USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 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 NoAdj-H: A 96 HIS HE2 : A 96 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 98 HIS HE2 : A 98 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 140 HIS HE2 : A 140 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD Single : A 1 SER N :NH3+ -152:sc= 0.38 (180deg=0.246) USER MOD Single : A 1 SER OG : rot 150:sc= -0.489 USER MOD Single : A 4 THR OG1 : rot 78:sc= 0.523 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 138:sc= -0.589 (180deg=-2.94!) USER MOD Single : A 12 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.52) USER MOD Single : A 13 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.6!) USER MOD Single : A 14 SER OG : rot 150:sc= -0.0259 USER MOD Single : A 17 HIS : no HE2:sc= 0.785 K(o=0.78,f=-3.5!) USER MOD Single : A 18 SER OG : rot 31:sc= 0.897 USER MOD Single : A 19 THR OG1 : rot 176:sc= 0.0885 USER MOD Single : A 20 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.0737 X(o=0.074,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.7!) USER MOD Single : A 27 GLN : amide:sc= -6.91! C(o=-6.9!,f=-8.9!) USER MOD Single : A 29 ASN :FLIP amide:sc= -5.06! C(o=-6!,f=-5.1!) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.44 (180deg=-1.4) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 75:sc= 0.299 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.041 F(o=-1.2,f=-0.041) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -1.89 F(o=-4!,f=-1.9) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 15:sc= -8.19! USER MOD Single : A 71 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.3) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.4! C(o=-4.4!,f=-16!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 149:sc= 0.21 (180deg=-0.739) USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= -0.0614 (180deg=-1.02) USER MOD Single : A 94 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.5!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 114 CYS SG : rot 3:sc= 0.756 USER MOD Single : A 116 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.55) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 CYS SG : rot 140:sc= -6.69! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 133 SER OG : rot -6:sc= 0.612 USER MOD Single : A 137 HIS : no HD1:sc=-0.00169 X(o=-0.0017,f=-0.057) USER MOD Single : A 138 THR OG1 : rot -110:sc= -0.712 USER MOD Single : A 144 MET CE :methyl 179:sc= 0 (180deg=-0.00217) USER MOD Single : A 146 SER OG : rot 180:sc= -0.813 USER MOD Single : A 149 ASN : amide:sc= -1.75! C(o=-1.7!,f=-8!) USER MOD Single : A 151 THR OG1 : rot -155:sc= -0.896 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.738 6.050 0.793 1.00 0.00 N ATOM 2 CA SER A 1 8.624 7.534 0.694 1.00 0.00 C ATOM 3 C SER A 1 8.969 8.168 2.043 1.00 0.00 C ATOM 4 O SER A 1 9.954 8.866 2.178 1.00 0.00 O ATOM 5 CB SER A 1 7.192 7.903 0.316 1.00 0.00 C ATOM 6 OG SER A 1 7.049 9.318 0.345 1.00 0.00 O ATOM 0 H1 SER A 1 8.976 5.657 -0.140 1.00 0.00 H new ATOM 0 H2 SER A 1 9.485 5.804 1.473 1.00 0.00 H new ATOM 0 H3 SER A 1 7.832 5.653 1.115 1.00 0.00 H new ATOM 0 HA SER A 1 9.314 7.901 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.956 7.522 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.490 7.440 1.010 1.00 0.00 H new ATOM 0 HG SER A 1 6.373 9.592 -0.310 1.00 0.00 H new ATOM 14 N ALA A 2 8.163 7.936 3.046 1.00 0.00 N ATOM 15 CA ALA A 2 8.452 8.537 4.388 1.00 0.00 C ATOM 16 C ALA A 2 7.980 7.593 5.496 1.00 0.00 C ATOM 17 O ALA A 2 7.105 6.781 5.284 1.00 0.00 O ATOM 18 CB ALA A 2 7.715 9.871 4.511 1.00 0.00 C ATOM 0 H ALA A 2 7.322 7.361 2.998 1.00 0.00 H new ATOM 0 HA ALA A 2 9.526 8.696 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.922 10.312 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.054 10.548 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.643 9.705 4.408 1.00 0.00 H new ATOM 24 N LEU A 3 8.532 7.692 6.684 1.00 0.00 N ATOM 25 CA LEU A 3 8.077 6.798 7.775 1.00 0.00 C ATOM 26 C LEU A 3 7.919 7.653 9.029 1.00 0.00 C ATOM 27 O LEU A 3 8.829 8.336 9.454 1.00 0.00 O ATOM 28 CB LEU A 3 9.121 5.698 7.991 1.00 0.00 C ATOM 29 CG LEU A 3 8.436 4.343 8.241 1.00 0.00 C ATOM 30 CD1 LEU A 3 7.325 4.477 9.288 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.829 3.832 6.934 1.00 0.00 C ATOM 0 H LEU A 3 9.270 8.350 6.935 1.00 0.00 H new ATOM 0 HA LEU A 3 7.128 6.320 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.770 5.628 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.756 5.953 8.840 1.00 0.00 H new ATOM 0 HG LEU A 3 9.184 3.642 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.856 3.506 9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.750 4.833 10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.577 5.188 8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.343 2.872 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.094 4.549 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.617 3.710 6.190 1.00 0.00 H new ATOM 43 N THR A 4 6.761 7.613 9.619 1.00 0.00 N ATOM 44 CA THR A 4 6.515 8.413 10.847 1.00 0.00 C ATOM 45 C THR A 4 5.853 7.521 11.890 1.00 0.00 C ATOM 46 O THR A 4 4.977 6.745 11.582 1.00 0.00 O ATOM 47 CB THR A 4 5.582 9.577 10.518 1.00 0.00 C ATOM 48 OG1 THR A 4 5.735 9.931 9.153 1.00 0.00 O ATOM 49 CG2 THR A 4 5.929 10.778 11.391 1.00 0.00 C ATOM 0 H THR A 4 5.968 7.056 9.301 1.00 0.00 H new ATOM 0 HA THR A 4 7.459 8.801 11.230 1.00 0.00 H new ATOM 0 HB THR A 4 4.551 9.277 10.708 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.247 9.292 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.261 11.606 11.153 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.814 10.510 12.441 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.960 11.078 11.204 1.00 0.00 H new ATOM 57 N ILE A 5 6.235 7.630 13.123 1.00 0.00 N ATOM 58 CA ILE A 5 5.574 6.795 14.159 1.00 0.00 C ATOM 59 C ILE A 5 5.433 7.622 15.425 1.00 0.00 C ATOM 60 O ILE A 5 6.425 8.007 16.010 1.00 0.00 O ATOM 61 CB ILE A 5 6.447 5.573 14.471 1.00 0.00 C ATOM 62 CG1 ILE A 5 6.918 4.917 13.168 1.00 0.00 C ATOM 63 CG2 ILE A 5 5.624 4.558 15.262 1.00 0.00 C ATOM 64 CD1 ILE A 5 7.930 3.813 13.485 1.00 0.00 C ATOM 0 H ILE A 5 6.969 8.253 13.460 1.00 0.00 H new ATOM 0 HA ILE A 5 4.599 6.467 13.799 1.00 0.00 H new ATOM 0 HB ILE A 5 7.313 5.893 15.050 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.066 4.500 12.630 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.372 5.664 12.516 1.00 0.00 H new ATOM 0 HG21 ILE A 5 6.239 3.687 15.487 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.284 5.012 16.193 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.761 4.250 14.672 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.264 3.348 12.557 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.787 4.243 14.004 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.461 3.061 14.120 1.00 0.00 H new ATOM 76 N PHE A 6 4.244 7.936 15.867 1.00 0.00 N ATOM 77 CA PHE A 6 4.087 8.760 17.096 1.00 0.00 C ATOM 78 C PHE A 6 3.499 7.881 18.193 1.00 0.00 C ATOM 79 O PHE A 6 3.074 6.772 17.938 1.00 0.00 O ATOM 80 CB PHE A 6 3.112 9.912 16.827 1.00 0.00 C ATOM 81 CG PHE A 6 2.928 10.123 15.338 1.00 0.00 C ATOM 82 CD1 PHE A 6 2.220 9.188 14.571 1.00 0.00 C ATOM 83 CD2 PHE A 6 3.458 11.265 14.726 1.00 0.00 C ATOM 84 CE1 PHE A 6 2.046 9.397 13.197 1.00 0.00 C ATOM 85 CE2 PHE A 6 3.282 11.472 13.356 1.00 0.00 C ATOM 86 CZ PHE A 6 2.578 10.538 12.591 1.00 0.00 C ATOM 0 H PHE A 6 3.370 7.654 15.424 1.00 0.00 H new ATOM 0 HA PHE A 6 5.056 9.161 17.394 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.149 9.696 17.290 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.488 10.827 17.285 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.808 8.306 15.039 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.004 11.987 15.314 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.501 8.676 12.606 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.690 12.355 12.887 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.445 10.698 11.531 1.00 0.00 H new ATOM 96 N SER A 7 3.443 8.358 19.408 1.00 0.00 N ATOM 97 CA SER A 7 2.849 7.525 20.488 1.00 0.00 C ATOM 98 C SER A 7 1.320 7.595 20.385 1.00 0.00 C ATOM 99 O SER A 7 0.759 8.577 19.937 1.00 0.00 O ATOM 100 CB SER A 7 3.288 8.059 21.855 1.00 0.00 C ATOM 101 OG SER A 7 4.705 8.008 21.951 1.00 0.00 O ATOM 0 H SER A 7 3.779 9.277 19.695 1.00 0.00 H new ATOM 0 HA SER A 7 3.185 6.494 20.381 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.941 9.084 21.986 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.837 7.466 22.651 1.00 0.00 H new ATOM 0 HG SER A 7 4.986 8.351 22.825 1.00 0.00 H new ATOM 107 N VAL A 8 0.645 6.558 20.794 1.00 0.00 N ATOM 108 CA VAL A 8 -0.846 6.560 20.717 1.00 0.00 C ATOM 109 C VAL A 8 -1.397 7.777 21.462 1.00 0.00 C ATOM 110 O VAL A 8 -2.512 8.203 21.235 1.00 0.00 O ATOM 111 CB VAL A 8 -1.400 5.283 21.359 1.00 0.00 C ATOM 112 CG1 VAL A 8 -1.115 5.295 22.860 1.00 0.00 C ATOM 113 CG2 VAL A 8 -2.913 5.210 21.139 1.00 0.00 C ATOM 0 H VAL A 8 1.059 5.709 21.178 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.149 6.602 19.671 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.920 4.418 20.901 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.510 4.386 23.313 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.039 5.345 23.026 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.592 6.163 23.314 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.304 4.301 21.597 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.389 6.079 21.594 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.125 5.198 20.070 1.00 0.00 H new ATOM 123 N LYS A 9 -0.627 8.344 22.350 1.00 0.00 N ATOM 124 CA LYS A 9 -1.110 9.534 23.103 1.00 0.00 C ATOM 125 C LYS A 9 -0.614 10.822 22.432 1.00 0.00 C ATOM 126 O LYS A 9 -1.234 11.861 22.542 1.00 0.00 O ATOM 127 CB LYS A 9 -0.580 9.467 24.535 1.00 0.00 C ATOM 128 CG LYS A 9 0.952 9.502 24.510 1.00 0.00 C ATOM 129 CD LYS A 9 1.501 9.271 25.920 1.00 0.00 C ATOM 130 CE LYS A 9 1.615 7.769 26.189 1.00 0.00 C ATOM 131 NZ LYS A 9 2.520 7.152 25.177 1.00 0.00 N ATOM 0 H LYS A 9 0.316 8.034 22.586 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.200 9.538 23.110 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.965 10.304 25.117 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.927 8.555 25.021 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.331 8.737 23.833 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.296 10.463 24.129 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.478 9.744 26.022 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.844 9.733 26.657 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.003 7.597 27.193 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.630 7.304 26.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.146 6.466 25.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.952 6.666 24.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.094 7.893 24.726 1.00 0.00 H new ATOM 145 N ASP A 10 0.510 10.763 21.761 1.00 0.00 N ATOM 146 CA ASP A 10 1.062 11.985 21.094 1.00 0.00 C ATOM 147 C ASP A 10 1.090 11.804 19.567 1.00 0.00 C ATOM 148 O ASP A 10 2.098 11.419 19.008 1.00 0.00 O ATOM 149 CB ASP A 10 2.484 12.231 21.600 1.00 0.00 C ATOM 150 CG ASP A 10 3.017 13.543 21.020 1.00 0.00 C ATOM 151 OD1 ASP A 10 3.070 13.655 19.807 1.00 0.00 O ATOM 152 OD2 ASP A 10 3.366 14.413 21.802 1.00 0.00 O ATOM 0 H ASP A 10 1.071 9.919 21.646 1.00 0.00 H new ATOM 0 HA ASP A 10 0.424 12.836 21.333 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.491 12.274 22.689 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.132 11.404 21.310 1.00 0.00 H new ATOM 157 N PRO A 11 0.004 12.092 18.898 1.00 0.00 N ATOM 158 CA PRO A 11 -0.091 11.973 17.422 1.00 0.00 C ATOM 159 C PRO A 11 0.340 13.257 16.701 1.00 0.00 C ATOM 160 O PRO A 11 0.462 13.288 15.494 1.00 0.00 O ATOM 161 CB PRO A 11 -1.574 11.708 17.201 1.00 0.00 C ATOM 162 CG PRO A 11 -2.278 12.394 18.333 1.00 0.00 C ATOM 163 CD PRO A 11 -1.263 12.562 19.473 1.00 0.00 C ATOM 0 HA PRO A 11 0.565 11.198 17.026 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.903 12.100 16.239 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.785 10.639 17.198 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.661 13.364 18.015 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.134 11.806 18.665 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.193 13.601 19.795 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.545 11.976 20.348 1.00 0.00 H new ATOM 171 N GLN A 12 0.547 14.320 17.429 1.00 0.00 N ATOM 172 CA GLN A 12 0.940 15.606 16.781 1.00 0.00 C ATOM 173 C GLN A 12 2.466 15.707 16.660 1.00 0.00 C ATOM 174 O GLN A 12 2.979 16.411 15.814 1.00 0.00 O ATOM 175 CB GLN A 12 0.424 16.761 17.641 1.00 0.00 C ATOM 176 CG GLN A 12 0.709 18.095 16.950 1.00 0.00 C ATOM 177 CD GLN A 12 -0.157 18.213 15.697 1.00 0.00 C ATOM 178 OE1 GLN A 12 -1.350 17.991 15.745 1.00 0.00 O ATOM 179 NE2 GLN A 12 0.400 18.556 14.569 1.00 0.00 N ATOM 0 H GLN A 12 0.461 14.355 18.445 1.00 0.00 H new ATOM 0 HA GLN A 12 0.510 15.650 15.780 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.647 16.650 17.808 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.903 16.739 18.620 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.499 18.921 17.629 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.764 18.161 16.684 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.402 18.742 14.531 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.166 18.638 13.725 1.00 0.00 H new ATOM 188 N ASN A 13 3.192 15.010 17.490 1.00 0.00 N ATOM 189 CA ASN A 13 4.682 15.071 17.413 1.00 0.00 C ATOM 190 C ASN A 13 5.259 13.658 17.374 1.00 0.00 C ATOM 191 O ASN A 13 5.213 12.950 18.355 1.00 0.00 O ATOM 192 CB ASN A 13 5.215 15.792 18.649 1.00 0.00 C ATOM 193 CG ASN A 13 4.652 17.211 18.686 1.00 0.00 C ATOM 194 OD1 ASN A 13 4.171 17.712 17.689 1.00 0.00 O ATOM 195 ND2 ASN A 13 4.687 17.885 19.802 1.00 0.00 N ATOM 0 H ASN A 13 2.820 14.401 18.218 1.00 0.00 H new ATOM 0 HA ASN A 13 4.975 15.605 16.509 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.929 15.251 19.551 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.304 15.821 18.626 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.311 18.832 19.838 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.091 17.465 20.639 1.00 0.00 H new ATOM 202 N SER A 14 5.792 13.220 16.263 1.00 0.00 N ATOM 203 CA SER A 14 6.353 11.840 16.214 1.00 0.00 C ATOM 204 C SER A 14 7.667 11.761 16.991 1.00 0.00 C ATOM 205 O SER A 14 8.539 12.593 16.848 1.00 0.00 O ATOM 206 CB SER A 14 6.617 11.457 14.759 1.00 0.00 C ATOM 207 OG SER A 14 7.967 11.766 14.432 1.00 0.00 O ATOM 0 H SER A 14 5.862 13.753 15.396 1.00 0.00 H new ATOM 0 HA SER A 14 5.634 11.156 16.665 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.428 10.394 14.610 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.938 11.997 14.099 1.00 0.00 H new ATOM 0 HG SER A 14 8.290 11.141 13.750 1.00 0.00 H new ATOM 213 N LEU A 15 7.814 10.744 17.793 1.00 0.00 N ATOM 214 CA LEU A 15 9.073 10.572 18.569 1.00 0.00 C ATOM 215 C LEU A 15 10.061 9.766 17.724 1.00 0.00 C ATOM 216 O LEU A 15 11.061 9.287 18.220 1.00 0.00 O ATOM 217 CB LEU A 15 8.791 9.798 19.863 1.00 0.00 C ATOM 218 CG LEU A 15 8.019 10.676 20.850 1.00 0.00 C ATOM 219 CD1 LEU A 15 6.627 10.966 20.297 1.00 0.00 C ATOM 220 CD2 LEU A 15 7.890 9.942 22.189 1.00 0.00 C ATOM 0 H LEU A 15 7.112 10.020 17.945 1.00 0.00 H new ATOM 0 HA LEU A 15 9.483 11.551 18.815 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.217 8.899 19.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.729 9.473 20.312 1.00 0.00 H new ATOM 0 HG LEU A 15 8.554 11.614 20.995 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.079 11.591 21.001 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.716 11.486 19.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.091 10.028 20.151 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.340 10.565 22.894 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.355 9.004 22.040 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.883 9.733 22.587 1.00 0.00 H new ATOM 232 N TRP A 16 9.824 9.663 16.439 1.00 0.00 N ATOM 233 CA TRP A 16 10.795 8.951 15.562 1.00 0.00 C ATOM 234 C TRP A 16 10.496 9.240 14.076 1.00 0.00 C ATOM 235 O TRP A 16 9.527 8.742 13.544 1.00 0.00 O ATOM 236 CB TRP A 16 10.720 7.441 15.820 1.00 0.00 C ATOM 237 CG TRP A 16 11.681 6.738 14.910 1.00 0.00 C ATOM 238 CD1 TRP A 16 12.986 6.502 15.174 1.00 0.00 C ATOM 239 CD2 TRP A 16 11.426 6.181 13.596 1.00 0.00 C ATOM 240 NE1 TRP A 16 13.552 5.847 14.089 1.00 0.00 N ATOM 241 CE2 TRP A 16 12.626 5.627 13.089 1.00 0.00 C ATOM 242 CE3 TRP A 16 10.280 6.113 12.804 1.00 0.00 C ATOM 243 CZ2 TRP A 16 12.675 5.024 11.826 1.00 0.00 C ATOM 244 CZ3 TRP A 16 10.320 5.511 11.545 1.00 0.00 C ATOM 245 CH2 TRP A 16 11.511 4.968 11.049 1.00 0.00 C ATOM 0 H TRP A 16 9.004 10.040 15.965 1.00 0.00 H new ATOM 0 HA TRP A 16 11.798 9.309 15.793 1.00 0.00 H new ATOM 0 HB2 TRP A 16 10.962 7.225 16.861 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.706 7.080 15.647 1.00 0.00 H new ATOM 0 HD1 TRP A 16 13.503 6.778 16.081 1.00 0.00 H new ATOM 0 HE1 TRP A 16 14.530 5.563 14.037 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.353 6.530 13.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 13.600 4.607 11.