USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0668 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 0.281! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0071 X(o=-0.0071,f=-0.28) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 60:sc= -0.427 USER MOD Single : A 32 SER OG : rot -73:sc= -0.0957 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= -0.135 (180deg=-0.224) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-8.6!) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -0.0846 (180deg=-0.39) USER MOD Single : A 53 HIS : no HD1:sc= -0.338 X(o=-0.34,f=0.071) USER MOD Single : A 56 ASN : amide:sc= -4.83! C(o=-4.8!,f=-6.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 76:sc= 0.214 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= -3.06! (180deg=-4.8!) USER MOD Single : A 67 GLN : amide:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -120:sc= -3.09! (180deg=-6.5!) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= -2.39 (180deg=-2.66) USER MOD Single : A 74 THR OG1 : rot -22:sc= 0.521 USER MOD Single : A 75 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.9!) USER MOD Single : A 78 SER OG : rot 150:sc= -0.301 USER MOD Single : A 82 TYR OH : rot -176:sc= 0.0669 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0332 USER MOD Single : A 92 MET CE :methyl 166:sc= 0 (180deg=-0.183) USER MOD Single : A 95 GLN : amide:sc= -0.815 K(o=-0.81,f=-3.1!) USER MOD Single : A 96 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.88) USER MOD Single : A 101 ASN : amide:sc= -0.0928 X(o=-0.093,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00307 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.00989 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.262 -5.574 -55.192 1.00 0.00 N ATOM 2 CA GLY A 1 23.650 -5.964 -53.935 1.00 0.00 C ATOM 3 C GLY A 1 22.226 -6.451 -54.111 1.00 0.00 C ATOM 4 O GLY A 1 21.571 -6.132 -55.103 1.00 0.00 O ATOM 0 H1 GLY A 1 25.022 -6.243 -55.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.545 -5.583 -55.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.658 -4.617 -55.103 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.246 -6.751 -53.473 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.659 -5.115 -53.251 1.00 0.00 H new ATOM 8 N SER A 2 21.744 -7.228 -53.145 1.00 0.00 N ATOM 9 CA SER A 2 20.390 -7.765 -53.200 1.00 0.00 C ATOM 10 C SER A 2 19.558 -7.263 -52.023 1.00 0.00 C ATOM 11 O SER A 2 19.970 -7.370 -50.868 1.00 0.00 O ATOM 12 CB SER A 2 20.424 -9.294 -53.200 1.00 0.00 C ATOM 13 OG SER A 2 20.751 -9.797 -51.916 1.00 0.00 O ATOM 0 H SER A 2 22.272 -7.499 -52.315 1.00 0.00 H new ATOM 0 HA SER A 2 19.926 -7.420 -54.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.454 -9.682 -53.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.155 -9.645 -53.928 1.00 0.00 H new ATOM 0 HG SER A 2 20.634 -9.090 -51.248 1.00 0.00 H new ATOM 19 N SER A 3 18.385 -6.716 -52.326 1.00 0.00 N ATOM 20 CA SER A 3 17.497 -6.194 -51.295 1.00 0.00 C ATOM 21 C SER A 3 16.035 -6.408 -51.677 1.00 0.00 C ATOM 22 O SER A 3 15.670 -6.324 -52.849 1.00 0.00 O ATOM 23 CB SER A 3 17.763 -4.705 -51.068 1.00 0.00 C ATOM 24 OG SER A 3 17.527 -3.959 -52.249 1.00 0.00 O ATOM 0 H SER A 3 18.028 -6.623 -53.277 1.00 0.00 H new ATOM 0 HA SER A 3 17.697 -6.737 -50.371 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.122 -4.336 -50.267 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.794 -4.562 -50.744 1.00 0.00 H new ATOM 0 HG SER A 3 17.702 -3.010 -52.077 1.00 0.00 H new ATOM 30 N GLY A 4 15.203 -6.687 -50.679 1.00 0.00 N ATOM 31 CA GLY A 4 13.791 -6.909 -50.930 1.00 0.00 C ATOM 32 C GLY A 4 13.223 -8.035 -50.090 1.00 0.00 C ATOM 33 O GLY A 4 13.370 -9.209 -50.431 1.00 0.00 O ATOM 0 H GLY A 4 15.481 -6.763 -49.701 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.240 -5.992 -50.723 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.644 -7.138 -51.986 1.00 0.00 H new ATOM 37 N SER A 5 12.573 -7.679 -48.986 1.00 0.00 N ATOM 38 CA SER A 5 11.986 -8.670 -48.091 1.00 0.00 C ATOM 39 C SER A 5 10.795 -8.084 -47.340 1.00 0.00 C ATOM 40 O SER A 5 10.669 -6.867 -47.204 1.00 0.00 O ATOM 41 CB SER A 5 13.033 -9.174 -47.097 1.00 0.00 C ATOM 42 OG SER A 5 12.741 -10.495 -46.674 1.00 0.00 O ATOM 0 H SER A 5 12.440 -6.712 -48.690 1.00 0.00 H new ATOM 0 HA SER A 5 11.637 -9.508 -48.695 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.020 -9.147 -47.559 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.067 -8.511 -46.232 1.00 0.00 H new ATOM 0 HG SER A 5 13.426 -10.795 -46.040 1.00 0.00 H new ATOM 48 N SER A 6 9.922 -8.960 -46.853 1.00 0.00 N ATOM 49 CA SER A 6 8.737 -8.531 -46.118 1.00 0.00 C ATOM 50 C SER A 6 8.102 -9.705 -45.379 1.00 0.00 C ATOM 51 O SER A 6 8.042 -10.819 -45.896 1.00 0.00 O ATOM 52 CB SER A 6 7.719 -7.903 -47.071 1.00 0.00 C ATOM 53 OG SER A 6 7.374 -8.800 -48.112 1.00 0.00 O ATOM 0 H SER A 6 10.013 -9.971 -46.954 1.00 0.00 H new ATOM 0 HA SER A 6 9.045 -7.786 -45.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.823 -7.622 -46.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.131 -6.988 -47.497 1.00 0.00 H new ATOM 0 HG SER A 6 6.721 -8.375 -48.707 1.00 0.00 H new ATOM 59 N GLY A 7 7.628 -9.445 -44.164 1.00 0.00 N ATOM 60 CA GLY A 7 7.004 -10.488 -43.372 1.00 0.00 C ATOM 61 C GLY A 7 5.729 -10.020 -42.698 1.00 0.00 C ATOM 62 O GLY A 7 5.186 -8.971 -43.043 1.00 0.00 O ATOM 0 H GLY A 7 7.665 -8.530 -43.714 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.781 -11.342 -44.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.707 -10.833 -42.614 1.00 0.00 H new ATOM 66 N MET A 8 5.249 -10.801 -41.736 1.00 0.00 N ATOM 67 CA MET A 8 4.030 -10.460 -41.012 1.00 0.00 C ATOM 68 C MET A 8 4.353 -9.699 -39.730 1.00 0.00 C ATOM 69 O MET A 8 5.218 -10.108 -38.956 1.00 0.00 O ATOM 70 CB MET A 8 3.237 -11.726 -40.681 1.00 0.00 C ATOM 71 CG MET A 8 1.798 -11.453 -40.273 1.00 0.00 C ATOM 72 SD MET A 8 0.809 -10.781 -41.623 1.00 0.00 S ATOM 73 CE MET A 8 -0