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 9.422 5.464 10.947 1.00 0.00 H new ATOM 0 HH2 TRP A 16 11.532 4.508 10.072 1.00 0.00 H new ATOM 256 N HIS A 17 11.307 10.013 13.393 1.00 0.00 N ATOM 257 CA HIS A 17 11.033 10.274 11.937 1.00 0.00 C ATOM 258 C HIS A 17 12.286 9.983 11.142 1.00 0.00 C ATOM 259 O HIS A 17 13.347 10.523 11.395 1.00 0.00 O ATOM 260 CB HIS A 17 10.624 11.714 11.694 1.00 0.00 C ATOM 261 CG HIS A 17 10.446 11.943 10.214 1.00 0.00 C ATOM 262 ND1 HIS A 17 9.898 10.979 9.377 1.00 0.00 N ATOM 263 CD2 HIS A 17 10.721 13.024 9.407 1.00 0.00 C ATOM 264 CE1 HIS A 17 9.857 11.490 8.131 1.00 0.00 C ATOM 265 NE2 HIS A 17 10.347 12.732 8.098 1.00 0.00 N ATOM 0 H HIS A 17 12.137 10.470 13.771 1.00 0.00 H new ATOM 0 HA HIS A 17 10.213 9.628 11.625 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.695 11.933 12.221 1.00 0.00 H new ATOM 0 HB3 HIS A 17 11.382 12.390 12.089 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.583 10.050 9.656 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.159 13.954 9.738 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.476 10.963 7.269 1.00 0.00 H new ATOM 274 N SER A 18 12.162 9.117 10.194 1.00 0.00 N ATOM 275 CA SER A 18 13.341 8.748 9.364 1.00 0.00 C ATOM 276 C SER A 18 12.893 8.127 8.047 1.00 0.00 C ATOM 277 O SER A 18 12.103 7.202 8.040 1.00 0.00 O ATOM 278 CB SER A 18 14.183 7.730 10.124 1.00 0.00 C ATOM 279 OG SER A 18 15.106 8.409 10.962 1.00 0.00 O ATOM 0 H SER A 18 11.293 8.641 9.950 1.00 0.00 H new ATOM 0 HA SER A 18 13.921 9.647 9.156 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.540 7.084 10.722 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.716 7.088 9.423 1.00 0.00 H new ATOM 0 HG SER A 18 14.721 9.264 11.248 1.00 0.00 H new ATOM 285 N THR A 19 13.402 8.589 6.941 1.00 0.00 N ATOM 286 CA THR A 19 13.001 7.956 5.656 1.00 0.00 C ATOM 287 C THR A 19 14.244 7.614 4.832 1.00 0.00 C ATOM 288 O THR A 19 14.758 8.429 4.095 1.00 0.00 O ATOM 289 CB THR A 19 12.155 8.976 4.902 1.00 0.00 C ATOM 290 OG1 THR A 19 11.661 8.402 3.700 1.00 0.00 O ATOM 291 CG2 THR A 19 13.009 10.205 4.582 1.00 0.00 C ATOM 0 H THR A 19 14.065 9.361 6.870 1.00 0.00 H new ATOM 0 HA THR A 19 12.444 7.036 5.835 1.00 0.00 H new ATOM 0 HB THR A 19 11.309 9.274 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.062 9.038 3.256 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.407 10.936 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 19 13.372 10.647 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.857 9.908 3.965 1.00 0.00 H new ATOM 299 N ASN A 20 14.704 6.390 4.912 1.00 0.00 N ATOM 300 CA ASN A 20 15.873 5.959 4.095 1.00 0.00 C ATOM 301 C ASN A 20 15.592 4.563 3.526 1.00 0.00 C ATOM 302 O ASN A 20 14.844 3.807 4.115 1.00 0.00 O ATOM 303 CB ASN A 20 17.140 5.959 4.937 1.00 0.00 C ATOM 304 CG ASN A 20 18.217 6.741 4.185 1.00 0.00 C ATOM 305 OD1 ASN A 20 18.632 7.796 4.618 1.00 0.00 O ATOM 306 ND2 ASN A 20 18.674 6.274 3.056 1.00 0.00 N ATOM 0 H ASN A 20 14.313 5.666 5.515 1.00 0.00 H new ATOM 0 HA ASN A 20 16.025 6.658 3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.950 6.414 5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.472 4.938 5.123 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.380 6.796 2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.325 5.387 2.692 1.00 0.00 H new ATOM 313 N ALA A 21 16.153 4.186 2.404 1.00 0.00 N ATOM 314 CA ALA A 21 15.834 2.814 1.897 1.00 0.00 C ATOM 315 C ALA A 21 16.153 1.777 2.991 1.00 0.00 C ATOM 316 O ALA A 21 15.302 1.004 3.379 1.00 0.00 O ATOM 317 CB ALA A 21 16.692 2.509 0.661 1.00 0.00 C ATOM 0 H ALA A 21 16.793 4.742 1.836 1.00 0.00 H new ATOM 0 HA ALA A 21 14.777 2.766 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 16.458 1.510 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.480 3.241 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.747 2.559 0.929 1.00 0.00 H new ATOM 323 N GLU A 22 17.364 1.739 3.491 1.00 0.00 N ATOM 324 CA GLU A 22 17.706 0.733 4.544 1.00 0.00 C ATOM 325 C GLU A 22 16.981 1.056 5.856 1.00 0.00 C ATOM 326 O GLU A 22 16.699 0.176 6.639 1.00 0.00 O ATOM 327 CB GLU A 22 19.216 0.730 4.793 1.00 0.00 C ATOM 328 CG GLU A 22 19.955 0.295 3.522 1.00 0.00 C ATOM 329 CD GLU A 22 19.565 -1.140 3.158 1.00 0.00 C ATOM 330 OE1 GLU A 22 19.070 -1.838 4.028 1.00 0.00 O ATOM 331 OE2 GLU A 22 19.775 -1.519 2.018 1.00 0.00 O ATOM 0 H GLU A 22 18.127 2.358 3.217 1.00 0.00 H new ATOM 0 HA GLU A 22 17.388 -0.249 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.546 1.725 5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.457 0.054 5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.710 0.967 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.032 0.360 3.677 1.00 0.00 H new ATOM 338 N GLU A 23 16.713 2.303 6.129 1.00 0.00 N ATOM 339 CA GLU A 23 16.034 2.644 7.418 1.00 0.00 C ATOM 340 C GLU A 23 14.568 2.194 7.372 1.00 0.00 C ATOM 341 O GLU A 23 14.089 1.543 8.278 1.00 0.00 O ATOM 342 CB GLU A 23 16.103 4.152 7.664 1.00 0.00 C ATOM 343 CG GLU A 23 17.533 4.550 8.056 1.00 0.00 C ATOM 344 CD GLU A 23 18.547 3.753 7.230 1.00 0.00 C ATOM 345 OE1 GLU A 23 18.623 2.549 7.421 1.00 0.00 O ATOM 346 OE2 GLU A 23 19.237 4.359 6.428 1.00 0.00 O ATOM 0 H GLU A 23 16.931 3.095 5.525 1.00 0.00 H new ATOM 0 HA GLU A 23 16.542 2.127 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.799 4.690 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.408 4.433 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.679 5.618 7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.692 4.365 9.118 1.00 0.00 H new ATOM 353 N ILE A 24 13.844 2.524 6.334 1.00 0.00 N ATOM 354 CA ILE A 24 12.417 2.099 6.256 1.00 0.00 C ATOM 355 C ILE A 24 12.340 0.571 6.232 1.00 0.00 C ATOM 356 O ILE A 24 11.482 -0.024 6.852 1.00 0.00 O ATOM 357 CB ILE A 24 11.800 2.672 4.977 1.00 0.00 C ATOM 358 CG1 ILE A 24 11.892 4.200 5.006 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.339 2.264 4.913 1.00 0.00 C ATOM 360 CD1 ILE A 24 11.372 4.777 3.687 1.00 0.00 C ATOM 0 H ILE A 24 14.179 3.068 5.539 1.00 0.00 H new ATOM 0 HA ILE A 24 11.870 2.468 7.124 1.00 0.00 H new ATOM 0 HB ILE A 24 12.335 2.292 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.310 4.593 5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.925 4.508 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.888 2.666 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.265 1.177 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.813 2.656 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.440 5.865 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.973 4.396 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.332 4.482 3.546 1.00 0.00 H new ATOM 372 N GLN A 25 13.227 -0.073 5.530 1.00 0.00 N ATOM 373 CA GLN A 25 13.191 -1.561 5.486 1.00 0.00 C ATOM 374 C GLN A 25 13.562 -2.148 6.856 1.00 0.00 C ATOM 375 O GLN A 25 12.997 -3.126 7.284 1.00 0.00 O ATOM 376 CB GLN A 25 14.179 -2.066 4.436 1.00 0.00 C ATOM 377 CG GLN A 25 13.998 -3.574 4.259 1.00 0.00 C ATOM 378 CD GLN A 25 15.083 -4.120 3.327 1.00 0.00 C ATOM 379 OE1 GLN A 25 16.228 -4.247 3.716 1.00 0.00 O ATOM 380 NE2 GLN A 25 14.767 -4.447 2.105 1.00 0.00 N ATOM 0 H GLN A 25 13.972 0.363 4.987 1.00 0.00 H new ATOM 0 HA GLN A 25 12.181 -1.878 5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.014 -1.554 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.201 -1.844 4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.052 -4.072 5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.011 -3.785 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.806 -4.340 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.481 -4.810 1.473 1.00 0.00 H new ATOM 389 N GLN A 26 14.522 -1.574 7.532 1.00 0.00 N ATOM 390 CA GLN A 26 14.940 -2.115 8.866 1.00 0.00 C ATOM 391 C GLN A 26 13.815 -1.974 9.901 1.00 0.00 C ATOM 392 O GLN A 26 13.523 -2.896 10.634 1.00 0.00 O ATOM 393 CB GLN A 26 16.173 -1.353 9.361 1.00 0.00 C ATOM 394 CG GLN A 26 17.408 -1.790 8.567 1.00 0.00 C ATOM 395 CD GLN A 26 17.928 -3.120 9.124 1.00 0.00 C ATOM 396 OE1 GLN A 26 17.816 -3.381 10.305 1.00 0.00 O ATOM 397 NE2 GLN A 26 18.506 -3.971 8.320 1.00 0.00 N ATOM 0 H GLN A 26 15.038 -0.751 7.220 1.00 0.00 H new ATOM 0 HA GLN A 26 15.170 -3.174 8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 26 16.018 -0.280 9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.327 -1.543 10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.156 -1.899 7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 26 18.184 -1.028 8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 26 18.600 -3.752 7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.863 -4.854 8.684 1.00 0.00 H new ATOM 406 N GLN A 27 13.194 -0.826 9.982 1.00 0.00 N ATOM 407 CA GLN A 27 12.105 -0.632 10.988 1.00 0.00 C ATOM 408 C GLN A 27 10.891 -1.487 10.618 1.00 0.00 C ATOM 409 O GLN A 27 10.278 -2.121 11.455 1.00 0.00 O ATOM 410 CB GLN A 27 11.699 0.844 10.998 1.00 0.00 C ATOM 411 CG GLN A 27 12.871 1.695 11.493 1.00 0.00 C ATOM 412 CD GLN A 27 12.492 2.363 12.817 1.00 0.00 C ATOM 413 OE1 GLN A 27 11.448 2.974 12.925 1.00 0.00 O ATOM 414 NE2 GLN A 27 13.305 2.275 13.834 1.00 0.00 N ATOM 0 H GLN A 27 13.393 -0.015 9.396 1.00 0.00 H new ATOM 0 HA GLN A 27 12.463 -0.931 11.973 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.406 1.158 9.996 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.833 0.989 11.644 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.755 1.072 11.627 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.124 2.452 10.751 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.182 1.762 13.743 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.064 2.719 14.720 1.00 0.00 H new ATOM 423 N LEU A 28 10.539 -1.496 9.367 1.00 0.00 N ATOM 424 CA LEU A 28 9.362 -2.293 8.929 1.00 0.00 C ATOM 425 C LEU A 28 9.653 -3.788 9.134 1.00 0.00 C ATOM 426 O LEU A 28 8.789 -4.557 9.506 1.00 0.00 O ATOM 427 CB LEU A 28 9.085 -1.996 7.451 1.00 0.00 C ATOM 428 CG LEU A 28 8.623 -0.541 7.304 1.00 0.00 C ATOM 429 CD1 LEU A 28 8.463 -0.195 5.824 1.00 0.00 C ATOM 430 CD2 LEU A 28 7.276 -0.360 8.008 1.00 0.00 C ATOM 0 H LEU A 28 11.016 -0.984 8.625 1.00 0.00 H new ATOM 0 HA LEU A 28 8.484 -2.026 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.985 -2.165 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.320 -2.673 7.069 1.00 0.00 H new ATOM 0 HG LEU A 28 9.367 0.117 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.135 0.840 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.419 -0.322 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.722 -0.855 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.947 0.674 7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.538 -1.023 7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.383 -0.602 9.065 1.00 0.00 H new ATOM 442 N ASN A 29 10.869 -4.196 8.918 1.00 0.00 N ATOM 443 CA ASN A 29 11.234 -5.630 9.115 1.00 0.00 C ATOM 444 C ASN A 29 11.170 -5.980 10.603 1.00 0.00 C ATOM 445 O ASN A 29 10.817 -7.080 10.979 1.00 0.00 O ATOM 446 CB ASN A 29 12.652 -5.874 8.594 1.00 0.00 C ATOM 447 CG ASN A 29 12.673 -5.690 7.078 1.00 0.00 C ATOM 448 OD1 ASN A 29 11.607 -5.240 6.477 1.00 0.00 O flip ATOM 449 ND2 ASN A 29 13.669 -5.953 6.435 1.00 0.00 N flip ATOM 0 H ASN A 29 11.634 -3.596 8.611 1.00 0.00 H new ATOM 0 HA ASN A 29 10.532 -6.258 8.566 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.349 -5.181 9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.979 -6.881 8.854 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.502 -6.305 6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.672 -5.822 5.423 1.00 0.00 H new ATOM 456 N ALA A 30 11.526 -5.055 11.453 1.00 0.00 N ATOM 457 CA ALA A 30 11.505 -5.341 12.914 1.00 0.00 C ATOM 458 C ALA A 30 10.091 -5.744 13.329 1.00 0.00 C ATOM 459 O ALA A 30 9.897 -6.405 14.329 1.00 0.00 O ATOM 460 CB ALA A 30 11.931 -4.094 13.695 1.00 0.00 C ATOM 0 H ALA A 30 11.830 -4.115 11.198 1.00 0.00 H new ATOM 0 HA ALA A 30 12.198 -6.153 13.133 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.913 -4.310 14.763 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.940 -3.807 13.399 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.243 -3.277 13.479 1.00 0.00 H new ATOM 466 N LYS A 31 9.103 -5.362 12.567 1.00 0.00 N ATOM 467 CA LYS A 31 7.706 -5.737 12.918 1.00 0.00 C ATOM 468 C LYS A 31 7.242 -6.887 12.020 1.00 0.00 C ATOM 469 O LYS A 31 6.091 -7.274 12.037 1.00 0.00 O ATOM 470 CB LYS A 31 6.795 -4.526 12.720 1.00 0.00 C ATOM 471 CG LYS A 31 7.148 -3.462 13.757 1.00 0.00 C ATOM 472 CD LYS A 31 6.164 -2.299 13.652 1.00 0.00 C ATOM 473 CE LYS A 31 6.405 -1.324 14.805 1.00 0.00 C ATOM 474 NZ LYS A 31 7.842 -0.934 14.835 1.00 0.00 N ATOM 0 H LYS A 31 9.204 -4.807 11.717 1.00 0.00 H new ATOM 0 HA LYS A 31 7.663 -6.058 13.959 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.915 -4.125 11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.750 -4.820 12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.115 -3.891 14.759 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.166 -3.106 13.596 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.288 -1.788 12.697 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.140 -2.671 13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.780 -0.439 14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.123 -1.786 15.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.948 -0.039 15.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.393 -1.677 15.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.189 -0.814 13.862 1.00 0.00 H new ATOM 488 N GLY A 32 8.130 -7.438 11.238 1.00 0.00 N ATOM 489 CA GLY A 32 7.733 -8.564 10.345 1.00 0.00 C ATOM 490 C GLY A 32 7.050 -8.009 9.093 1.00 0.00 C ATOM 491 O GLY A 32 6.307 -8.696 8.422 1.00 0.00 O ATOM 0 H GLY A 32 9.109 -7.159 11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.611 -9.146 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.058 -9.238 10.871 1.00 0.00 H new ATOM 495 N VAL A 33 7.300 -6.768 8.776 1.00 0.00 N ATOM 496 CA VAL A 33 6.669 -6.164 7.567 1.00 0.00 C ATOM 497 C VAL A 33 7.707 -6.089 6.443 1.00 0.00 C ATOM 498 O VAL A 33 8.796 -5.582 6.622 1.00 0.00 O ATOM 499 CB VAL A 33 6.169 -4.756 7.914 1.00 0.00 C ATOM 500 CG1 VAL A 33 5.457 -4.139 6.710 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.193 -4.838 9.091 1.00 0.00 C ATOM 0 H VAL A 33 7.914 -6.146 9.302 1.00 0.00 H new ATOM 0 HA VAL A 33 5.828 -6.774 7.238 1.00 0.00 H new ATOM 0 HB VAL A 33 7.022 -4.133 8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.106 -3.140 6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.150 -4.075 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.607 -4.762 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.837 -3.838 9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.346 -5.468 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.700 -5.267 9.955 1.00 0.00 H new ATOM 511 N ARG A 34 7.380 -6.604 5.285 1.00 0.00 N ATOM 512 CA ARG A 34 8.352 -6.578 4.157 1.00 0.00 C ATOM 513 C ARG A 34 8.268 -5.234 3.437 1.00 0.00 C ATOM 514 O ARG A 34 7.207 -4.659 3.294 1.00 0.00 O ATOM 515 CB ARG A 34 8.009 -7.694 3.164 1.00 0.00 C ATOM 516 CG ARG A 34 8.131 -9.055 3.852 1.00 0.00 C ATOM 517 CD ARG A 34 7.870 -10.166 2.832 1.00 0.00 C ATOM 518 NE ARG A 34 6.531 -9.962 2.208 1.00 0.00 N ATOM 519 CZ ARG A 34 6.226 -10.578 1.097 1.00 0.00 C ATOM 520 NH1 ARG A 34 7.091 -11.375 0.534 1.00 0.00 N ATOM 521 NH2 ARG A 34 5.055 -10.395 0.551 1.00 0.00 N ATOM 0 H ARG A 34 6.482 -7.040 5.075 1.00 0.00 H new ATOM 0 HA ARG A 34 9.359 -6.723 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.996 -7.557 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.680 -7.649 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.125 -9.169 4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.417 -9.125 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.645 -10.160 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.911 -11.140 3.320 1.00 0.00 H new ATOM 0 HE ARG A 34 5.853 -9.341 2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.006 -11.518 0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.852 -11.856 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.379 -9.771 0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.816 -10.876 -0.316 1.00 0.00 H new ATOM 535 N PHE A 35 9.378 -4.727 2.982 1.00 0.00 N ATOM 536 CA PHE A 35 9.369 -3.421 2.270 1.00 0.00 C ATOM 537 C PHE A 35 10.542 -3.406 1.291 1.00 0.00 C ATOM 538 O PHE A 35 11.681 -3.591 1.674 1.00 0.00 O ATOM 539 CB PHE A 35 9.526 -2.292 3.293 1.00 0.00 C ATOM 540 CG PHE A 35 9.315 -0.953 2.625 1.00 0.00 C ATOM 541 CD1 PHE A 35 10.391 -0.298 2.015 1.00 0.00 C ATOM 542 CD2 PHE A 35 8.043 -0.364 2.620 1.00 0.00 C ATOM 543 CE1 PHE A 35 10.197 0.945 1.401 1.00 0.00 C ATOM 544 CE2 PHE A 35 7.850 0.880 2.006 1.00 0.00 C ATOM 545 CZ PHE A 35 8.927 1.534 1.398 1.00 0.00 C ATOM 0 H PHE A 35 10.295 -5.163 3.073 1.00 0.00 H new ATOM 0 HA PHE A 35 8.433 -3.281 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 35 8.807 -2.421 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.519 -2.332 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.371 -0.752 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.212 -0.869 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.027 1.450 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.870 1.334 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.779 2.494 0.926 1.00 0.00 H new ATOM 555 N GLU A 36 10.281 -3.200 0.030 1.00 0.00 N ATOM 556 CA GLU A 36 11.388 -3.193 -0.964 1.00 0.00 C ATOM 557 C GLU A 36 11.159 -2.046 -1.944 1.00 0.00 C ATOM 558 O GLU A 36 10.105 -1.441 -1.965 1.00 0.00 O ATOM 559 CB GLU A 36 11.390 -4.514 -1.736 1.00 0.00 C ATOM 560 CG GLU A 36 11.076 -5.669 -0.785 1.00 0.00 C ATOM 561 CD GLU A 36 11.272 -6.999 -1.516 1.00 0.00 C ATOM 562 OE1 GLU A 36 11.557 -6.963 -2.702 1.00 0.00 O ATOM 563 OE2 GLU A 36 11.129 -8.030 -0.881 1.00 0.00 O ATOM 0 H GLU A 36 9.350 -3.037 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 36 12.342 -3.069 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.651 -4.479 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.361 -4.671 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.727 -5.622 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.051 -5.588 -0.423 1.00 0.00 H new ATOM 570 N ARG A 37 12.132 -1.737 -2.752 1.00 0.00 N ATOM 571 CA ARG A 37 11.962 -0.624 -3.726 1.00 0.00 C ATOM 572 C ARG A 37 11.753 -1.190 -5.130 1.00 0.00 C ATOM 573 O ARG A 37 12.642 -1.788 -5.704 1.00 0.00 O ATOM 574 CB ARG A 37 13.220 0.247 -3.716 1.00 0.00 C ATOM 575 CG ARG A 37 13.384 0.899 -2.341 1.00 0.00 C ATOM 576 CD ARG A 37 12.602 2.214 -2.301 1.00 0.00 C ATOM 577 NE ARG A 37 13.271 3.210 -3.184 1.00 0.00 N ATOM 578 CZ ARG A 37 12.994 4.480 -3.064 1.00 0.00 C ATOM 579 NH1 ARG A 37 12.122 4.878 -2.178 1.00 0.00 N ATOM 580 NH2 ARG A 37 13.586 5.351 -3.834 1.00 0.00 N ATOM 0 H ARG A 37 13.037 -2.206 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 37 11.094 -0.028 -3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.096 -0.359 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.149 1.014 -4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.024 0.226 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.439 1.085 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.576 2.051 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.553 2.591 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 37 13.946 2.899 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.656 4.196 -1.579 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.906 5.871 -2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.265 5.039 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.370 6.344 -3.741 1.00 0.00 H new ATOM 594 N TRP A 38 10.583 -1.022 -5.689 1.00 0.00 N ATOM 595 CA TRP A 38 10.327 -1.569 -7.051 1.00 0.00 C ATOM 596 C TRP A 38 10.475 -0.450 -8.082 1.00 0.00 C ATOM 597 O TRP A 38 10.177 0.698 -7.818 1.00 0.00 O ATOM 598 CB TRP A 38 8.897 -2.109 -7.133 1.00 0.00 C ATOM 599 CG TRP A 38 8.724 -3.309 -6.254 1.00 0.00 C ATOM 600 CD1 TRP A 38 8.737 -3.299 -4.901 1.00 0.00 C ATOM 601 CD2 TRP A 38 8.483 -4.688 -6.647 1.00 0.00 C ATOM 602 NE1 TRP A 38 8.514 -4.580 -4.441 1.00 0.00 N ATOM 603 CE2 TRP A 38 8.353 -5.472 -5.477 1.00 0.00 C ATOM 604 CE3 TRP A 38 8.368 -5.330 -7.890 1.00 0.00 C ATOM 605 CZ2 TRP A 38 8.111 -6.839 -5.538 1.00 0.00 C ATOM 606 CZ3 TRP A 38 8.130 -6.712 -7.955 1.00 0.00 C ATOM 607 CH2 TRP A 38 7.999 -7.465 -6.780 1.00 0.00 C ATOM 0 H TRP A 38 9.797 -0.531 -5.262 1.00 0.00 H new ATOM 0 HA TRP A 38 11.040 -2.369 -7.251 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.193 -1.331 -6.835 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.663 -2.373 -8.164 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.896 -2.429 -4.282 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.473 -4.835 -3.454 1.00 0.00 H new ATOM 0 HE3 TRP A 38 8.463 -4.758 -8.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.010 -7.414 -4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.047 -7.198 -8.916 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.812 -8.527 -6.836 1.00 0.00 H new ATOM 618 N GLN A 39 10.934 -0.781 -9.255 1.00 0.00 N ATOM 619 CA GLN A 39 11.106 0.253 -10.312 1.00 0.00 C ATOM 620 C GLN A 39 9.888 0.253 -11.238 1.00 0.00 C ATOM 621 O GLN A 39 9.583 -0.735 -11.874 1.00 0.00 O ATOM 622 CB GLN A 39 12.367 -0.061 -11.114 1.00 0.00 C ATOM 623 CG GLN A 39 13.574 0.005 -10.180 1.00 0.00 C ATOM 624 CD GLN A 39 14.858 -0.212 -10.977 1.00 0.00 C ATOM 625 OE1 GLN A 39 15.203 -1.330 -11.305 1.00 0.00 O ATOM 626 NE2 GLN A 39 15.587 0.819 -11.304 1.00 0.00 N ATOM 0 H GLN A 39 11.199 -1.727 -9.529 1.00 0.00 H new ATOM 0 HA GLN A 39 11.200 1.237 -9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.291 -1.051 -11.564 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.482 0.652 -11.930 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.605 0.973 -9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.485 -0.754 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.297 1.757 -11.028 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.448 0.687 -11.836 1.00 0.00 H new ATOM 635 N ALA A 40 9.192 1.355 -11.321 1.00 0.00 N ATOM 636 CA ALA A 40 7.996 1.426 -12.205 1.00 0.00 C ATOM 637 C ALA A 40 8.373 2.159 -13.506 1.00 0.00 C ATOM 638 O ALA A 40 7.849 3.208 -13.828 1.00 0.00 O ATOM 639 CB ALA A 40 6.882 2.169 -11.456 1.00 0.00 C ATOM 0 H ALA A 40 9.403 2.213 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 40 7.644 0.428 -12.464 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.997 2.231 -12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.637 1.630 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.220 3.175 -11.206 1.00 0.00 H new ATOM 645 N ASP A 41 9.291 1.611 -14.252 1.00 0.00 N ATOM 646 CA ASP A 41 9.723 2.259 -15.522 1.00 0.00 C ATOM 647 C ASP A 41 8.951 1.658 -16.699 1.00 0.00 C ATOM 648 O ASP A 41 9.163 2.019 -17.840 1.00 0.00 O ATOM 649 CB ASP A 41 11.222 2.035 -15.726 1.00 0.00 C ATOM 650 CG ASP A 41 12.004 2.793 -14.650 1.00 0.00 C ATOM 651 OD1 ASP A 41 11.411 3.636 -13.997 1.00 0.00 O ATOM 652 OD2 ASP A 41 13.183 2.518 -14.499 1.00 0.00 O ATOM 0 H ASP A 41 9.765 0.734 -14.034 1.00 0.00 H new ATOM 0 HA ASP A 41 9.519 3.328 -15.467 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.451 0.971 -15.675 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.520 2.378 -16.717 1.00 0.00 H new ATOM 657 N ARG A 42 8.070 0.730 -16.438 1.00 0.00 N ATOM 658 CA ARG A 42 7.308 0.101 -17.554 1.00 0.00 C ATOM 659 C ARG A 42 6.055 0.924 -17.853 1.00 0.00 C ATOM 660 O ARG A 42 5.268 1.218 -16.977 1.00 0.00 O ATOM 661 CB ARG A 42 6.894 -1.315 -17.146 1.00 0.00 C ATOM 662 CG ARG A 42 8.146 -2.182 -16.969 1.00 0.00 C ATOM 663 CD ARG A 42 8.261 -3.176 -18.131 1.00 0.00 C ATOM 664 NE ARG A 42 8.647 -2.441 -19.367 1.00 0.00 N ATOM 665 CZ ARG A 42 9.902 -2.169 -19.596 1.00 0.00 C ATOM 666 NH1 ARG A 42 10.816 -2.553 -18.748 1.00 0.00 N ATOM 667 NH2 ARG A 42 10.244 -1.514 -20.673 1.00 0.00 N ATOM 0 H ARG A 42 7.846 0.382 -15.506 1.00 0.00 H new ATOM 0 HA ARG A 42 7.936 0.063 -18.444 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.325 -1.286 -16.217 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.243 -1.748 -17.905 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.034 -1.551 -16.930 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.096 -2.720 -16.022 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.004 -3.939 -17.900 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.312 -3.690 -18.281 1.00 0.00 H new ATOM 0 HE ARG A 42 7.931 -2.151 -20.033 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.549 -3.065 -17.907 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.798 -2.341 -18.926 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.529 -1.214 -21.336 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.226 -1.302 -20.851 1.00 0.00 H new ATOM 681 N ASP A 43 5.874 1.297 -19.093 1.00 0.00 N ATOM 682 CA ASP A 43 4.674 2.099 -19.475 1.00 0.00 C ATOM 683 C ASP A 43 3.583 1.176 -20.032 1.00 0.00 C ATOM 684 O ASP A 43 3.842 0.313 -20.847 1.00 0.00 O ATOM 685 CB ASP A 43 5.064 3.136 -20.529 1.00 0.00 C ATOM 686 CG ASP A 43 5.710 2.437 -21.727 1.00 0.00 C ATOM 687 OD1 ASP A 43 5.738 1.218 -21.735 1.00 0.00 O ATOM 688 OD2 ASP A 43 6.174 3.136 -22.612 1.00 0.00 O ATOM 0 H ASP A 43 6.509 1.079 -19.861 1.00 0.00 H new ATOM 0 HA ASP A 43 4.289 2.610 -18.592 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.182 3.690 -20.851 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.757 3.860 -20.101 1.00 0.00 H new ATOM 693 N LEU A 44 2.363 1.347 -19.594 1.00 0.00 N ATOM 694 CA LEU A 44 1.256 0.479 -20.094 1.00 0.00 C ATOM 695 C LEU A 44 0.406 1.258 -21.084 1.00 0.00 C ATOM 696 O LEU A 44 -0.659 0.824 -21.475 1.00 0.00 O ATOM 697 CB LEU A 44 0.375 0.018 -18.929 1.00 0.00 C ATOM 698 CG LEU A 44 1.109 0.195 -17.593 1.00 0.00 C ATOM 699 CD1 LEU A 44 2.536 -0.353 -17.686 1.00 0.00 C ATOM 700 CD2 LEU A 44 1.170 1.677 -17.222 1.00 0.00 C ATOM 0 H LEU A 44 2.085 2.051 -18.911 1.00 0.00 H new ATOM 0 HA LEU A 44 1.689 -0.394 -20.583 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.553 0.590 -18.919 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.102 -1.029 -19.064 1.00 0.00 H new ATOM 0 HG LEU A 44 0.561 -0.356 -16.828 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.040 -0.219 -16.729 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.503 -1.414 -17.933 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.082 0.183 -18.462 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.693 1.793 -16.273 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.703 2.225 -17.999 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.158 2.071 -17.130 1.00 0.00 H new ATOM 712 N GLY A 45 0.862 2.407 -21.483 1.00 0.00 N ATOM 713 CA GLY A 45 0.072 3.224 -22.438 1.00 0.00 C ATOM 714 C GLY A 45 -0.120 4.621 -21.848 1.00 0.00 C ATOM 715 O GLY A 45 0.715 5.099 -21.106 1.00 0.00 O ATOM 0 H GLY A 45 1.749 2.817 -21.189 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.586 3.287 -23.397 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.895 2.757 -22.625 1.00 0.00 H new ATOM 719 N ALA A 46 -1.203 5.289 -22.149 1.00 0.00 N ATOM 720 CA ALA A 46 -1.408 6.649 -21.569 1.00 0.00 C ATOM 721 C ALA A 46 -2.282 6.549 -20.314 1.00 0.00 C ATOM 722 O ALA A 46 -1.889 6.961 -19.240 1.00 0.00 O ATOM 723 CB ALA A 46 -2.103 7.534 -22.606 1.00 0.00 C ATOM 0 H ALA A 46 -1.946 4.957 -22.764 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.444 7.081 -21.300 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.257 8.530 -22.190 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.481 7.605 -23.499 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.067 7.098 -22.869 1.00 0.00 H new ATOM 729 N ALA A 47 -3.463 5.999 -20.438 1.00 0.00 N ATOM 730 CA ALA A 47 -4.359 5.862 -19.251 1.00 0.00 C ATOM 731 C ALA A 47 -4.227 4.441 -18.679 1.00 0.00 C ATOM 732 O ALA A 47 -4.393 3.474 -19.397 1.00 0.00 O ATOM 733 CB ALA A 47 -5.809 6.086 -19.681 1.00 0.00 C ATOM 0 H ALA A 47 -3.846 5.638 -21.312 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.078 6.597 -18.497 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.465 5.986 -18.816 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.913 7.086 -20.102 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.084 5.346 -20.432 1.00 0.00 H new ATOM 739 N PRO A 48 -3.942 4.296 -17.412 1.00 0.00 N ATOM 740 CA PRO A 48 -3.805 2.959 -16.790 1.00 0.00 C ATOM 741 C PRO A 48 -5.161 2.317 -16.520 1.00 0.00 C ATOM 742 O PRO A 48 -6.054 2.930 -15.970 1.00 0.00 O ATOM 743 CB PRO A 48 -3.084 3.242 -15.483 1.00 0.00 C ATOM 744 CG PRO A 48 -3.489 4.627 -15.118 1.00 0.00 C ATOM 745 CD PRO A 48 -3.724 5.365 -16.436 1.00 0.00 C ATOM 0 HA PRO A 48 -3.274 2.260 -17.436 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.371 2.529 -14.710 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.003 3.164 -15.602 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.393 4.620 -14.509 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.713 5.117 -14.531 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.587 6.028 -16.373 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.867 5.982 -16.706 1.00 0.00 H new ATOM 753 N THR A 49 -5.313 1.085 -16.891 1.00 0.00 N ATOM 754 CA THR A 49 -6.602 0.363 -16.653 1.00 0.00 C ATOM 755 C THR A 49 -6.353 -0.785 -15.674 1.00 0.00 C ATOM 756 O THR A 49 -5.244 -0.989 -15.225 1.00 0.00 O ATOM 757 CB THR A 49 -7.125 -0.213 -17.965 1.00 0.00 C ATOM 758 OG1 THR A 49 -6.513 0.459 -19.055 1.00 0.00 O ATOM 759 CG2 THR A 49 -8.642 -0.038 -18.031 1.00 0.00 C ATOM 0 H THR A 49 -4.594 0.532 -17.357 1.00 0.00 H new ATOM 0 HA THR A 49 -7.336 1.058 -16.245 1.00 0.00 H new ATOM 0 HB THR A 49 -6.885 -1.275 -18.019 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.848 0.088 -19.898 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.015 -0.450 -18.969 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.105 -0.562 -17.195 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.889 1.022 -17.977 1.00 0.00 H new ATOM 767 N ALA A 50 -7.361 -1.549 -15.335 1.00 0.00 N ATOM 768 CA ALA A 50 -7.114 -2.672 -14.386 1.00 0.00 C ATOM 769 C ALA A 50 -6.506 -3.871 -15.125 1.00 0.00 C ATOM 770 O ALA A 50 -5.467 -4.365 -14.750 1.00 0.00 O ATOM 771 CB ALA A 50 -8.436 -3.095 -13.742 1.00 0.00 C ATOM 0 H ALA A 50 -8.321 -1.447 -15.665 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.417 -2.336 -13.618 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.256 -3.916 -13.048 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.864 -2.251 -13.202 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.130 -3.420 -14.517 1.00 0.00 H new ATOM 777 N GLU A 51 -7.141 -4.363 -16.159 1.00 0.00 N ATOM 778 CA GLU A 51 -6.568 -5.542 -16.881 1.00 0.00 C ATOM 779 C GLU A 51 -5.220 -5.158 -17.482 1.00 0.00 C ATOM 780 O GLU A 51 -4.290 -5.936 -17.492 1.00 0.00 O ATOM 781 CB GLU A 51 -7.521 -5.980 -17.994 1.00 0.00 C ATOM 782 CG GLU A 51 -8.823 -6.479 -17.370 1.00 0.00 C ATOM 783 CD GLU A 51 -9.709 -5.282 -17.024 1.00 0.00 C ATOM 784 OE1 GLU A 51 -9.302 -4.167 -17.305 1.00 0.00 O ATOM 785 OE2 GLU A 51 -10.780 -5.501 -16.483 1.00 0.00 O ATOM 0 H GLU A 51 -8.021 -4.005 -16.532 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.434 -6.367 -16.181 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.722 -5.146 -18.667 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.064 -6.769 -18.592 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.341 -7.141 -18.063 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.610 -7.060 -16.473 1.00 0.00 H new ATOM 792 N THR A 52 -5.118 -3.970 -18.000 1.00 0.00 N ATOM 793 CA THR A 52 -3.822 -3.573 -18.611 1.00 0.00 C ATOM 794 C THR A 52 -2.779 -3.454 -17.494 1.00 0.00 C ATOM 795 O THR A 52 -1.781 -4.129 -17.502 1.00 0.00 O ATOM 796 CB THR A 52 -4.001 -2.226 -19.317 1.00 0.00 C ATOM 797 OG1 THR A 52 -4.296 -2.443 -20.689 1.00 0.00 O ATOM 798 CG2 THR A 52 -2.727 -1.399 -19.193 1.00 0.00 C ATOM 0 H THR A 52 -5.858 -3.269 -18.028 1.00 0.00 H new ATOM 0 HA THR A 52 -3.491 -4.314 -19.339 1.00 0.00 H new ATOM 0 HB THR A 52 -4.824 -1.685 -18.849 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.412 -1.580 -21.139 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.863 -0.443 -19.698 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.507 -1.225 -18.140 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.898 -1.937 -19.653 1.00 0.00 H new ATOM 806 N VAL A 53 -2.982 -2.579 -16.559 1.00 0.00 N ATOM 807 CA VAL A 53 -1.965 -2.409 -15.483 1.00 0.00 C ATOM 808 C VAL A 53 -1.625 -3.786 -14.901 1.00 0.00 C ATOM 809 O VAL A 53 -0.519 -4.035 -14.463 1.00 0.00 O ATOM 810 CB VAL A 53 -2.542 -1.507 -14.390 1.00 0.00 C ATOM 811 CG1 VAL A 53 -1.533 -1.346 -13.253 1.00 0.00 C ATOM 812 CG2 VAL A 53 -2.850 -0.134 -14.981 1.00 0.00 C ATOM 0 H VAL A 53 -3.801 -1.975 -16.488 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.060 -1.953 -15.885 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.453 -1.960 -14.000 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.954 -0.702 -12.481 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.306 -2.323 -12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.618 -0.898 -13.640 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.261 0.512 -14.205 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.934 0.307 -15.373 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.575 -0.240 -15.788 1.00 0.00 H new ATOM 822 N ILE A 54 -2.569 -4.675 -14.905 1.00 0.00 N ATOM 823 CA ILE A 54 -2.321 -6.042 -14.366 1.00 0.00 C ATOM 824 C ILE A 54 -1.323 -6.800 -15.252 1.00 0.00 C ATOM 825 O ILE A 54 -0.326 -7.294 -14.773 1.00 0.00 O ATOM 826 CB ILE A 54 -3.632 -6.826 -14.322 1.00 0.00 C ATOM 827 CG1 ILE A 54 -4.384 -6.533 -13.016 1.00 0.00 C ATOM 828 CG2 ILE A 54 -3.340 -8.322 -14.434 1.00 0.00 C ATOM 829 CD1 ILE A 54 -3.550 -6.942 -11.793 1.00 0.00 C ATOM 0 H ILE A 54 -3.512 -4.517 -15.261 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.908 -5.943 -13.362 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.258 -6.518 -15.160 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.621 -5.470 -12.960 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.332 -7.071 -13.010 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.276 -8.879 -14.402 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.830 -8.524 -15.376 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.705 -8.632 -13.604 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.108 -6.723 -10.882 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.336 -8.010 -11.839 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.614 -6.384 -11.788 1.00 0.00 H new ATOM 841 N ALA A 55 -1.594 -6.916 -16.531 1.00 0.00 N ATOM 842 CA ALA A 55 -0.667 -7.675 -17.430 1.00 0.00 C ATOM 843 C ALA A 55 0.704 -6.989 -17.497 1.00 0.00 C ATOM 844 O ALA A 55 1.724 -7.635 -17.632 1.00 0.00 O ATOM 845 CB ALA A 55 -1.259 -7.741 -18.837 1.00 0.00 C ATOM 0 H ALA A 55 -2.414 -6.519 -16.990 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.542 -8.680 -17.028 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.584 -8.293 -19.490 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.224 -8.246 -18.802 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.392 -6.731 -19.224 1.00 0.00 H new ATOM 851 N ALA A 56 0.733 -5.690 -17.436 1.00 0.00 N ATOM 852 CA ALA A 56 2.059 -5.019 -17.536 1.00 0.00 C ATOM 853 C ALA A 56 2.861 -5.273 -16.255 1.00 0.00 C ATOM 854 O ALA A 56 3.930 -5.847 -16.309 1.00 0.00 O ATOM 855 CB ALA A 56 1.844 -3.520 -17.716 1.00 0.00 C ATOM 0 H ALA A 56 -0.075 -5.078 -17.325 1.00 0.00 H new ATOM 0 HA ALA A 56 2.610 -5.417 -18.388 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.810 -3.020 -17.790 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.272 -3.341 -18.626 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.296 -3.126 -16.860 1.00 0.00 H new ATOM 861 N TYR A 57 2.396 -4.863 -15.104 1.00 0.00 N ATOM 862 CA TYR A 57 3.197 -5.111 -13.877 1.00 0.00 C ATOM 863 C TYR A 57 3.054 -6.582 -13.462 1.00 0.00 C ATOM 864 O TYR A 57 3.482 -6.982 -12.399 1.00 0.00 O ATOM 865 CB TYR A 57 2.729 -4.160 -12.757 1.00 0.00 C ATOM 866 CG TYR A 57 3.024 -2.726 -13.154 1.00 0.00 C ATOM 867 CD1 TYR A 57 4.335 -2.240 -13.081 1.00 0.00 C ATOM 868 CD2 TYR A 57 1.990 -1.884 -13.586 1.00 0.00 C ATOM 869 CE1 TYR A 57 4.614 -0.916 -13.441 1.00 0.00 C ATOM 870 CE2 TYR A 57 2.267 -0.556 -13.947 1.00 0.00 C ATOM 871 CZ TYR A 57 3.584 -0.072 -13.875 1.00 0.00 C ATOM 872 OH TYR A 57 3.869 1.231 -14.235 1.00 0.00 O ATOM 0 H TYR A 57 1.511 -4.375 -14.964 1.00 0.00 H new ATOM 0 HA TYR A 57 4.252 -4.914 -14.070 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.661 -4.287 -12.580 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.238 -4.402 -11.824 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.132 -2.887 -12.747 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.978 -2.258 -13.641 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.626 -0.544 -13.384 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.470 0.092 -14.279 1.00 0.00 H new ATOM 0 HH TYR A 57 4.302 1.240 -15.114 1.00 0.00 H new ATOM 882 N GLN A 58 2.474 -7.400 -14.314 1.00 0.00 N ATOM 883 CA GLN A 58 2.329 -8.854 -13.986 1.00 0.00 C ATOM 884 C GLN A 58 3.715 -9.448 -13.724 1.00 0.00 C ATOM 885 O GLN A 58 3.939 -10.137 -12.759 1.00 0.00 O ATOM 886 CB GLN A 58 1.715 -9.583 -15.177 1.00 0.00 C ATOM 887 CG GLN A 58 1.439 -11.040 -14.809 1.00 0.00 C ATOM 888 CD GLN A 58 -0.058 -11.220 -14.550 1.00 0.00 C ATOM 889 OE1 GLN A 58 -0.622 -10.555 -13.579 1.00 0.00 O flip ATOM 890 NE2 GLN A 58 -0.721 -11.963 -15.245 1.00 0.00 N flip ATOM 0 H GLN A 58 2.096 -7.122 -15.220 1.00 0.00 H new ATOM 0 HA GLN A 58 1.693 -8.965 -13.108 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.789 -9.093 -15.476 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.391 -9.536 -16.031 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.762 -11.698 -15.615 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.009 -11.318 -13.923 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.278 -12.482 -16.003 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.720 -12.068 -15.070 1.00 0.00 H new ATOM 899 N HIS A 59 4.645 -9.181 -14.596 1.00 0.00 N ATOM 900 CA HIS A 59 6.022 -9.722 -14.433 1.00 0.00 C ATOM 901 C HIS A 59 6.579 -9.297 -13.071 1.00 0.00 C ATOM 902 O HIS A 59 7.461 -9.928 -12.524 1.00 0.00 O ATOM 903 CB HIS A 59 6.898 -9.181 -15.568 1.00 0.00 C ATOM 904 CG HIS A 59 7.155 -7.718 -15.357 1.00 0.00 C ATOM 905 ND1 HIS A 59 7.795 -7.031 -14.357 1.00 0.00 N flip ATOM 906 CD2 HIS A 59 6.714 -6.757 -16.256 1.00 0.00 C flip ATOM 907 CE1 HIS A 59 7.749 -5.669 -14.627 1.00 0.00 C flip ATOM 908 NE2 HIS A 59 7.088 -5.557 -15.780 1.00 0.00 N flip ATOM 0 H HIS A 59 4.508 -8.603 -15.425 1.00 0.00 H new ATOM 0 HA HIS A 59 6.011 -10.811 -14.476 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.842 -9.724 -15.602 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.405 -9.339 -16.527 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.170 -6.940 -17.171 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.161 -4.870 -14.029 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.891 -4.670 -16.243 1.00 0.00 H new ATOM 917 N ALA A 60 6.061 -8.234 -12.516 1.00 0.00 N ATOM 918 CA ALA A 60 6.550 -7.770 -11.184 1.00 0.00 C ATOM 919 C ALA A 60 5.940 -8.644 -10.082 1.00 0.00 C ATOM 920 O ALA A 60 6.548 -8.886 -9.059 1.00 0.00 O ATOM 921 CB ALA A 60 6.131 -6.312 -10.966 1.00 0.00 C ATOM 0 H ALA A 60 5.320 -7.666 -12.927 1.00 0.00 H new ATOM 0 HA ALA A 60 7.637 -7.847 -11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.488 -5.972 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.563 -5.688 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.044 -6.237 -11.000 1.00 0.00 H new ATOM 927 N ILE A 61 4.742 -9.120 -10.279 1.00 0.00 N ATOM 928 CA ILE A 61 4.104 -9.974 -9.233 1.00 0.00 C ATOM 929 C ILE A 61 4.871 -11.292 -9.105 1.00 0.00 C ATOM 930 O ILE A 61 4.986 -11.842 -8.028 1.00 0.00 O ATOM 931 CB ILE A 61 2.639 -10.264 -9.586 1.00 0.00 C ATOM 932 CG1 ILE A 61 2.580 -11.544 -10.411 1.00 0.00 C ATOM 933 CG2 ILE A 61 2.045 -9.093 -10.361 1.00 0.00 C ATOM 934 CD1 ILE A 61 1.221 -11.677 -11.087 1.00 0.00 C ATOM 0 H ILE A 61 4.178 -8.957 -11.113 1.00 0.00 H new ATOM 0 HA ILE A 61 4.133 -9.438 -8.284 1.00 0.00 H new ATOM 0 HB ILE A 61 2.054 -10.394 -8.675 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.369 -11.536 -11.163 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.760 -12.407 -9.769 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.005 -9.309 -10.606 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.094 -8.191 -9.751 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.611 -8.941 -11.280 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.194 -12.596 -11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.439 -11.707 -10.329 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.056 -10.823 -11.744 1.00 0.00 H new ATOM 946 N ASP A 62 5.392 -11.814 -10.187 1.00 0.00 N ATOM 947 CA ASP A 62 6.139 -13.103 -10.121 1.00 0.00 C ATOM 948 C ASP A 62 7.448 -12.916 -9.358 1.00 0.00 C ATOM 949 O ASP A 62 7.925 -13.817 -8.696 1.00 0.00 O ATOM 950 CB ASP A 62 6.443 -13.574 -11.546 1.00 0.00 C ATOM 951 CG ASP A 62 7.009 -14.995 -11.516 1.00 0.00 C ATOM 952 OD1 ASP A 62 7.370 -15.447 -10.443 1.00 0.00 O ATOM 953 OD2 ASP A 62 7.076 -15.605 -12.570 1.00 0.00 O ATOM 0 H ASP A 62 5.331 -11.399 -11.117 1.00 0.00 H new ATOM 0 HA ASP A 62 5.533 -13.845 -9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.535 -13.548 -12.148 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.157 -12.899 -12.017 1.00 0.00 H new ATOM 958 N LYS A 63 8.048 -11.761 -9.453 1.00 0.00 N ATOM 959 CA LYS A 63 9.334 -11.543 -8.737 1.00 0.00 C ATOM 960 C LYS A 63 9.090 -11.621 -7.233 1.00 0.00 C ATOM 961 O LYS A 63 9.835 -12.257 -6.514 1.00 0.00 O ATOM 962 CB LYS A 63 9.897 -10.166 -9.111 1.00 0.00 C ATOM 963 CG LYS A 63 11.320 -10.014 -8.570 1.00 0.00 C ATOM 964 CD LYS A 63 11.893 -8.661 -9.005 1.00 0.00 C ATOM 965 CE LYS A 63 11.385 -7.559 -8.069 1.00 0.00 C ATOM 966 NZ LYS A 63 12.472 -7.173 -7.125 1.00 0.00 N ATOM 0 H LYS A 63 7.706 -10.965 -9.991 1.00 0.00 H new ATOM 0 HA LYS A 63 10.054 -12.310 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.897 -10.047 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.259 -9.381 -8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.316 -10.086 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.949 -10.823 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.982 -8.694 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.598 -8.444 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.066 -6.692 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.514 -7.910 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.130 -6.425 -6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.755 -8.002 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.290 -6.822 -7.663 1.00 0.00 H new ATOM 980 N LEU A 64 8.097 -10.937 -6.733 1.00 0.00 N ATOM 981 CA LEU A 64 7.880 -10.938 -5.262 1.00 0.00 C ATOM 982 C LEU A 64 7.942 -12.378 -4.780 1.00 0.00 C ATOM 983 O LEU A 64 8.999 -12.851 -4.414 1.00 0.00 O ATOM 984 CB LEU A 64 6.468 -10.399 -5.002 1.00 0.00 C ATOM 985 CG LEU A 64 6.113 -10.516 -3.531 1.00 0.00 C ATOM 986 CD1 LEU A 64 7.105 -9.757 -2.687 1.00 0.00 C ATOM 987 CD2 LEU A 64 4.726 -9.936 -3.312 1.00 0.00 C ATOM 0 H LEU A 64 7.434 -10.383 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 64 8.627 -10.332 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.408 -9.356 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.745 -10.953 -5.601 1.00 0.00 H new ATOM 0 HG LEU A 64 6.136 -11.567 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.835 -9.852 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.103 -10.165 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.094 -8.705 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.461 -10.015 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.719 -8.888 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.002 -10.489 -3.911 1.00 0.00 H new ATOM 999 N VAL A 65 6.864 -13.098 -4.813 1.00 0.00 N ATOM 1000 CA VAL A 65 6.942 -14.518 -4.392 1.00 0.00 C ATOM 1001 C VAL A 65 6.134 -15.342 -5.390 1.00 0.00 C ATOM 1002 O VAL A 65 4.956 -15.124 -5.582 1.00 0.00 O ATOM 1003 CB VAL A 65 6.405 -14.690 -2.943 1.00 0.00 C ATOM 1004 CG1 VAL A 65 7.479 -14.239 -1.952 1.00 0.00 C ATOM 1005 CG2 VAL A 65 5.150 -13.832 -2.711 1.00 0.00 C ATOM 0 H VAL A 65 5.944 -12.772 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 65 7.977 -14.860 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 65 6.153 -15.740 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.108 -14.357 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.374 -14.846 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.721 -13.191 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.797 -13.973 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.393 -12.781 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.369 -14.133 -3.409 1.00 0.00 H new ATOM 1015 N ALA A 66 6.773 -16.279 -6.044 1.00 0.00 N ATOM 1016 CA ALA A 66 6.049 -17.122 -7.037 1.00 0.00 C ATOM 1017 C ALA A 66 5.966 -18.554 -6.507 1.00 0.00 C ATOM 1018 O ALA A 66 6.960 -19.245 -6.405 1.00 0.00 O ATOM 1019 CB ALA A 66 6.820 -17.104 -8.361 1.00 0.00 C ATOM 0 H ALA A 66 7.764 -16.495 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 66 5.043 -16.735 -7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.298 -17.718 -9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.889 -16.080 -8.728 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.823 -17.501 -8.203 1.00 0.00 H new ATOM 1025 N GLU A 67 4.791 -19.008 -6.178 1.00 0.00 N ATOM 1026 CA GLU A 67 4.646 -20.399 -5.663 1.00 0.00 C ATOM 1027 C GLU A 67 3.187 -20.838 -5.793 1.00 0.00 C ATOM 1028 O GLU A 67 2.278 -20.056 -5.600 1.00 0.00 O ATOM 1029 CB GLU A 67 5.073 -20.448 -4.192 1.00 0.00 C ATOM 1030 CG GLU A 67 5.100 -21.902 -3.715 1.00 0.00 C ATOM 1031 CD GLU A 67 5.469 -21.954 -2.231 1.00 0.00 C ATOM 1032 OE1 GLU A 67 5.642 -20.898 -1.646 1.00 0.00 O ATOM 1033 OE2 GLU A 67 5.575 -23.051 -1.706 1.00 0.00 O ATOM 0 H GLU A 67 3.923 -18.477 -6.243 1.00 0.00 H new ATOM 0 HA GLU A 67 5.279 -21.071 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.058 -19.997 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.381 -19.867 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.126 -22.364 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.822 -22.473 -4.299 1.00 0.00 H new ATOM 1040 N LYS A 68 2.943 -22.077 -6.095 1.00 0.00 N ATOM 1041 CA LYS A 68 1.530 -22.530 -6.201 1.00 0.00 C ATOM 1042 C LYS A 68 0.722 -21.534 -7.039 1.00 0.00 C ATOM 1043 O LYS A 68 1.269 -20.697 -7.731 1.00 0.00 O ATOM 1044 CB LYS A 68 0.936 -22.586 -4.792 1.00 0.00 C ATOM 1045 CG LYS A 68 1.497 -23.798 -4.028 1.00 0.00 C ATOM 1046 CD LYS A 68 0.769 -25.080 -4.455 1.00 0.00 C ATOM 1047 CE LYS A 68 1.167 -26.225 -3.521 1.00 0.00 C ATOM 1048 NZ LYS A 68 1.257 -27.497 -4.296 1.00 0.00 N ATOM 0 H LYS A 68 3.650 -22.791 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 68 1.493 -23.510 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.170 -21.667 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.150 -22.654 -4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.565 -23.896 -4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.381 -23.646 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.310 -24.927 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.024 -25.330 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.125 -26.006 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.434 -26.326 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.528 -28.273 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.334 -27.708 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.973 -27.398 -5.044 1.00 0.00 H new ATOM 1062 N GLY A 69 -0.579 -21.616 -6.972 1.00 0.00 N ATOM 1063 CA GLY A 69 -1.430 -20.672 -7.752 1.00 0.00 C ATOM 1064 C GLY A 69 -1.893 -19.542 -6.831 1.00 0.00 C ATOM 1065 O GLY A 69 -2.828 -19.695 -6.069 1.00 0.00 O ATOM 0 H GLY A 69 -1.090 -22.297 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.868 -20.266 -8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.291 -21.196 -8.167 1.00 0.00 H new ATOM 1069 N TYR A 70 -1.243 -18.409 -6.882 1.00 0.00 N ATOM 1070 CA TYR A 70 -1.651 -17.285 -5.993 1.00 0.00 C ATOM 1071 C TYR A 70 -3.136 -17.015 -6.182 1.00 0.00 C ATOM 1072 O TYR A 70 -3.650 -17.076 -7.281 1.00 0.00 O ATOM 1073 CB TYR A 70 -0.855 -16.026 -6.350 1.00 0.00 C ATOM 1074 CG TYR A 70 0.479 -16.015 -5.626 1.00 0.00 C ATOM 1075 CD1 TYR A 70 1.109 -17.227 -5.320 1.00 0.00 C ATOM 1076 CD2 TYR A 70 1.094 -14.788 -5.272 1.00 0.00 C ATOM 1077 CE1 TYR A 70 2.339 -17.235 -4.674 1.00 0.00 C ATOM 1078 CE2 TYR A 70 2.343 -14.787 -4.616 1.00 0.00 C ATOM 1079 CZ TYR A 70 2.963 -16.030 -4.324 1.00 0.00 C ATOM 1080 OH TYR A 70 4.182 -16.080 -3.696 1.00 0.00 O ATOM 0 H TYR A 70 -0.453 -18.215 -7.497 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.452 -17.552 -4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.691 -15.986 -7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.428 -15.138 -6.082 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.637 -18.161 -5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.606 -13.853 -5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.817 -18.175 -4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.819 -13.857 -4.341 1.00 0.00 H new ATOM 0 HH TYR A 70 4.561 -16.979 -3.789 1.00 0.00 H new ATOM 1090 N GLN A 71 -3.831 -16.723 -5.121 1.00 0.00 N ATOM 1091 CA GLN A 71 -5.284 -16.454 -5.245 1.00 0.00 C ATOM 1092 C GLN A 71 -5.533 -15.594 -6.480 1.00 0.00 C ATOM 1093 O GLN A 71 -5.837 -16.096 -7.544 1.00 0.00 O ATOM 1094 CB GLN A 71 -5.769 -15.716 -3.995 1.00 0.00 C ATOM 1095 CG GLN A 71 -7.273 -15.454 -4.093 1.00 0.00 C ATOM 1096 CD GLN A 71 -8.031 -16.780 -4.031 1.00 0.00 C ATOM 1097 OE1 GLN A 71 -7.832 -17.566 -3.128 1.00 0.00 O ATOM 1098 NE2 GLN A 71 -8.896 -17.063 -4.965 1.00 0.00 N ATOM 0 H GLN A 71 -3.455 -16.659 -4.175 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.827 -17.394 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.552 -16.308 -3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.233 -14.773 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.592 -14.803 -3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.502 -14.936 -5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.062 -16.402 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.406 -17.946 -4.937 1.00 0.00 H new ATOM 1107 N SER A 72 -5.398 -14.306 -6.354 1.00 0.00 N ATOM 1108 CA SER A 72 -5.619 -13.430 -7.525 1.00 0.00 C ATOM 1109 C SER A 72 -5.152 -12.017 -7.190 1.00 0.00 C ATOM 1110 O SER A 72 -4.920 -11.683 -6.045 1.00 0.00 O ATOM 1111 CB SER A 72 -7.105 -13.418 -7.884 1.00 0.00 C ATOM 1112 OG SER A 72 -7.829 -12.727 -6.875 1.00 0.00 O ATOM 0 H SER A 72 -5.144 -13.826 -5.490 1.00 0.00 H new ATOM 0 HA SER A 72 -5.052 -13.805 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.253 -12.934 -8.849 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.476 -14.439 -7.979 1.00 0.00 H new ATOM 0 HG SER A 72 -8.782 -12.717 -7.105 1.00 0.00 H new ATOM 1118 N TRP A 73 -5.031 -11.186 -8.180 1.00 0.00 N ATOM 1119 CA TRP A 73 -4.601 -9.787 -7.927 1.00 0.00 C ATOM 1120 C TRP A 73 -5.498 -8.841 -8.726 1.00 0.00 C ATOM 1121 O TRP A 73 -5.945 -9.166 -9.808 1.00 0.00 O ATOM 1122 CB TRP A 73 -3.144 -9.599 -8.344 1.00 0.00 C ATOM 1123 CG TRP A 73 -2.803 -10.527 -9.462 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -3.199 -10.392 -10.750 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -1.981 -11.721 -9.410 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -2.662 -11.431 -11.489 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -1.908 -12.279 -10.706 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -1.299 -12.365 -8.368 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -1.176 -13.440 -10.960 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -0.560 -13.528 -8.615 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -0.496 -14.066 -9.911 1.00 0.00 C ATOM 0 H TRP A 73 -5.212 -11.415 -9.157 1.00 0.00 H new ATOM 0 HA TRP A 73 -4.687 -9.567 -6.863 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.977 -8.568 -8.654 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.488 -9.786 -7.494 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -3.829 -9.604 -11.136 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -2.806 -11.555 -12.491 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.344 -11.961 -7.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.135 -13.851 -11.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.036 -14.014 -7.805 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.078 -14.962 -10.097 1.00 0.00 H new ATOM 1142 N ASP A 74 -5.776 -7.682 -8.202 1.00 0.00 N ATOM 1143 CA ASP A 74 -6.658 -6.734 -8.942 1.00 0.00 C ATOM 1144 C ASP A 74 -6.188 -5.300 -8.713 1.00 0.00 C ATOM 1145 O ASP A 74 -5.425 -5.026 -7.811 1.00 0.00 O ATOM 1146 CB ASP A 74 -8.096 -6.883 -8.441 1.00 0.00 C ATOM 1147 CG ASP A 74 -9.028 -6.051 -9.323 1.00 0.00 C ATOM 1148 OD1 ASP A 74 -9.396 -6.533 -10.382 1.00 0.00 O ATOM 1149 OD2 ASP A 74 -9.356 -4.946 -8.926 1.00 0.00 O ATOM 0 H ASP A 74 -5.435 -7.350 -7.300 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.614 -6.960 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.394 -7.931 -8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.168 -6.554 -7.404 1.00 0.00 H new ATOM 1154 N VAL A 75 -6.629 -4.384 -9.532 1.00 0.00 N ATOM 1155 CA VAL A 75 -6.201 -2.967 -9.367 1.00 0.00 C ATOM 1156 C VAL A 75 -7.359 -2.136 -8.820 1.00 0.00 C ATOM 1157 O VAL A 75 -8.513 -2.464 -9.008 1.00 0.00 O ATOM 1158 CB VAL A 75 -5.768 -2.397 -10.716 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -4.637 -1.388 -10.512 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -5.276 -3.532 -11.603 1.00 0.00 C ATOM 0 H VAL A 75 -7.268 -4.557 -10.308 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.364 -2.930 -8.669 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.615 -1.898 -11.188 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.331 -0.984 -11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.984 -0.577 -9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.788 -1.883 -10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.965 -3.131 -12.568 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.430 -4.026 -11.126 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.080 -4.253 -11.751 1.00 0.00 H new ATOM 1170 N ILE A 76 -7.055 -1.060 -8.144 1.00 0.00 N ATOM 1171 CA ILE A 76 -8.135 -0.203 -7.589 1.00 0.00 C ATOM 1172 C ILE A 76 -7.931 1.229 -8.091 1.00 0.00 C ATOM 1173 O ILE A 76 -7.135 1.973 -7.553 1.00 0.00 O ATOM 1174 CB ILE A 76 -8.052 -0.212 -6.061 1.00 0.00 C ATOM 1175 CG1 ILE A 76 -7.932 -1.653 -5.555 1.00 0.00 C ATOM 1176 CG2 ILE A 76 -9.322 0.414 -5.482 1.00 0.00 C ATOM 1177 CD1 ILE A 76 -7.534 -1.633 -4.079 1.00 0.00 C ATOM 0 H ILE A 76 -6.105 -0.740 -7.954 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.108 -0.579 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.178 0.358 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.880 -2.176 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.188 -2.196 -6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.266 0.409 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.416 1.441 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.190 -0.161 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.447 -2.656 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.576 -1.124 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.295 -1.105 -3.504 1.00 0.00 H new ATOM 1189 N SER A 77 -8.643 1.617 -9.115 1.00 0.00 N ATOM 1190 CA SER A 77 -8.495 3.001 -9.653 1.00 0.00 C ATOM 1191 C SER A 77 -9.821 3.749 -9.527 1.00 0.00 C ATOM 1192 O SER A 77 -10.872 3.223 -9.833 1.00 0.00 O ATOM 1193 CB SER A 77 -8.081 2.936 -11.124 1.00 0.00 C ATOM 1194 OG SER A 77 -8.202 1.598 -11.587 1.00 0.00 O ATOM 0 H SER A 77 -9.322 1.034 -9.603 1.00 0.00 H new ATOM 0 HA SER A 77 -7.730 3.529 -9.083 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.709 3.598 -11.720 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.054 3.282 -11.240 1.00 0.00 H new ATOM 0 HG SER A 77 -7.939 1.553 -12.530 1.00 0.00 H new ATOM 1200 N LEU A 78 -9.780 4.977 -9.084 1.00 0.00 N ATOM 1201 CA LEU A 78 -11.037 5.760 -8.943 1.00 0.00 C ATOM 1202 C LEU A 78 -11.132 6.768 -10.087 1.00 0.00 C ATOM 1203 O LEU A 78 -10.227 7.542 -10.322 1.00 0.00 O ATOM 1204 CB LEU A 78 -11.027 6.504 -7.606 1.00 0.00 C ATOM 1205 CG LEU A 78 -10.844 5.503 -6.463 1.00 0.00 C ATOM 1206 CD1 LEU A 78 -10.800 6.251 -5.129 1.00 0.00 C ATOM 1207 CD2 LEU A 78 -12.019 4.525 -6.453 1.00 0.00 C ATOM 0 H LEU A 78 -8.929 5.470 -8.814 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.894 5.087 -8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.221 7.238 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.960 7.053 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.912 4.957 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.670 5.537 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.966 6.953 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.733 6.797 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.891 3.811 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.949 5.075 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.056 3.991 -7.402 1.00 0.00 H new ATOM 1219 N ARG A 79 -12.223 6.766 -10.798 1.00 0.00 N ATOM 1220 CA ARG A 79 -12.376 7.729 -11.925 1.00 0.00 C ATOM 1221 C ARG A 79 -13.299 8.873 -11.497 1.00 0.00 C ATOM 1222 O ARG A 79 -14.177 8.706 -10.675 1.00 0.00 O ATOM 1223 CB ARG A 79 -12.971 7.017 -13.141 1.00 0.00 C ATOM 1224 CG ARG A 79 -12.083 5.832 -13.525 1.00 0.00 C ATOM 1225 CD ARG A 79 -12.450 5.346 -14.931 1.00 0.00 C ATOM 1226 NE ARG A 79 -13.930 5.221 -15.049 1.00 0.00 N ATOM 1227 CZ ARG A 79 -14.479 5.107 -16.228 1.00 0.00 C ATOM 1228 NH1 ARG A 79 -13.728 5.076 -17.295 1.00 0.00 N ATOM 1229 NH2 ARG A 79 -15.776 5.023 -16.340 1.00 0.00 N ATOM 0 H ARG A 79 -13.015 6.141 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.398 8.130 -12.190 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.980 6.671 -12.915 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.052 7.711 -13.978 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.034 6.126 -13.494 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.209 5.023 -12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.074 6.045 -15.678 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.977 4.384 -15.129 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.512 5.224 -14.212 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.714 5.141 -17.207 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.155 4.987 -18.217 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -16.363 5.046 -15.506 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.204 4.934 -17.262 1.00 0.00 H new ATOM 1243 N ALA A 80 -13.101 10.034 -12.055 1.00 0.00 N ATOM 1244 CA ALA A 80 -13.955 11.202 -11.696 1.00 0.00 C ATOM 1245 C ALA A 80 -15.325 11.065 -12.380 1.00 0.00 C ATOM 1246 O ALA A 80 -16.288 11.705 -12.010 1.00 0.00 O ATOM 1247 CB ALA A 80 -13.253 12.478 -12.164 1.00 0.00 C ATOM 0 H ALA A 80 -12.379 10.226 -12.750 1.00 0.00 H new ATOM 0 HA ALA A 80 -14.108 11.244 -10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.864 13.344 -11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.284 12.561 -11.673 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.110 12.440 -13.244 1.00 0.00 H new ATOM 1253 N ASP A 81 -15.404 10.215 -13.365 1.00 0.00 N ATOM 1254 CA ASP A 81 -16.696 10.002 -14.080 1.00 0.00 C ATOM 1255 C ASP A 81 -17.416 8.792 -13.479 1.00 0.00 C ATOM 1256 O ASP A 81 -18.305 8.225 -14.081 1.00 0.00 O ATOM 1257 CB ASP A 81 -16.430 9.761 -15.568 1.00 0.00 C ATOM 1258 CG ASP A 81 -15.837 11.025 -16.193 1.00 0.00 C ATOM 1259 OD1 ASP A 81 -15.982 12.081 -15.599 1.00 0.00 O ATOM 1260 OD2 ASP A 81 -15.247 10.915 -17.255 1.00 0.00 O ATOM 0 H ASP A 81 -14.624 9.654 -13.709 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.322 10.887 -13.970 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -15.744 8.924 -15.694 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.357 9.493 -16.075 1.00 0.00 H new ATOM 1265 N ASN A 82 -17.033 8.395 -12.294 1.00 0.00 N ATOM 1266 CA ASN A 82 -17.685 7.221 -11.644 1.00 0.00 C ATOM 1267 C ASN A 82 -18.131 7.595 -10.215 1.00 0.00 C ATOM 1268 O ASN A 82 -17.351 7.520 -9.286 1.00 0.00 O ATOM 1269 CB ASN A 82 -16.682 6.064 -11.595 1.00 0.00 C ATOM 1270 CG ASN A 82 -16.448 5.539 -13.016 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -16.645 6.255 -13.980 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -16.034 4.313 -13.192 1.00 0.00 N ATOM 0 H ASN A 82 -16.294 8.835 -11.747 1.00 0.00 H new ATOM 0 HA ASN A 82 -18.563 6.921 -12.216 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.741 6.401 -11.159 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.061 5.265 -10.957 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.877 3.958 -14.135 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.868 3.710 -12.386 1.00 0.00 H new ATOM 1279 N PRO A 83 -19.371 7.989 -10.028 1.00 0.00 N ATOM 1280 CA PRO A 83 -19.901 8.371 -8.678 1.00 0.00 C ATOM 1281 C PRO A 83 -19.545 7.337 -7.597 1.00 0.00 C ATOM 1282 O PRO A 83 -19.851 7.501 -6.432 1.00 0.00 O ATOM 1283 CB PRO A 83 -21.413 8.425 -8.892 1.00 0.00 C ATOM 1284 CG PRO A 83 -21.592 8.739 -10.341 1.00 0.00 C ATOM 1285 CD PRO A 83 -20.403 8.119 -11.073 1.00 0.00 C ATOM 0 HA PRO A 83 -19.475 9.310 -8.323 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -21.881 7.475 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -21.873 9.188 -8.264 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -22.532 8.330 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -21.627 9.816 -10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -20.660 7.151 -11.504 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -20.064 8.753 -11.893 1.00 0.00 H new ATOM 1293 N GLN A 84 -18.909 6.274 -7.991 1.00 0.00 N ATOM 1294 CA GLN A 84 -18.534 5.219 -7.008 1.00 0.00 C ATOM 1295 C GLN A 84 -17.292 5.665 -6.236 1.00 0.00 C ATOM 1296 O GLN A 84 -16.761 4.943 -5.427 1.00 0.00 O ATOM 1297 CB GLN A 84 -18.232 3.913 -7.740 1.00 0.00 C ATOM 1298 CG GLN A 84 -19.470 3.459 -8.511 1.00 0.00 C ATOM 1299 CD GLN A 84 -19.206 2.087 -9.134 1.00 0.00 C ATOM 1300 OE1 GLN A 84 -19.377 1.071 -8.490 1.00 0.00 O ATOM 1301 NE2 GLN A 84 -18.789 2.015 -10.369 1.00 0.00 N ATOM 0 H GLN A 84 -18.630 6.087 -8.954 1.00 0.00 H new ATOM 0 HA GLN A 84 -19.361 5.061 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.396 4.053 -8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.934 3.145 -7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.330 3.408 -7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.713 4.183 -9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -18.646 2.868 -10.909 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.607 1.106 -10.794 1.00 0.00 H new ATOM 1310 N LYS A 85 -16.835 6.857 -6.471 1.00 0.00 N ATOM 1311 CA LYS A 85 -15.633 7.357 -5.748 1.00 0.00 C ATOM 1312 C LYS A 85 -16.045 7.865 -4.361 1.00 0.00 C ATOM 1313 O LYS A 85 -15.259 7.879 -3.434 1.00 0.00 O ATOM 1314 CB LYS A 85 -14.998 8.486 -6.565 1.00 0.00 C ATOM 1315 CG LYS A 85 -16.027 9.596 -6.788 1.00 0.00 C ATOM 1316 CD LYS A 85 -15.621 10.436 -8.004 1.00 0.00 C ATOM 1317 CE LYS A 85 -16.587 11.611 -8.162 1.00 0.00 C ATOM 1318 NZ LYS A 85 -17.616 11.271 -9.184 1.00 0.00 N ATOM 0 H LYS A 85 -17.243 7.514 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.908 6.553 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.127 8.882 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -14.647 8.103 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.015 9.164 -6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.093 10.228 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.602 10.804 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.631 9.820 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.065 11.834 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.042 12.506 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.509 11.750 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.291 11.583 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.768 10.242 -9.195 1.00 0.00 H new ATOM 1332 N GLU A 86 -17.279 8.268 -4.217 1.00 0.00 N ATOM 1333 CA GLU A 86 -17.755 8.762 -2.892 1.00 0.00 C ATOM 1334 C GLU A 86 -18.084 7.570 -1.983 1.00 0.00 C ATOM 1335 O GLU A 86 -17.631 7.495 -0.852 1.00 0.00 O ATOM 1336 CB GLU A 86 -19.007 9.619 -3.083 1.00 0.00 C ATOM 1337 CG GLU A 86 -18.655 10.852 -3.918 1.00 0.00 C ATOM 1338 CD GLU A 86 -19.886 11.750 -4.044 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -20.953 11.318 -3.641 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -19.740 12.854 -4.542 1.00 0.00 O ATOM 0 H GLU A 86 -17.978 8.277 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.971 9.363 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -19.786 9.040 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -19.404 9.923 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.838 11.401 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.310 10.549 -4.906 1.00 0.00 H new ATOM 1347 N ALA A 87 -18.864 6.632 -2.458 1.00 0.00 N ATOM 1348 CA ALA A 87 -19.213 5.452 -1.616 1.00 0.00 C ATOM 1349 C ALA A 87 -17.973 4.580 -1.413 1.00 0.00 C ATOM 1350 O ALA A 87 -17.850 3.888 -0.422 1.00 0.00 O ATOM 1351 CB ALA A 87 -20.311 4.636 -2.298 1.00 0.00 C ATOM 0 H ALA A 87 -19.273 6.634 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 87 -19.573 5.797 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -20.562 3.775 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -21.196 5.258 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.958 4.293 -3.271 1.00 0.00 H new ATOM 1357 N LEU A 88 -17.055 4.600 -2.343 1.00 0.00 N ATOM 1358 CA LEU A 88 -15.831 3.763 -2.198 1.00 0.00 C ATOM 1359 C LEU A 88 -15.014 4.275 -1.018 1.00 0.00 C ATOM 1360 O LEU A 88 -14.202 3.563 -0.471 1.00 0.00 O ATOM 1361 CB LEU A 88 -14.967 3.804 -3.466 1.00 0.00 C ATOM 1362 CG LEU A 88 -15.522 2.811 -4.498 1.00 0.00 C ATOM 1363 CD1 LEU A 88 -14.916 3.094 -5.879 1.00 0.00 C ATOM 1364 CD2 LEU A 88 -15.158 1.382 -4.082 1.00 0.00 C ATOM 0 H LEU A 88 -17.101 5.159 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.141 2.731 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.961 4.811 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.934 3.553 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.605 2.922 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.316 2.385 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.169 4.109 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.832 2.990 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.552 0.678 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.074 1.283 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.589 1.167 -3.104 1.00 0.00 H new ATOM 1376 N ARG A 89 -15.200 5.507 -0.620 1.00 0.00 N ATOM 1377 CA ARG A 89 -14.393 6.001 0.526 1.00 0.00 C ATOM 1378 C ARG A 89 -14.693 5.144 1.766 1.00 0.00 C ATOM 1379 O ARG A 89 -13.816 4.520 2.288 1.00 0.00 O ATOM 1380 CB ARG A 89 -14.771 7.453 0.810 1.00 0.00 C ATOM 1381 CG ARG A 89 -14.108 7.890 2.110 1.00 0.00 C ATOM 1382 CD ARG A 89 -13.698 9.355 2.009 1.00 0.00 C ATOM 1383 NE ARG A 89 -14.912 10.204 1.851 1.00 0.00 N ATOM 1384 CZ ARG A 89 -14.782 11.472 1.571 1.00 0.00 C ATOM 1385 NH1 ARG A 89 -13.592 11.986 1.425 1.00 0.00 N ATOM 1386 NH2 ARG A 89 -15.839 12.222 1.431 1.00 0.00 N ATOM 0 H ARG A 89 -15.857 6.173 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.331 5.935 0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.450 8.094 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.854 7.553 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.795 7.751 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.234 7.270 2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.148 9.652 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.029 9.498 1.161 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.840 9.796 1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.766 11.397 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.488 12.977 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.769 11.818 1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.736 13.213 1.212 1.00 0.00 H new ATOM 1400 N GLU A 90 -15.922 5.105 2.218 1.00 0.00 N ATOM 1401 CA GLU A 90 -16.268 4.263 3.430 1.00 0.00 C ATOM 1402 C GLU A 90 -16.021 2.781 3.118 1.00 0.00 C ATOM 1403 O GLU A 90 -15.722 1.966 3.971 1.00 0.00 O ATOM 1404 CB GLU A 90 -17.737 4.468 3.813 1.00 0.00 C ATOM 1405 CG GLU A 90 -18.022 3.732 5.127 1.00 0.00 C ATOM 1406 CD GLU A 90 -19.500 3.878 5.493 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -20.218 4.515 4.739 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -19.887 3.352 6.523 1.00 0.00 O ATOM 0 H GLU A 90 -16.706 5.614 1.809 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.637 4.569 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -17.952 5.531 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.387 4.092 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.765 2.677 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.399 4.137 5.924 1.00 0.00 H new ATOM 1415 N LYS A 91 -16.158 2.470 1.875 1.00 0.00 N ATOM 1416 CA LYS A 91 -15.963 1.066 1.417 1.00 0.00 C ATOM 1417 C LYS A 91 -14.507 0.640 1.683 1.00 0.00 C ATOM 1418 O LYS A 91 -14.239 -0.477 2.074 1.00 0.00 O ATOM 1419 CB LYS A 91 -16.266 0.954 -0.074 1.00 0.00 C ATOM 1420 CG LYS A 91 -16.704 -0.475 -0.414 1.00 0.00 C ATOM 1421 CD LYS A 91 -15.550 -1.445 -0.155 1.00 0.00 C ATOM 1422 CE LYS A 91 -15.650 -2.627 -1.118 1.00 0.00 C ATOM 1423 NZ LYS A 91 -17.074 -3.049 -1.240 1.00 0.00 N ATOM 0 H LYS A 91 -16.400 3.132 1.138 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.642 0.413 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.051 1.659 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.382 1.220 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.568 -0.754 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.012 -0.532 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -14.596 -0.935 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.583 -1.798 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.257 -2.348 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.043 -3.457 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.118 -4.066 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.570 -2.861 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.530 -2.515 -2.007 1.00 0.00 H new ATOM 1437 N PHE A 92 -13.566 1.522 1.497 1.00 0.00 N ATOM 1438 CA PHE A 92 -12.137 1.169 1.754 1.00 0.00 C ATOM 1439 C PHE A 92 -11.665 1.740 3.089 1.00 0.00 C ATOM 1440 O PHE A 92 -10.603 1.411 3.576 1.00 0.00 O ATOM 1441 CB PHE A 92 -11.261 1.754 0.649 1.00 0.00 C ATOM 1442 CG PHE A 92 -10.803 0.649 -0.261 1.00 0.00 C ATOM 1443 CD1 PHE A 92 -10.025 -0.397 0.248 1.00 0.00 C ATOM 1444 CD2 PHE A 92 -11.168 0.666 -1.607 1.00 0.00 C ATOM 1445 CE1 PHE A 92 -9.610 -1.432 -0.597 1.00 0.00 C ATOM 1446 CE2 PHE A 92 -10.764 -0.363 -2.454 1.00 0.00 C ATOM 1447 CZ PHE A 92 -9.981 -1.418 -1.951 1.00 0.00 C ATOM 0 H PHE A 92 -13.723 2.478 1.177 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.057 0.082 1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.820 2.499 0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -10.400 2.263 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.745 -0.405 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.765 1.479 -1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.006 -2.239 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.051 -0.351 -3.495 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.665 -2.217 -2.606 1.00 0.00 H new ATOM 1457 N LEU A 93 -12.424 2.624 3.657 1.00 0.00 N ATOM 1458 CA LEU A 93 -12.008 3.259 4.937 1.00 0.00 C ATOM 1459 C LEU A 93 -12.554 2.499 6.133 1.00 0.00 C ATOM 1460 O LEU A 93 -12.484 2.993 7.242 1.00 0.00 O ATOM 1461 CB LEU A 93 -12.522 4.709 5.013 1.00 0.00 C ATOM 1462 CG LEU A 93 -11.457 5.709 4.539 1.00 0.00 C ATOM 1463 CD1 LEU A 93 -10.476 5.979 5.679 1.00 0.00 C ATOM 1464 CD2 LEU A 93 -10.701 5.157 3.326 1.00 0.00 C ATOM 0 H LEU A 93 -13.322 2.939 3.290 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.918 3.243 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.417 4.811 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.810 4.941 6.038 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.948 6.637 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.718 6.688 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.014 6.395 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.995 5.046 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.951 5.880 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.211 4.222 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.402 4.976 2.512 1.00 0.00 H new ATOM 1476 N ASN A 94 -13.076 1.311 5.978 1.00 0.00 N ATOM 1477 CA ASN A 94 -13.574 0.591 7.178 1.00 0.00 C ATOM 1478 C ASN A 94 -12.534 -0.441 7.587 1.00 0.00 C ATOM 1479 O ASN A 94 -11.557 -0.658 6.896 1.00 0.00 O ATOM 1480 CB ASN A 94 -14.900 -0.100 6.851 1.00 0.00 C ATOM 1481 CG ASN A 94 -15.999 0.958 6.703 1.00 0.00 C ATOM 1482 OD1 ASN A 94 -15.773 2.125 6.958 1.00 0.00 O ATOM 1483 ND2 ASN A 94 -17.191 0.600 6.307 1.00 0.00 N ATOM 0 H ASN A 94 -13.177 0.819 5.090 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.740 1.292 7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.806 -0.675 5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.161 -0.804 7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -17.928 1.299 6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -17.385 -0.378 6.092 1.00 0.00 H new ATOM 1490 N GLU A 95 -12.717 -1.069 8.705 1.00 0.00 N ATOM 1491 CA GLU A 95 -11.720 -2.075 9.154 1.00 0.00 C ATOM 1492 C GLU A 95 -11.897 -3.374 8.355 1.00 0.00 C ATOM 1493 O GLU A 95 -12.933 -4.006 8.404 1.00 0.00 O ATOM 1494 CB GLU A 95 -11.945 -2.369 10.639 1.00 0.00 C ATOM 1495 CG GLU A 95 -10.625 -2.788 11.277 1.00 0.00 C ATOM 1496 CD GLU A 95 -9.773 -1.544 11.526 1.00 0.00 C ATOM 1497 OE1 GLU A 95 -10.311 -0.453 11.436 1.00 0.00 O ATOM 1498 OE2 GLU A 95 -8.601 -1.700 11.810 1.00 0.00 O ATOM 0 H GLU A 95 -13.512 -0.932 9.330 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.714 -1.686 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.340 -1.485 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.686 -3.160 10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.810 -3.311 12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.095 -3.482 10.624 1.00 0.00 H new ATOM 1505 N HIS A 96 -10.890 -3.792 7.637 1.00 0.00 N ATOM 1506 CA HIS A 96 -10.998 -5.060 6.860 1.00 0.00 C ATOM 1507 C HIS A 96 -9.689 -5.843 7.041 1.00 0.00 C ATOM 1508 O HIS A 96 -8.614 -5.320 6.839 1.00 0.00 O ATOM 1509 CB HIS A 96 -11.262 -4.727 5.385 1.00 0.00 C ATOM 1510 CG HIS A 96 -10.180 -5.293 4.523 1.00 0.00 C ATOM 1511 ND1 HIS A 96 -10.400 -6.375 3.682 1.00 0.00 N ATOM 1512 CD2 HIS A 96 -8.862 -4.946 4.362 1.00 0.00 C ATOM 1513 CE1 HIS A 96 -9.241 -6.642 3.058 1.00 0.00 C ATOM 1514 NE2 HIS A 96 -8.282 -5.802 3.444 1.00 0.00 N ATOM 0 H HIS A 96 -9.995 -3.309 7.555 1.00 0.00 H new ATOM 0 HA HIS A 96 -11.826 -5.674 7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -12.227 -5.132 5.081 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.314 -3.646 5.253 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -11.280 -6.876 3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.360 -4.136 4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.104 -7.435 2.337 1.00 0.00 H new ATOM 1522 N THR A 97 -9.769 -7.078 7.479 1.00 0.00 N ATOM 1523 CA THR A 97 -8.519 -7.866 7.726 1.00 0.00 C ATOM 1524 C THR A 97 -8.588 -9.272 7.119 1.00 0.00 C ATOM 1525 O THR A 97 -9.642 -9.854 6.956 1.00 0.00 O ATOM 1526 CB THR A 97 -8.301 -7.998 9.234 1.00 0.00 C ATOM 1527 OG1 THR A 97 -8.151 -6.705 9.801 1.00 0.00 O ATOM 1528 CG2 THR A 97 -7.044 -8.833 9.496 1.00 0.00 C ATOM 0 H THR A 97 -10.640 -7.571 7.675 1.00 0.00 H new ATOM 0 HA THR A 97 -7.696 -7.332 7.251 1.00 0.00 H new ATOM 0 HB THR A 97 -9.159 -8.493 9.689 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.013 -6.786 10.768 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.888 -8.928 10.571 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.168 -9.824 9.059 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.181 -8.343 9.046 1.00 0.00 H new ATOM 1536 N HIS A 98 -7.439 -9.820 6.824 1.00 0.00 N ATOM 1537 CA HIS A 98 -7.368 -11.204 6.266 1.00 0.00 C ATOM 1538 C HIS A 98 -6.371 -12.027 7.084 1.00 0.00 C ATOM 1539 O HIS A 98 -5.557 -11.491 7.809 1.00 0.00 O ATOM 1540 CB HIS A 98 -6.897 -11.175 4.817 1.00 0.00 C ATOM 1541 CG HIS A 98 -6.324 -9.836 4.490 1.00 0.00 C ATOM 1542 ND1 HIS A 98 -5.048 -9.446 4.883 1.00 0.00 N ATOM 1543 CD2 HIS A 98 -6.845 -8.787 3.797 1.00 0.00 C ATOM 1544 CE1 HIS A 98 -4.852 -8.195 4.420 1.00 0.00 C ATOM 1545 NE2 HIS A 98 -5.920 -7.762 3.753 1.00 0.00 N ATOM 0 H HIS A 98 -6.536 -9.363 6.947 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.363 -11.648 6.312 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.147 -11.949 4.655 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.731 -11.395 4.151 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -4.384 -10.003 5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.828 -8.760 3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.950 -7.621 4.570 1.00 0.00 H new ATOM 1553 N GLY A 99 -6.437 -13.328 6.975 1.00 0.00 N ATOM 1554 CA GLY A 99 -5.502 -14.196 7.748 1.00 0.00 C ATOM 1555 C GLY A 99 -4.187 -14.387 6.983 1.00 0.00 C ATOM 1556 O GLY A 99 -3.482 -15.355 7.185 1.00 0.00 O ATOM 0 H GLY A 99 -7.100 -13.827 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.301 -13.748 8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.966 -15.165 7.933 1.00 0.00 H new ATOM 1560 N GLU A 100 -3.830 -13.464 6.129 1.00 0.00 N ATOM 1561 CA GLU A 100 -2.543 -13.566 5.381 1.00 0.00 C ATOM 1562 C GLU A 100 -2.039 -12.136 5.203 1.00 0.00 C ATOM 1563 O GLU A 100 -2.800 -11.207 5.377 1.00 0.00 O ATOM 1564 CB GLU A 100 -2.777 -14.200 4.007 1.00 0.00 C ATOM 1565 CG GLU A 100 -4.059 -13.635 3.389 1.00 0.00 C ATOM 1566 CD GLU A 100 -5.273 -14.349 3.987 1.00 0.00 C ATOM 1567 OE1 GLU A 100 -5.071 -15.266 4.765 1.00 0.00 O ATOM 1568 OE2 GLU A 100 -6.383 -13.972 3.650 1.00 0.00 O ATOM 0 H GLU A 100 -4.383 -12.634 5.916 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.825 -14.185 5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.928 -13.999 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.855 -15.283 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.125 -12.564 3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.043 -13.767 2.307 1.00 0.00 H new ATOM 1575 N ASP A 101 -0.799 -11.895 4.879 1.00 0.00 N ATOM 1576 CA ASP A 101 -0.370 -10.482 4.727 1.00 0.00 C ATOM 1577 C ASP A 101 -0.959 -9.916 3.435 1.00 0.00 C ATOM 1578 O ASP A 101 -1.835 -10.501 2.829 1.00 0.00 O ATOM 1579 CB ASP A 101 1.159 -10.437 4.647 1.00 0.00 C ATOM 1580 CG ASP A 101 1.611 -10.949 3.279 1.00 0.00 C ATOM 1581 OD1 ASP A 101 0.822 -11.612 2.628 1.00 0.00 O ATOM 1582 OD2 ASP A 101 2.738 -10.667 2.904 1.00 0.00 O ATOM 0 H ASP A 101 -0.080 -12.600 4.716 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.716 -9.892 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.512 -9.417 4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.594 -11.048 5.438 1.00 0.00 H new ATOM 1587 N GLU A 102 -0.476 -8.789 3.001 1.00 0.00 N ATOM 1588 CA GLU A 102 -0.984 -8.202 1.733 1.00 0.00 C ATOM 1589 C GLU A 102 0.102 -7.331 1.115 1.00 0.00 C ATOM 1590 O GLU A 102 0.671 -6.493 1.776 1.00 0.00 O ATOM 1591 CB GLU A 102 -2.219 -7.354 2.021 1.00 0.00 C ATOM 1592 CG GLU A 102 -2.854 -6.920 0.705 1.00 0.00 C ATOM 1593 CD GLU A 102 -4.057 -6.037 1.009 1.00 0.00 C ATOM 1594 OE1 GLU A 102 -4.304 -5.798 2.178 1.00 0.00 O ATOM 1595 OE2 GLU A 102 -4.713 -5.622 0.074 1.00 0.00 O ATOM 0 H GLU A 102 0.250 -8.248 3.470 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.251 -9.000 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.935 -7.924 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.944 -6.479 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.130 -6.376 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.162 -7.792 0.129 1.00 0.00 H new ATOM 1602 N VAL A 103 0.384 -7.505 -0.146 1.00 0.00 N ATOM 1603 CA VAL A 103 1.431 -6.666 -0.788 1.00 0.00 C ATOM 1604 C VAL A 103 0.767 -5.656 -1.707 1.00 0.00 C ATOM 1605 O VAL A 103 -0.014 -6.017 -2.565 1.00 0.00 O ATOM 1606 CB VAL A 103 2.359 -7.552 -1.624 1.00 0.00 C ATOM 1607 CG1 VAL A 103 3.464 -6.697 -2.246 1.00 0.00 C ATOM 1608 CG2 VAL A 103 2.978 -8.629 -0.732 1.00 0.00 C ATOM 0 H VAL A 103 -0.063 -8.189 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 103 2.005 -6.154 -0.016 1.00 0.00 H new ATOM 0 HB VAL A 103 1.785 -8.029 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.123 -7.330 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.018 -5.936 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.040 -6.215 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.638 -9.259 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.550 -8.156 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.187 -9.241 -0.298 1.00 0.00 H new ATOM 1618 N ARG A 104 1.069 -4.393 -1.541 1.00 0.00 N ATOM 1619 CA ARG A 104 0.444 -3.379 -2.423 1.00 0.00 C ATOM 1620 C ARG A 104 1.518 -2.554 -3.129 1.00 0.00 C ATOM 1621 O ARG A 104 2.420 -2.022 -2.513 1.00 0.00 O ATOM 1622 CB ARG A 104 -0.463 -2.447 -1.623 1.00 0.00 C ATOM 1623 CG ARG A 104 -1.533 -3.261 -0.895 1.00 0.00 C ATOM 1624 CD ARG A 104 -2.545 -2.308 -0.258 1.00 0.00 C ATOM 1625 NE ARG A 104 -3.823 -3.032 -0.024 1.00 0.00 N ATOM 1626 CZ ARG A 104 -4.704 -3.121 -0.984 1.00 0.00 C ATOM 1627 NH1 ARG A 104 -4.466 -2.568 -2.142 1.00 0.00 N ATOM 1628 NH2 ARG A 104 -5.817 -3.769 -0.790 1.00 0.00 N ATOM 0 H ARG A 104 1.714 -4.029 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.156 -3.906 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.128 -1.880 -0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.934 -1.724 -2.289 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.036 -3.930 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.073 -3.886 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.155 -1.922 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.714 -1.450 -0.909 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.011 -3.458 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.592 -2.066 -2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.154 -2.638 -2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.001 -4.208 0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.504 -3.838 -1.540 1.00 0.00 H new ATOM 1642 N PHE A 105 1.407 -2.435 -4.423 1.00 0.00 N ATOM 1643 CA PHE A 105 2.391 -1.634 -5.202 1.00 0.00 C ATOM 1644 C PHE A 105 1.624 -0.565 -5.972 1.00 0.00 C ATOM 1645 O PHE A 105 0.761 -0.869 -6.770 1.00 0.00 O ATOM 1646 CB PHE A 105 3.130 -2.558 -6.179 1.00 0.00 C ATOM 1647 CG PHE A 105 3.994 -1.771 -7.138 1.00 0.00 C ATOM 1648 CD1 PHE A 105 4.875 -0.788 -6.669 1.00 0.00 C ATOM 1649 CD2 PHE A 105 3.932 -2.054 -8.511 1.00 0.00 C ATOM 1650 CE1 PHE A 105 5.686 -0.091 -7.571 1.00 0.00 C ATOM 1651 CE2 PHE A 105 4.742 -1.354 -9.407 1.00 0.00 C ATOM 1652 CZ PHE A 105 5.616 -0.376 -8.940 1.00 0.00 C ATOM 0 H PHE A 105 0.668 -2.864 -4.980 1.00 0.00 H new ATOM 0 HA PHE A 105 3.120 -1.165 -4.541 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.750 -3.259 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.407 -3.149 -6.740 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.928 -0.569 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.257 -2.814 -8.875 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.366 0.667 -7.211 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.691 -1.571 -10.464 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.241 0.164 -9.635 1.00 0.00 H new ATOM 1662 N PHE A 106 1.898 0.682 -5.727 1.00 0.00 N ATOM 1663 CA PHE A 106 1.140 1.763 -6.432 1.00 0.00 C ATOM 1664 C PHE A 106 1.830 2.102 -7.741 1.00 0.00 C ATOM 1665 O PHE A 106 2.893 2.624 -7.725 1.00 0.00 O ATOM 1666 CB PHE A 106 1.187 2.990 -5.527 1.00 0.00 C ATOM 1667 CG PHE A 106 0.381 2.687 -4.296 1.00 0.00 C ATOM 1668 CD1 PHE A 106 0.990 2.030 -3.224 1.00 0.00 C ATOM 1669 CD2 PHE A 106 -0.974 3.034 -4.235 1.00 0.00 C ATOM 1670 CE1 PHE A 106 0.244 1.716 -2.084 1.00 0.00 C ATOM 1671 CE2 PHE A 106 -1.721 2.725 -3.091 1.00 0.00 C ATOM 1672 CZ PHE A 106 -1.110 2.064 -2.015 1.00 0.00 C ATOM 0 H PHE A 106 2.610 1.005 -5.072 1.00 0.00 H new ATOM 0 HA PHE A 106 0.117 1.448 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.217 3.228 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.782 3.861 -6.043 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.036 1.765 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.442 3.538 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.713 1.205 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.765 2.995 -3.037 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.685 1.823 -1.133 1.00 0.00 H new ATOM 1682 N VAL A 107 1.258 1.832 -8.879 1.00 0.00 N ATOM 1683 CA VAL A 107 2.001 2.166 -10.133 1.00 0.00 C ATOM 1684 C VAL A 107 1.549 3.509 -10.688 1.00 0.00 C ATOM 1685 O VAL A 107 2.266 4.144 -11.435 1.00 0.00 O ATOM 1686 CB VAL A 107 1.750 1.084 -11.179 1.00 0.00 C ATOM 1687 CG1 VAL A 107 2.060 -0.284 -10.575 1.00 0.00 C ATOM 1688 CG2 VAL A 107 0.288 1.132 -11.627 1.00 0.00 C ATOM 0 H VAL A 107 0.338 1.408 -9.000 1.00 0.00 H new ATOM 0 HA VAL A 107 3.064 2.221 -9.898 1.00 0.00 H new ATOM 0 HB VAL A 107 2.394 1.254 -12.042 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.882 -1.059 -11.320 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.103 -0.315 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.416 -0.455 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.111 0.358 -12.374 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.361 0.963 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.072 2.109 -12.058 1.00 0.00 H new ATOM 1698 N GLU A 108 0.393 3.969 -10.328 1.00 0.00 N ATOM 1699 CA GLU A 108 -0.045 5.289 -10.838 1.00 0.00 C ATOM 1700 C GLU A 108 -0.845 5.990 -9.745 1.00 0.00 C ATOM 1701 O GLU A 108 -1.859 5.497 -9.291 1.00 0.00 O ATOM 1702 CB GLU A 108 -0.886 5.106 -12.107 1.00 0.00 C ATOM 1703 CG GLU A 108 0.020 4.680 -13.270 1.00 0.00 C ATOM 1704 CD GLU A 108 0.994 5.813 -13.602 1.00 0.00 C ATOM 1705 OE1 GLU A 108 0.748 6.925 -13.166 1.00 0.00 O ATOM 1706 OE2 GLU A 108 1.967 5.548 -14.290 1.00 0.00 O ATOM 0 H GLU A 108 -0.264 3.494 -9.708 1.00 0.00 H new ATOM 0 HA GLU A 108 0.819 5.901 -11.097 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.657 4.354 -11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.397 6.036 -12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.572 3.779 -13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.583 4.437 -14.145 1.00 0.00 H new ATOM 1713 N GLY A 109 -0.396 7.135 -9.313 1.00 0.00 N ATOM 1714 CA GLY A 109 -1.127 7.864 -8.246 1.00 0.00 C ATOM 1715 C GLY A 109 -0.536 7.527 -6.876 1.00 0.00 C ATOM 1716 O GLY A 109 0.376 6.733 -6.746 1.00 0.00 O ATOM 0 H GLY A 109 0.447 7.596 -9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.066 8.938 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.183 7.596 -8.270 1.00 0.00 H new ATOM 1720 N ALA A 110 -1.050 8.152 -5.858 1.00 0.00 N ATOM 1721 CA ALA A 110 -0.531 7.910 -4.484 1.00 0.00 C ATOM 1722 C ALA A 110 -1.693 7.771 -3.494 1.00 0.00 C ATOM 1723 O ALA A 110 -2.760 8.320 -3.683 1.00 0.00 O ATOM 1724 CB ALA A 110 0.354 9.087 -4.063 1.00 0.00 C ATOM 0 H ALA A 110 -1.813 8.826 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 110 0.050 6.987 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.736 8.913 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.189 9.181 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.233 10.006 -4.075 1.00 0.00 H new ATOM 1730 N GLY A 111 -1.475 7.043 -2.433 1.00 0.00 N ATOM 1731 CA GLY A 111 -2.539 6.858 -1.406 1.00 0.00 C ATOM 1732 C GLY A 111 -1.903 6.892 -0.012 1.00 0.00 C ATOM 1733 O GLY A 111 -0.779 6.469 0.174 1.00 0.00 O ATOM 0 H GLY A 111 -0.597 6.564 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.289 7.644 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.051 5.909 -1.562 1.00 0.00 H new ATOM 1737 N LEU A 112 -2.611 7.384 0.971 1.00 0.00 N ATOM 1738 CA LEU A 112 -2.037 7.430 2.348 1.00 0.00 C ATOM 1739 C LEU A 112 -2.368 6.117 3.057 1.00 0.00 C ATOM 1740 O LEU A 112 -3.516 5.802 3.299 1.00 0.00 O ATOM 1741 CB LEU A 112 -2.656 8.594 3.128 1.00 0.00 C ATOM 1742 CG LEU A 112 -1.569 9.354 3.896 1.00 0.00 C ATOM 1743 CD1 LEU A 112 -0.781 8.387 4.786 1.00 0.00 C ATOM 1744 CD2 LEU A 112 -0.616 10.016 2.903 1.00 0.00 C ATOM 0 H LEU A 112 -3.557 7.754 0.881 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.957 7.570 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.167 9.270 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -3.407 8.217 3.823 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.039 10.114 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.011 8.936 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.458 7.914 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.313 7.622 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.158 10.557 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.154 9.252 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.171 10.712 2.274 1.00 0.00 H new ATOM 1756 N PHE A 113 -1.370 5.348 3.383 1.00 0.00 N ATOM 1757 CA PHE A 113 -1.624 4.048 4.066 1.00 0.00 C ATOM 1758 C PHE A 113 -1.249 4.167 5.545 1.00 0.00 C ATOM 1759 O PHE A 113 -0.161 4.587 5.885 1.00 0.00 O ATOM 1760 CB PHE A 113 -0.780 2.961 3.401 1.00 0.00 C ATOM 1761 CG PHE A 113 -1.097 1.626 4.019 1.00 0.00 C ATOM 1762 CD1 PHE A 113 -2.298 0.966 3.713 1.00 0.00 C ATOM 1763 CD2 PHE A 113 -0.182 1.043 4.898 1.00 0.00 C ATOM 1764 CE1 PHE A 113 -2.575 -0.277 4.292 1.00 0.00 C ATOM 1765 CE2 PHE A 113 -0.460 -0.195 5.476 1.00 0.00 C ATOM 1766 CZ PHE A 113 -1.655 -0.858 5.175 1.00 0.00 C ATOM 0 H PHE A 113 -0.388 5.562 3.207 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.679 3.787 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.982 2.934 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.280 3.186 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.006 1.417 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.742 1.552 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.497 -0.788 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.248 -0.643 6.157 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.868 -1.817 5.623 1.00 0.00 H new ATOM 1776 N CYS A 114 -2.147 3.804 6.428 1.00 0.00 N ATOM 1777 CA CYS A 114 -1.847 3.899 7.885 1.00 0.00 C ATOM 1778 C CYS A 114 -1.948 2.513 8.519 1.00 0.00 C ATOM 1779 O CYS A 114 -2.947 1.833 8.383 1.00 0.00 O ATOM 1780 CB CYS A 114 -2.853 4.840 8.550 1.00 0.00 C ATOM 1781 SG CYS A 114 -2.013 5.827 9.814 1.00 0.00 S ATOM 0 H CYS A 114 -3.074 3.446 6.200 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.838 4.287 8.024 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -3.304 5.494 7.803 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.662 4.265 9.001 1.00 0.00 H new ATOM 0 HG CYS A 114 -0.745 5.539 9.818 1.00 0.00 H new ATOM 1787 N LEU A 115 -0.927 2.090 9.213 1.00 0.00 N ATOM 1788 CA LEU A 115 -0.966 0.748 9.863 1.00 0.00 C ATOM 1789 C LEU A 115 -0.984 0.917 11.380 1.00 0.00 C ATOM 1790 O LEU A 115 -0.200 1.653 11.943 1.00 0.00 O ATOM 1791 CB LEU A 115 0.271 -0.054 9.454 1.00 0.00 C ATOM 1792 CG LEU A 115 0.229 -1.435 10.114 1.00 0.00 C ATOM 1793 CD1 LEU A 115 -1.018 -2.190 9.653 1.00 0.00 C ATOM 1794 CD2 LEU A 115 1.475 -2.224 9.708 1.00 0.00 C ATOM 0 H LEU A 115 -0.066 2.616 9.359 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.864 0.218 9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.307 -0.159 8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.176 0.476 9.753 1.00 0.00 H new ATOM 0 HG LEU A 115 0.200 -1.318 11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.044 -3.172 10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.908 -1.628 9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.992 -2.309 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.450 -3.208 10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.497 -2.337 8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.367 -1.689 10.035 1.00 0.00 H new ATOM 1806 N HIS A 116 -1.871 0.238 12.049 1.00 0.00 N ATOM 1807 CA HIS A 116 -1.930 0.357 13.530 1.00 0.00 C ATOM 1808 C HIS A 116 -1.165 -0.809 14.155 1.00 0.00 C ATOM 1809 O HIS A 116 -1.552 -1.953 14.027 1.00 0.00 O ATOM 1810 CB HIS A 116 -3.391 0.317 13.983 1.00 0.00 C ATOM 1811 CG HIS A 116 -3.583 1.251 15.145 1.00 0.00 C ATOM 1812 ND1 HIS A 116 -2.520 1.722 15.901 1.00 0.00 N ATOM 1813 CD2 HIS A 116 -4.712 1.804 15.699 1.00 0.00 C ATOM 1814 CE1 HIS A 116 -3.024 2.521 16.859 1.00 0.00 C ATOM 1815 NE2 HIS A 116 -4.353 2.604 16.779 1.00 0.00 N ATOM 0 H HIS A 116 -2.557 -0.393 11.635 1.00 0.00 H new ATOM 0 HA HIS A 116 -1.481 1.299 13.845 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -4.046 0.604 13.160 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -3.666 -0.698 14.270 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.721 1.643 15.350 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -2.427 3.031 17.600 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.975 3.141 17.383 1.00 0.00 H new ATOM 1824 N ILE A 117 -0.082 -0.528 14.832 1.00 0.00 N ATOM 1825 CA ILE A 117 0.706 -1.622 15.467 1.00 0.00 C ATOM 1826 C ILE A 117 0.949 -1.283 16.944 1.00 0.00 C ATOM 1827 O ILE A 117 1.721 -0.405 17.274 1.00 0.00 O ATOM 1828 CB ILE A 117 2.047 -1.764 14.745 1.00 0.00 C ATOM 1829 CG1 ILE A 117 2.787 -2.991 15.283 1.00 0.00 C ATOM 1830 CG2 ILE A 117 2.891 -0.512 14.985 1.00 0.00 C ATOM 1831 CD1 ILE A 117 2.791 -4.098 14.221 1.00 0.00 C ATOM 0 H ILE A 117 0.289 0.412 14.972 1.00 0.00 H new ATOM 0 HA ILE A 117 0.155 -2.560 15.397 1.00 0.00 H new ATOM 0 HB ILE A 117 1.874 -1.884 13.676 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.810 -2.724 15.548 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.305 -3.348 16.193 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.847 -0.613 14.471 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.363 0.361 14.602 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.066 -0.390 16.054 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.319 -4.970 14.607 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.765 -4.373 13.978 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.293 -3.739 13.323 1.00 0.00 H new ATOM 1843 N GLY A 118 0.289 -1.975 17.830 1.00 0.00 N ATOM 1844 CA GLY A 118 0.470 -1.700 19.288 1.00 0.00 C ATOM 1845 C GLY A 118 -0.037 -0.288 19.617 1.00 0.00 C ATOM 1846 O GLY A 118 -1.117 0.098 19.217 1.00 0.00 O ATOM 0 H GLY A 118 -0.370 -2.722 17.610 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.074 -2.438 19.877 1.00 0.00 H new ATOM 0 HA3 GLY A 118 1.522 -1.790 19.557 1.00 0.00 H new ATOM 1850 N ASP A 119 0.727 0.484 20.352 1.00 0.00 N ATOM 1851 CA ASP A 119 0.284 1.866 20.713 1.00 0.00 C ATOM 1852 C ASP A 119 0.953 2.888 19.791 1.00 0.00 C ATOM 1853 O ASP A 119 1.122 4.038 20.142 1.00 0.00 O ATOM 1854 CB ASP A 119 0.668 2.166 22.161 1.00 0.00 C ATOM 1855 CG ASP A 119 2.188 2.086 22.317 1.00 0.00 C ATOM 1856 OD1 ASP A 119 2.868 2.913 21.733 1.00 0.00 O ATOM 1857 OD2 ASP A 119 2.645 1.199 23.018 1.00 0.00 O ATOM 0 H ASP A 119 1.640 0.215 20.718 1.00 0.00 H new ATOM 0 HA ASP A 119 -0.798 1.932 20.599 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.315 3.158 22.443 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.186 1.454 22.831 1.00 0.00 H new ATOM 1862 N GLU A 120 1.335 2.481 18.616 1.00 0.00 N ATOM 1863 CA GLU A 120 1.984 3.432 17.667 1.00 0.00 C ATOM 1864 C GLU A 120 1.286 3.339 16.312 1.00 0.00 C ATOM 1865 O GLU A 120 0.814 2.286 15.928 1.00 0.00 O ATOM 1866 CB GLU A 120 3.454 3.056 17.484 1.00 0.00 C ATOM 1867 CG GLU A 120 4.314 3.770 18.525 1.00 0.00 C ATOM 1868 CD GLU A 120 5.783 3.416 18.298 1.00 0.00 C ATOM 1869 OE1 GLU A 120 6.043 2.555 17.475 1.00 0.00 O ATOM 1870 OE2 GLU A 120 6.624 4.012 18.950 1.00 0.00 O ATOM 0 H GLU A 120 1.227 1.528 18.268 1.00 0.00 H new ATOM 0 HA GLU A 120 1.909 4.444 18.065 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.576 1.977 17.579 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.784 3.327 16.481 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.173 4.848 18.452 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.008 3.476 19.529 1.00 0.00 H new ATOM 1877 N VAL A 121 1.217 4.417 15.575 1.00 0.00 N ATOM 1878 CA VAL A 121 0.556 4.373 14.241 1.00 0.00 C ATOM 1879 C VAL A 121 1.586 4.772 13.183 1.00 0.00 C ATOM 1880 O VAL A 121 2.238 5.789 13.300 1.00 0.00 O ATOM 1881 CB VAL A 121 -0.596 5.385 14.226 1.00 0.00 C ATOM 1882 CG1 VAL A 121 -1.817 4.768 13.544 1.00 0.00 C ATOM 1883 CG2 VAL A 121 -0.953 5.773 15.663 1.00 0.00 C ATOM 0 H VAL A 121 1.592 5.327 15.842 1.00 0.00 H new ATOM 0 HA VAL A 121 0.171 3.374 14.037 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.288 6.274 13.675 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.633 5.491 13.536 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.563 4.496 12.520 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.127 3.877 14.090 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.772 6.492 15.653 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.258 4.884 16.215 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.084 6.219 16.146 1.00 0.00 H new ATOM 1893 N PHE A 122 1.762 3.983 12.163 1.00 0.00 N ATOM 1894 CA PHE A 122 2.774 4.328 11.129 1.00 0.00 C ATOM 1895 C PHE A 122 2.121 5.192 10.044 1.00 0.00 C ATOM 1896 O PHE A 122 1.049 4.891 9.557 1.00 0.00 O ATOM 1897 CB PHE A 122 3.300 3.033 10.498 1.00 0.00 C ATOM 1898 CG PHE A 122 4.396 2.439 11.355 1.00 0.00 C ATOM 1899 CD1 PHE A 122 4.249 2.356 12.748 1.00 0.00 C ATOM 1900 CD2 PHE A 122 5.566 1.966 10.750 1.00 0.00 C ATOM 1901 CE1 PHE A 122 5.272 1.805 13.528 1.00 0.00 C ATOM 1902 CE2 PHE A 122 6.587 1.413 11.532 1.00 0.00 C ATOM 1903 CZ PHE A 122 6.439 1.333 12.920 1.00 0.00 C ATOM 0 H PHE A 122 1.250 3.116 12.000 1.00 0.00 H new ATOM 0 HA PHE A 122 3.596 4.880 11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.486 2.317 10.389 1.00 0.00 H new ATOM 0 HB3 PHE A 122 3.681 3.237 9.497 1.00 0.00 H new ATOM 0 HD1 PHE A 122 3.346 2.717 13.218 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.681 2.028 9.678 1.00 0.00 H new ATOM 0 HE1 PHE A 122 5.160 1.744 14.600 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.489 1.048 11.063 1.00 0.00 H new ATOM 0 HZ PHE A 122 7.227 0.906 13.523 1.00 0.00 H new ATOM 1913 N GLN A 123 2.784 6.249 9.644 1.00 0.00 N ATOM 1914 CA GLN A 123 2.238 7.118 8.562 1.00 0.00 C ATOM 1915 C GLN A 123 3.275 7.196 7.436 1.00 0.00 C ATOM 1916 O GLN A 123 4.255 7.907 7.538 1.00 0.00 O ATOM 1917 CB GLN A 123 1.959 8.521 9.110 1.00 0.00 C ATOM 1918 CG GLN A 123 1.107 9.295 8.105 1.00 0.00 C ATOM 1919 CD GLN A 123 0.892 10.721 8.612 1.00 0.00 C ATOM 1920 OE1 GLN A 123 1.830 11.486 8.728 1.00 0.00 O ATOM 1921 NE2 GLN A 123 -0.312 11.115 8.918 1.00 0.00 N ATOM 0 H GLN A 123 3.683 6.546 10.023 1.00 0.00 H new ATOM 0 HA GLN A 123 1.304 6.701 8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.442 8.454 10.067 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.897 9.047 9.290 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.599 9.314 7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.147 8.798 7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -1.099 10.473 8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -0.468 12.065 9.255 1.00 0.00 H new ATOM 1930 N VAL A 124 3.068 6.469 6.371 1.00 0.00 N ATOM 1931 CA VAL A 124 4.048 6.501 5.246 1.00 0.00 C ATOM 1932 C VAL A 124 3.343 6.667 3.898 1.00 0.00 C ATOM 1933 O VAL A 124 2.298 6.098 3.656 1.00 0.00 O ATOM 1934 CB VAL A 124 4.857 5.202 5.237 1.00 0.00 C ATOM 1935 CG1 VAL A 124 3.906 4.005 5.272 1.00 0.00 C ATOM 1936 CG2 VAL A 124 5.700 5.134 3.957 1.00 0.00 C ATOM 0 H VAL A 124 2.265 5.856 6.231 1.00 0.00 H new ATOM 0 HA VAL A 124 4.708 7.355 5.395 1.00 0.00 H new ATOM 0 HB VAL A 124 5.509 5.178 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.484 3.081 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.300 4.048 6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.255 4.032 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.277 4.209 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.044 5.159 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.380 5.985 3.923 1.00 0.00 H new ATOM 1946 N LEU A 125 3.918 7.439 3.015 1.00 0.00 N ATOM 1947 CA LEU A 125 3.293 7.639 1.680 1.00 0.00 C ATOM 1948 C LEU A 125 3.692 6.465 0.788 1.00 0.00 C ATOM 1949 O LEU A 125 4.791 5.948 0.884 1.00 0.00 O ATOM 1950 CB LEU A 125 3.799 8.945 1.061 1.00 0.00 C ATOM 1951 CG LEU A 125 3.152 10.133 1.767 1.00 0.00 C ATOM 1952 CD1 LEU A 125 3.476 10.080 3.261 1.00 0.00 C ATOM 1953 CD2 LEU A 125 3.695 11.434 1.175 1.00 0.00 C ATOM 0 H LEU A 125 4.794 7.939 3.163 1.00 0.00 H new ATOM 0 HA LEU A 125 2.209 7.693 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.884 9.004 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.564 8.970 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 125 2.072 10.092 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.013 10.929 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.090 9.153 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.556 10.120 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.233 12.283 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.775 11.474 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.464 11.474 0.111 1.00 0.00 H new ATOM 1965 N CYS A 126 2.795 6.027 -0.056 1.00 0.00 N ATOM 1966 CA CYS A 126 3.094 4.867 -0.941 1.00 0.00 C ATOM 1967 C CYS A 126 2.964 5.277 -2.409 1.00 0.00 C ATOM 1968 O CYS A 126 1.966 5.827 -2.830 1.00 0.00 O ATOM 1969 CB CYS A 126 2.108 3.744 -0.630 1.00 0.00 C ATOM 1970 SG CYS A 126 0.419 4.329 -0.928 1.00 0.00 S ATOM 0 H CYS A 126 1.863 6.427 -0.170 1.00 0.00 H new ATOM 0 HA CYS A 126 4.114 4.526 -0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 126 2.320 2.876 -1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 126 2.217 3.426 0.407 1.00 0.00 H new ATOM 0 HG CYS A 126 -0.275 3.384 -1.491 1.00 0.00 H new ATOM 1976 N GLU A 127 3.967 4.993 -3.190 1.00 0.00 N ATOM 1977 CA GLU A 127 3.915 5.342 -4.636 1.00 0.00 C ATOM 1978 C GLU A 127 4.630 4.264 -5.454 1.00 0.00 C ATOM 1979 O GLU A 127 5.281 3.393 -4.919 1.00 0.00 O ATOM 1980 CB GLU A 127 4.604 6.690 -4.861 1.00 0.00 C ATOM 1981 CG GLU A 127 3.889 7.774 -4.050 1.00 0.00 C ATOM 1982 CD GLU A 127 4.542 9.132 -4.321 1.00 0.00 C ATOM 1983 OE1 GLU A 127 5.596 9.150 -4.937 1.00 0.00 O ATOM 1984 OE2 GLU A 127 3.977 10.131 -3.907 1.00 0.00 O ATOM 0 H GLU A 127 4.825 4.532 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 127 2.874 5.405 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.651 6.629 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.589 6.945 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.833 7.807 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.940 7.540 -2.987 1.00 0.00 H new ATOM 1991 N LYS A 128 4.531 4.338 -6.753 1.00 0.00 N ATOM 1992 CA LYS A 128 5.223 3.349 -7.638 1.00 0.00 C ATOM 1993 C LYS A 128 6.691 3.294 -7.276 1.00 0.00 C ATOM 1994 O LYS A 128 7.459 2.528 -7.825 1.00 0.00 O ATOM 1995 CB LYS A 128 5.035 3.792 -9.088 1.00 0.00 C ATOM 1996 CG LYS A 128 6.020 4.919 -9.411 1.00 0.00 C ATOM 1997 CD LYS A 128 5.505 5.726 -10.607 1.00 0.00 C ATOM 1998 CE LYS A 128 4.548 6.817 -10.116 1.00 0.00 C ATOM 1999 NZ LYS A 128 3.658 7.239 -11.235 1.00 0.00 N ATOM 0 H LYS A 128 3.994 5.050 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 128 4.803 2.351 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 128 5.197 2.950 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 128 4.012 4.133 -9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 128 6.140 5.570 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 128 7.002 4.504 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 128 6.341 6.176 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.993 5.068 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 128 3.951 6.444 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 128 5.114 7.672 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.008 7.980 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.235 7.611 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 3.109 6.421 -11.569 1.00 0.00 H new ATOM 2013 N ASN A 129 7.080 4.083 -6.337 1.00 0.00 N ATOM 2014 CA ASN A 129 8.490 4.059 -5.905 1.00 0.00 C ATOM 2015 C ASN A 129 8.736 2.821 -5.045 1.00 0.00 C ATOM 2016 O ASN A 129 9.583 2.002 -5.344 1.00 0.00 O ATOM 2017 CB ASN A 129 8.792 5.305 -5.091 1.00 0.00 C ATOM 2018 CG ASN A 129 8.578 6.545 -5.957 1.00 0.00 C ATOM 2019 OD1 ASN A 129 8.541 6.457 -7.169 1.00 0.00 O ATOM 2020 ND2 ASN A 129 8.437 7.707 -5.383 1.00 0.00 N ATOM 0 H ASN A 129 6.483 4.748 -5.845 1.00 0.00 H new ATOM 0 HA ASN A 129 9.138 4.031 -6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 129 8.145 5.345 -4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 129 9.819 5.275 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 129 8.296 8.542 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 129 8.468 7.781 -4.366 1.00 0.00 H new ATOM 2027 N ASP A 130 8.013 2.694 -3.960 1.00 0.00 N ATOM 2028 CA ASP A 130 8.217 1.522 -3.057 1.00 0.00 C ATOM 2029 C ASP A 130 7.020 0.553 -3.074 1.00 0.00 C ATOM 2030 O ASP A 130 6.090 0.669 -3.869 1.00 0.00 O ATOM 2031 CB ASP A 130 8.466 2.018 -1.630 1.00 0.00 C ATOM 2032 CG ASP A 130 9.124 3.401 -1.672 1.00 0.00 C ATOM 2033 OD1 ASP A 130 9.925 3.628 -2.564 1.00 0.00 O ATOM 2034 OD2 ASP A 130 8.818 4.210 -0.809 1.00 0.00 O ATOM 0 H ASP A 130 7.292 3.351 -3.662 1.00 0.00 H new ATOM 0 HA ASP A 130 9.083 0.969 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.525 2.069 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 130 9.107 1.316 -1.097 1.00 0.00 H new ATOM 2039 N LEU A 131 7.031 -0.381 -2.151 1.00 0.00 N ATOM 2040 CA LEU A 131 5.919 -1.365 -2.039 1.00 0.00 C ATOM 2041 C LEU A 131 5.743 -1.791 -0.583 1.00 0.00 C ATOM 2042 O LEU A 131 6.545 -2.536 -0.053 1.00 0.00 O ATOM 2043 CB LEU A 131 6.283 -2.568 -2.886 1.00 0.00 C ATOM 2044 CG LEU A 131 5.436 -3.802 -2.484 1.00 0.00 C ATOM 2045 CD1 LEU A 131 5.066 -4.633 -3.722 1.00 0.00 C ATOM 2046 CD2 LEU A 131 6.209 -4.718 -1.514 1.00 0.00 C ATOM 0 H LEU A 131 7.776 -0.500 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 131 4.983 -0.923 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 131 6.122 -2.339 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.343 -2.795 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 131 4.536 -3.424 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.472 -5.494 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 131 4.488 -4.019 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.976 -4.976 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 131 5.589 -5.575 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 131 7.124 -5.066 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 131 6.462 -4.162 -0.611 1.00 0.00 H new ATOM 2058 N ILE A 132 4.735 -1.319 0.078 1.00 0.00 N ATOM 2059 CA ILE A 132 4.562 -1.690 1.501 1.00 0.00 C ATOM 2060 C ILE A 132 3.565 -2.834 1.619 1.00 0.00 C ATOM 2061 O ILE A 132 2.580 -2.898 0.912 1.00 0.00 O ATOM 2062 CB ILE A 132 4.017 -0.479 2.236 1.00 0.00 C ATOM 2063 CG1 ILE A 132 4.147 -0.678 3.748 1.00 0.00 C ATOM 2064 CG2 ILE A 132 2.536 -0.291 1.883 1.00 0.00 C ATOM 2065 CD1 ILE A 132 3.785 0.624 4.462 1.00 0.00 C ATOM 0 H ILE A 132 4.024 -0.694 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 132 5.515 -2.005 1.925 1.00 0.00 H new ATOM 0 HB ILE A 132 4.587 0.401 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 132 3.490 -1.482 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.165 -0.974 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 132 2.144 0.579 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 132 2.434 -0.140 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 132 1.976 -1.178 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.877 0.486 5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 132 4.461 1.416 4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.759 0.900 4.217 1.00 0.00 H new ATOM 2077 N SER A 133 3.832 -3.747 2.509 1.00 0.00 N ATOM 2078 CA SER A 133 2.928 -4.909 2.691 1.00 0.00 C ATOM 2079 C SER A 133 2.774 -5.165 4.188 1.00 0.00 C ATOM 2080 O SER A 133 3.747 -5.206 4.903 1.00 0.00 O ATOM 2081 CB SER A 133 3.579 -6.131 2.040 1.00 0.00 C ATOM 2082 OG SER A 133 4.650 -6.575 2.864 1.00 0.00 O ATOM 0 H SER A 133 4.647 -3.735 3.123 1.00 0.00 H new ATOM 0 HA SER A 133 1.954 -4.718 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 133 2.845 -6.927 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 133 3.948 -5.877 1.046 1.00 0.00 H new ATOM 0 HG SER A 133 4.783 -5.940 3.598 1.00 0.00 H new ATOM 2088 N VAL A 134 1.574 -5.316 4.682 1.00 0.00 N ATOM 2089 CA VAL A 134 1.403 -5.537 6.148 1.00 0.00 C ATOM 2090 C VAL A 134 1.027 -6.998 6.415 1.00 0.00 C ATOM 2091 O VAL A 134 0.390 -7.631 5.606 1.00 0.00 O ATOM 2092 CB VAL A 134 0.273 -4.639 6.642 1.00 0.00 C ATOM 2093 CG1 VAL A 134 0.652 -3.174 6.425 1.00 0.00 C ATOM 2094 CG2 VAL A 134 -1.005 -4.954 5.858 1.00 0.00 C ATOM 0 H VAL A 134 0.711 -5.296 4.139 1.00 0.00 H new ATOM 0 HA VAL A 134 2.334 -5.305 6.665 1.00 0.00 H new ATOM 0 HB VAL A 134 0.105 -4.817 7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -0.156 -2.533 6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 134 1.563 -2.948 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.819 -2.995 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -1.814 -4.314 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -0.834 -4.774 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -1.277 -5.999 6.010 1.00 0.00 H new ATOM 2104 N PRO A 135 1.420 -7.530 7.545 1.00 0.00 N ATOM 2105 CA PRO A 135 1.125 -8.945 7.908 1.00 0.00 C ATOM 2106 C PRO A 135 -0.349 -9.184 8.225 1.00 0.00 C ATOM 2107 O PRO A 135 -1.141 -8.267 8.294 1.00 0.00 O ATOM 2108 CB PRO A 135 1.972 -9.196 9.152 1.00 0.00 C ATOM 2109 CG PRO A 135 2.181 -7.852 9.759 1.00 0.00 C ATOM 2110 CD PRO A 135 2.178 -6.848 8.607 1.00 0.00 C ATOM 0 HA PRO A 135 1.351 -9.614 7.078 1.00 0.00 H new ATOM 0 HB2 PRO A 135 1.464 -9.867 9.845 1.00 0.00 H new ATOM 0 HB3 PRO A 135 2.922 -9.664 8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 135 1.391 -7.623 10.475 1.00 0.00 H new ATOM 0 HG3 PRO A 135 3.125 -7.815 10.303 1.00 0.00 H new ATOM 0 HD2 PRO A 135 1.705 -5.910 8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 135 3.191 -6.608 8.284 1.00 0.00 H new ATOM 2118 N ALA A 136 -0.716 -10.418 8.417 1.00 0.00 N ATOM 2119 CA ALA A 136 -2.134 -10.736 8.737 1.00 0.00 C ATOM 2120 C ALA A 136 -2.427 -10.373 10.191 1.00 0.00 C ATOM 2121 O ALA A 136 -1.562 -9.929 10.920 1.00 0.00 O ATOM 2122 CB ALA A 136 -2.388 -12.226 8.533 1.00 0.00 C ATOM 0 H ALA A 136 -0.093 -11.224 8.366 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.784 -10.161 8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.428 -12.453 8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.185 -12.491 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.733 -12.800 9.189 1.00 0.00 H new ATOM 2128 N HIS A 137 -3.650 -10.557 10.610 1.00 0.00 N ATOM 2129 CA HIS A 137 -4.035 -10.230 12.012 1.00 0.00 C ATOM 2130 C HIS A 137 -3.790 -8.747 12.286 1.00 0.00 C ATOM 2131 O HIS A 137 -4.133 -8.234 13.332 1.00 0.00 O ATOM 2132 CB HIS A 137 -3.210 -11.075 12.985 1.00 0.00 C ATOM 2133 CG HIS A 137 -3.321 -12.521 12.594 1.00 0.00 C ATOM 2134 ND1 HIS A 137 -4.532 -13.089 12.237 1.00 0.00 N ATOM 2135 CD2 HIS A 137 -2.387 -13.523 12.488 1.00 0.00 C ATOM 2136 CE1 HIS A 137 -4.302 -14.378 11.933 1.00 0.00 C ATOM 2137 NE2 HIS A 137 -3.012 -14.692 12.072 1.00 0.00 N ATOM 0 H HIS A 137 -4.407 -10.924 10.033 1.00 0.00 H new ATOM 0 HA HIS A 137 -5.094 -10.450 12.151 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -2.167 -10.759 12.967 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -3.568 -10.932 14.004 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -1.332 -13.418 12.696 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -5.066 -15.073 11.616 1.00 0.00 H new ATOM 0 HE2 HIS A 137 -2.577 -15.600 11.907 1.00 0.00 H new ATOM 2146 N THR A 138 -3.226 -8.053 11.341 1.00 0.00 N ATOM 2147 CA THR A 138 -2.994 -6.601 11.542 1.00 0.00 C ATOM 2148 C THR A 138 -4.029 -5.828 10.708 1.00 0.00 C ATOM 2149 O THR A 138 -3.940 -5.800 9.498 1.00 0.00 O ATOM 2150 CB THR A 138 -1.580 -6.246 11.063 1.00 0.00 C ATOM 2151 OG1 THR A 138 -0.706 -7.331 11.345 1.00 0.00 O ATOM 2152 CG2 THR A 138 -1.085 -4.989 11.789 1.00 0.00 C ATOM 0 H THR A 138 -2.917 -8.426 10.443 1.00 0.00 H new ATOM 0 HA THR A 138 -3.092 -6.341 12.596 1.00 0.00 H new ATOM 0 HB THR A 138 -1.598 -6.055 9.990 1.00 0.00 H new ATOM 0 HG1 THR A 138 -0.086 -7.075 12.060 1.00 0.00 H new ATOM 0 HG21 THR A 138 -0.081 -4.742 11.445 1.00 0.00 H new ATOM 0 HG22 THR A 138 -1.757 -4.157 11.576 1.00 0.00 H new ATOM 0 HG23 THR A 138 -1.065 -5.173 12.863 1.00 0.00 H new ATOM 2160 N PRO A 139 -4.985 -5.170 11.329 1.00 0.00 N ATOM 2161 CA PRO A 139 -5.999 -4.365 10.580 1.00 0.00 C ATOM 2162 C PRO A 139 -5.355 -3.182 9.852 1.00 0.00 C ATOM 2163 O PRO A 139 -4.489 -2.512 10.379 1.00 0.00 O ATOM 2164 CB PRO A 139 -6.927 -3.826 11.675 1.00 0.00 C ATOM 2165 CG PRO A 139 -6.692 -4.686 12.867 1.00 0.00 C ATOM 2166 CD PRO A 139 -5.243 -5.143 12.780 1.00 0.00 C ATOM 0 HA PRO A 139 -6.504 -4.965 9.823 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -6.705 -2.782 11.896 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -7.970 -3.870 11.360 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -6.871 -4.132 13.788 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -7.370 -5.539 12.871 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -4.572 -4.456 13.296 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -5.103 -6.125 13.232 1.00 0.00 H new ATOM 2174 N HIS A 140 -5.802 -2.895 8.663 1.00 0.00 N ATOM 2175 CA HIS A 140 -5.260 -1.724 7.919 1.00 0.00 C ATOM 2176 C HIS A 140 -6.411 -0.976 7.241 1.00 0.00 C ATOM 2177 O HIS A 140 -7.283 -1.586 6.656 1.00 0.00 O ATOM 2178 CB HIS A 140 -4.258 -2.191 6.874 1.00 0.00 C ATOM 2179 CG HIS A 140 -4.809 -3.379 6.151 1.00 0.00 C ATOM 2180 ND1 HIS A 140 -5.101 -4.573 6.806 1.00 0.00 N ATOM 2181 CD2 HIS A 140 -5.118 -3.584 4.831 1.00 0.00 C ATOM 2182 CE1 HIS A 140 -5.564 -5.435 5.883 1.00 0.00 C ATOM 2183 NE2 HIS A 140 -5.591 -4.875 4.675 1.00 0.00 N ATOM 0 H HIS A 140 -6.523 -3.423 8.171 1.00 0.00 H new ATOM 0 HA HIS A 140 -4.755 -1.055 8.616 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -4.051 -1.386 6.168 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.312 -2.448 7.351 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -4.985 -4.759 7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.010 -2.856 4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -5.873 -6.448 6.094 1.00 0.00 H new ATOM 2191 N TRP A 141 -6.409 0.326 7.275 1.00 0.00 N ATOM 2192 CA TRP A 141 -7.492 1.086 6.583 1.00 0.00 C ATOM 2193 C TRP A 141 -6.832 2.093 5.629 1.00 0.00 C ATOM 2194 O TRP A 141 -5.743 2.571 5.878 1.00 0.00 O ATOM 2195 CB TRP A 141 -8.370 1.819 7.599 1.00 0.00 C ATOM 2196 CG TRP A 141 -7.554 2.851 8.292 1.00 0.00 C ATOM 2197 CD1 TRP A 141 -7.273 4.073 7.800 1.00 0.00 C ATOM 2198 CD2 TRP A 141 -6.911 2.770 9.589 1.00 0.00 C ATOM 2199 NE1 TRP A 141 -6.483 4.749 8.702 1.00 0.00 N ATOM 2200 CE2 TRP A 141 -6.230 3.985 9.830 1.00 0.00 C ATOM 2201 CE3 TRP A 141 -6.850 1.765 10.567 1.00 0.00 C ATOM 2202 CZ2 TRP A 141 -5.508 4.193 11.008 1.00 0.00 C ATOM 2203 CZ3 TRP A 141 -6.132 1.968 11.750 1.00 0.00 C ATOM 2204 CH2 TRP A 141 -5.459 3.178 11.973 1.00 0.00 C ATOM 0 H TRP A 141 -5.709 0.897 7.749 1.00 0.00 H new ATOM 0 HA TRP A 141 -8.130 0.399 6.027 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -9.218 2.285 7.097 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -8.777 1.113 8.323 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -7.613 4.460 6.851 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -6.128 5.694 8.558 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -7.361 0.828 10.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -4.992 5.127 11.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -6.096 1.188 12.496 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -4.904 3.327 12.887 1.00 0.00 H new ATOM 2215 N PHE A 142 -7.469 2.399 4.536 1.00 0.00 N ATOM 2216 CA PHE A 142 -6.875 3.353 3.540 1.00 0.00 C ATOM 2217 C PHE A 142 -7.271 4.786 3.891 1.00 0.00 C ATOM 2218 O PHE A 142 -8.076 5.025 4.757 1.00 0.00 O ATOM 2219 CB PHE A 142 -7.405 3.038 2.135 1.00 0.00 C ATOM 2220 CG PHE A 142 -6.338 2.357 1.302 1.00 0.00 C ATOM 2221 CD1 PHE A 142 -5.982 1.031 1.571 1.00 0.00 C ATOM 2222 CD2 PHE A 142 -5.721 3.043 0.237 1.00 0.00 C ATOM 2223 CE1 PHE A 142 -5.016 0.391 0.788 1.00 0.00 C ATOM 2224 CE2 PHE A 142 -4.753 2.402 -0.535 1.00 0.00 C ATOM 2225 CZ PHE A 142 -4.399 1.080 -0.263 1.00 0.00 C ATOM 0 H PHE A 142 -8.385 2.030 4.281 1.00 0.00 H new ATOM 0 HA PHE A 142 -5.790 3.247 3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.283 2.396 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.723 3.959 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -6.454 0.501 2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -5.998 4.064 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -4.746 -0.634 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.275 2.931 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 142 -3.648 0.588 -0.864 1.00 0.00 H new ATOM 2235 N ASP A 143 -6.691 5.749 3.236 1.00 0.00 N ATOM 2236 CA ASP A 143 -7.042 7.160 3.544 1.00 0.00 C ATOM 2237 C ASP A 143 -7.077 7.945 2.238 1.00 0.00 C ATOM 2238 O ASP A 143 -6.063 8.219 1.627 1.00 0.00 O ATOM 2239 CB ASP A 143 -5.983 7.757 4.475 1.00 0.00 C ATOM 2240 CG ASP A 143 -6.609 8.056 5.838 1.00 0.00 C ATOM 2241 OD1 ASP A 143 -7.738 8.519 5.859 1.00 0.00 O ATOM 2242 OD2 ASP A 143 -5.951 7.817 6.835 1.00 0.00 O ATOM 0 H ASP A 143 -5.992 5.621 2.504 1.00 0.00 H new ATOM 0 HA ASP A 143 -8.014 7.208 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -5.152 7.062 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -5.577 8.671 4.042 1.00 0.00 H new ATOM 2247 N MET A 144 -8.257 8.293 1.804 1.00 0.00 N ATOM 2248 CA MET A 144 -8.405 9.045 0.532 1.00 0.00 C ATOM 2249 C MET A 144 -8.445 10.547 0.810 1.00 0.00 C ATOM 2250 O MET A 144 -7.738 11.325 0.197 1.00 0.00 O ATOM 2251 CB MET A 144 -9.699 8.602 -0.157 1.00 0.00 C ATOM 2252 CG MET A 144 -9.608 7.112 -0.498 1.00 0.00 C ATOM 2253 SD MET A 144 -11.088 6.605 -1.409 1.00 0.00 S ATOM 2254 CE MET A 144 -10.740 4.830 -1.440 1.00 0.00 C ATOM 0 H MET A 144 -9.133 8.085 2.284 1.00 0.00 H new ATOM 0 HA MET A 144 -7.554 8.838 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 144 -10.553 8.786 0.495 1.00 0.00 H new ATOM 0 HB3 MET A 144 -9.859 9.185 -1.064 1.00 0.00 H new ATOM 0 HG2 MET A 144 -8.717 6.919 -1.096 1.00 0.00 H new ATOM 0 HG3 MET A 144 -9.512 6.525 0.415 1.00 0.00 H new ATOM 0 HE1 MET A 144 -11.551 4.309 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 144 -9.804 4.652 -1.970 1.00 0.00 H new ATOM 0 HE3 MET A 144 -10.655 4.458 -0.419 1.00 0.00 H new ATOM 2264 N GLY A 145 -9.277 10.962 1.722 1.00 0.00 N ATOM 2265 CA GLY A 145 -9.383 12.416 2.033 1.00 0.00 C ATOM 2266 C GLY A 145 -10.094 13.112 0.873 1.00 0.00 C ATOM 2267 O GLY A 145 -10.807 14.079 1.049 1.00 0.00 O ATOM 0 H GLY A 145 -9.890 10.357 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -9.936 12.565 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -8.392 12.844 2.181 1.00 0.00 H new ATOM 2271 N SER A 146 -9.875 12.629 -0.315 1.00 0.00 N ATOM 2272 CA SER A 146 -10.490 13.239 -1.522 1.00 0.00 C ATOM 2273 C SER A 146 -10.868 12.124 -2.498 1.00 0.00 C ATOM 2274 O SER A 146 -10.653 10.961 -2.229 1.00 0.00 O ATOM 2275 CB SER A 146 -9.475 14.179 -2.178 1.00 0.00 C ATOM 2276 OG SER A 146 -8.199 13.551 -2.200 1.00 0.00 O ATOM 0 H SER A 146 -9.283 11.820 -0.504 1.00 0.00 H new ATOM 0 HA SER A 146 -11.381 13.804 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 146 -9.791 14.423 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 146 -9.422 15.118 -1.626 1.00 0.00 H new ATOM 0 HG SER A 146 -7.547 14.150 -2.621 1.00 0.00 H new ATOM 2282 N GLU A 147 -11.440 12.465 -3.624 1.00 0.00 N ATOM 2283 CA GLU A 147 -11.832 11.414 -4.608 1.00 0.00 C ATOM 2284 C GLU A 147 -10.908 11.423 -5.854 1.00 0.00 C ATOM 2285 O GLU A 147 -11.392 11.437 -6.968 1.00 0.00 O ATOM 2286 CB GLU A 147 -13.274 11.672 -5.055 1.00 0.00 C ATOM 2287 CG GLU A 147 -13.464 13.167 -5.332 1.00 0.00 C ATOM 2288 CD GLU A 147 -14.882 13.421 -5.850 1.00 0.00 C ATOM 2289 OE1 GLU A 147 -15.819 13.108 -5.135 1.00 0.00 O ATOM 2290 OE2 GLU A 147 -15.007 13.928 -6.953 1.00 0.00 O ATOM 0 H GLU A 147 -11.652 13.423 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.740 10.441 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -13.497 11.094 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -13.970 11.343 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -13.291 13.740 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.733 13.506 -6.065 1.00 0.00 H new ATOM 2297 N PRO A 148 -9.596 11.394 -5.693 1.00 0.00 N ATOM 2298 CA PRO A 148 -8.655 11.370 -6.848 1.00 0.00 C ATOM 2299 C PRO A 148 -8.477 9.968 -7.423 1.00 0.00 C ATOM 2300 O PRO A 148 -8.860 8.980 -6.829 1.00 0.00 O ATOM 2301 CB PRO A 148 -7.340 11.832 -6.241 1.00 0.00 C ATOM 2302 CG PRO A 148 -7.384 11.309 -4.849 1.00 0.00 C ATOM 2303 CD PRO A 148 -8.850 11.396 -4.423 1.00 0.00 C ATOM 0 HA PRO A 148 -9.016 11.988 -7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.486 11.435 -6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -7.253 12.918 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -7.023 10.281 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -6.748 11.899 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -9.133 10.552 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -9.045 12.301 -3.848 1.00 0.00 H new ATOM 2311 N ASN A 149 -7.876 9.883 -8.568 1.00 0.00 N ATOM 2312 CA ASN A 149 -7.637 8.563 -9.192 1.00 0.00 C ATOM 2313 C ASN A 149 -6.318 7.992 -8.648 1.00 0.00 C ATOM 2314 O ASN A 149 -5.285 8.634 -8.691 1.00 0.00 O ATOM 2315 CB ASN A 149 -7.565 8.746 -10.710 1.00 0.00 C ATOM 2316 CG ASN A 149 -6.319 9.554 -11.065 1.00 0.00 C ATOM 2317 OD1 ASN A 149 -5.825 10.316 -10.259 1.00 0.00 O ATOM 2318 ND2 ASN A 149 -5.786 9.419 -12.246 1.00 0.00 N ATOM 0 H ASN A 149 -7.536 10.681 -9.104 1.00 0.00 H new ATOM 0 HA ASN A 149 -8.444 7.869 -8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -7.535 7.775 -11.203 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -8.458 9.258 -11.068 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -4.953 9.954 -12.494 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -6.201 8.779 -12.923 1.00 0.00 H new ATOM 2325 N PHE A 150 -6.351 6.793 -8.123 1.00 0.00 N ATOM 2326 CA PHE A 150 -5.107 6.177 -7.557 1.00 0.00 C ATOM 2327 C PHE A 150 -5.047 4.702 -7.959 1.00 0.00 C ATOM 2328 O PHE A 150 -5.980 3.954 -7.763 1.00 0.00 O ATOM 2329 CB PHE A 150 -5.132 6.295 -6.018 1.00 0.00 C ATOM 2330 CG PHE A 150 -5.782 5.070 -5.400 1.00 0.00 C ATOM 2331 CD1 PHE A 150 -7.128 4.772 -5.666 1.00 0.00 C ATOM 2332 CD2 PHE A 150 -5.036 4.228 -4.559 1.00 0.00 C ATOM 2333 CE1 PHE A 150 -7.721 3.633 -5.099 1.00 0.00 C ATOM 2334 CE2 PHE A 150 -5.634 3.094 -3.996 1.00 0.00 C ATOM 2335 CZ PHE A 150 -6.972 2.796 -4.269 1.00 0.00 C ATOM 0 H PHE A 150 -7.187 6.211 -8.061 1.00 0.00 H new ATOM 0 HA PHE A 150 -4.230 6.695 -7.945 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -4.116 6.404 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -5.679 7.191 -5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -7.708 5.420 -6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 150 -4.002 4.455 -4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 150 -8.756 3.404 -5.305 1.00 0.00 H new ATOM 0 HE2 PHE A 150 -5.060 2.448 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 150 -7.427 1.917 -3.837 1.00 0.00 H new ATOM 2345 N THR A 151 -3.952 4.282 -8.533 1.00 0.00 N ATOM 2346 CA THR A 151 -3.837 2.861 -8.963 1.00 0.00 C ATOM 2347 C THR A 151 -3.075 2.065 -7.911 1.00 0.00 C ATOM 2348 O THR A 151 -2.012 2.455 -7.467 1.00 0.00 O ATOM 2349 CB THR A 151 -3.079 2.795 -10.291 1.00 0.00 C ATOM 2350 OG1 THR A 151 -3.671 3.702 -11.208 1.00 0.00 O ATOM 2351 CG2 THR A 151 -3.146 1.376 -10.867 1.00 0.00 C ATOM 0 H THR A 151 -3.134 4.861 -8.722 1.00 0.00 H new ATOM 0 HA THR A 151 -4.835 2.439 -9.084 1.00 0.00 H new ATOM 0 HB THR A 151 -2.035 3.061 -10.123 1.00 0.00 H new ATOM 0 HG1 THR A 151 -3.487 3.407 -12.124 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.603 1.341 -11.812 1.00 0.00 H new ATOM 0 HG22 THR A 151 -2.695 0.676 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.187 1.101 -11.036 1.00 0.00 H new ATOM 2359 N ALA A 152 -3.605 0.942 -7.522 1.00 0.00 N ATOM 2360 CA ALA A 152 -2.914 0.100 -6.514 1.00 0.00 C ATOM 2361 C ALA A 152 -2.915 -1.351 -6.986 1.00 0.00 C ATOM 2362 O ALA A 152 -3.765 -1.773 -7.733 1.00 0.00 O ATOM 2363 CB ALA A 152 -3.602 0.223 -5.156 1.00 0.00 C ATOM 0 H ALA A 152 -4.492 0.570 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 152 -1.885 0.440 -6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -3.083 -0.400 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -3.576 1.262 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -4.638 -0.105 -5.242 1.00 0.00 H new ATOM 2369 N ILE A 153 -1.960 -2.105 -6.543 1.00 0.00 N ATOM 2370 CA ILE A 153 -1.872 -3.540 -6.943 1.00 0.00 C ATOM 2371 C ILE A 153 -1.971 -4.378 -5.683 1.00 0.00 C ATOM 2372 O ILE A 153 -1.222 -4.172 -4.777 1.00 0.00 O ATOM 2373 CB ILE A 153 -0.514 -3.815 -7.591 1.00 0.00 C ATOM 2374 CG1 ILE A 153 -0.221 -2.785 -8.688 1.00 0.00 C ATOM 2375 CG2 ILE A 153 -0.512 -5.220 -8.195 1.00 0.00 C ATOM 2376 CD1 ILE A 153 -0.732 -3.300 -10.035 1.00 0.00 C ATOM 0 H ILE A 153 -1.223 -1.790 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 153 -2.669 -3.779 -7.648 1.00 0.00 H new ATOM 0 HB ILE A 153 0.260 -3.740 -6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -0.700 -1.836 -8.446 1.00 0.00 H new ATOM 0 HG13 ILE A 153 0.851 -2.595 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 153 0.456 -5.416 -8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -0.695 -5.954 -7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -1.295 -5.293 -8.949 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -0.521 -2.563 -10.810 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -0.232 -4.237 -10.279 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -1.808 -3.467 -9.977 1.00 0.00 H new ATOM 2388 N ARG A 154 -2.875 -5.306 -5.604 1.00 0.00 N ATOM 2389 CA ARG A 154 -2.977 -6.125 -4.357 1.00 0.00 C ATOM 2390 C ARG A 154 -2.697 -7.592 -4.681 1.00 0.00 C ATOM 2391 O ARG A 154 -3.396 -8.210 -5.459 1.00 0.00 O ATOM 2392 CB ARG A 154 -4.384 -5.980 -3.786 1.00 0.00 C ATOM 2393 CG ARG A 154 -5.386 -5.955 -4.944 1.00 0.00 C ATOM 2394 CD ARG A 154 -6.812 -5.850 -4.407 1.00 0.00 C ATOM 2395 NE ARG A 154 -7.126 -7.039 -3.571 1.00 0.00 N ATOM 2396 CZ ARG A 154 -8.242 -7.079 -2.900 1.00 0.00 C ATOM 2397 NH1 ARG A 154 -9.074 -6.077 -2.968 1.00 0.00 N ATOM 2398 NH2 ARG A 154 -8.527 -8.118 -2.164 1.00 0.00 N ATOM 0 H ARG A 154 -3.545 -5.537 -6.337 1.00 0.00 H new ATOM 0 HA ARG A 154 -2.246 -5.780 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -4.605 -6.808 -3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -4.461 -5.064 -3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -5.174 -5.111 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.282 -6.859 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.922 -4.940 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -7.518 -5.780 -5.235 1.00 0.00 H new ATOM 0 HE ARG A 154 -6.471 -7.819 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.850 -5.266 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.949 -6.104 -2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -7.875 -8.901 -2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.401 -8.147 -1.640 1.00 0.00 H new ATOM 2412 N ILE A 155 -1.677 -8.152 -4.083 1.00 0.00 N ATOM 2413 CA ILE A 155 -1.342 -9.579 -4.350 1.00 0.00 C ATOM 2414 C ILE A 155 -1.393 -10.365 -3.044 1.00 0.00 C ATOM 2415 O ILE A 155 -0.907 -9.919 -2.024 1.00 0.00 O ATOM 2416 CB ILE A 155 0.067 -9.679 -4.923 1.00 0.00 C ATOM 2417 CG1 ILE A 155 0.210 -8.719 -6.102 1.00 0.00 C ATOM 2418 CG2 ILE A 155 0.308 -11.110 -5.403 1.00 0.00 C ATOM 2419 CD1 ILE A 155 1.671 -8.688 -6.548 1.00 0.00 C ATOM 0 H ILE A 155 -1.062 -7.680 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 155 -2.061 -9.986 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 155 0.795 -9.417 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -0.428 -9.038 -6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -0.117 -7.720 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 155 1.314 -11.191 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 155 0.203 -11.798 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -0.421 -11.363 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.780 -8.004 -7.390 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.296 -8.349 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.980 -9.688 -6.851 1.00 0.00 H new ATOM 2431 N PHE A 156 -1.964 -11.534 -3.063 1.00 0.00 N ATOM 2432 CA PHE A 156 -2.025 -12.332 -1.810 1.00 0.00 C ATOM 2433 C PHE A 156 -2.477 -13.758 -2.109 1.00 0.00 C ATOM 2434 O PHE A 156 -2.930 -14.064 -3.193 1.00 0.00 O ATOM 2435 CB PHE A 156 -3.006 -11.675 -0.838 1.00 0.00 C ATOM 2436 CG PHE A 156 -4.390 -11.706 -1.438 1.00 0.00 C ATOM 2437 CD1 PHE A 156 -4.767 -10.744 -2.388 1.00 0.00 C ATOM 2438 CD2 PHE A 156 -5.298 -12.697 -1.047 1.00 0.00 C ATOM 2439 CE1 PHE A 156 -6.050 -10.777 -2.943 1.00 0.00 C ATOM 2440 CE2 PHE A 156 -6.582 -12.728 -1.604 1.00 0.00 C ATOM 2441 CZ PHE A 156 -6.959 -11.768 -2.551 1.00 0.00 C ATOM 0 H PHE A 156 -2.387 -11.969 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 156 -1.031 -12.367 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -2.998 -12.201 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -2.706 -10.646 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -4.067 -9.979 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.008 -13.437 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -6.340 -10.038 -3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -7.282 -13.493 -1.303 1.00 0.00 H new ATOM 0 HZ PHE A 156 -7.950 -11.792 -2.979 1.00 0.00 H new TER 2451 PHE A 156 HETATM 2452 FE FE2 A 180 -6.198 -5.816 2.810 1.00 0.00 FE HETATM 2453 O HOH A 181 -6.764 -6.699 1.109 1.00 0.00 O HETATM 2456 O HOH A 182 -6.477 -4.015 1.992 1.00 0.00 O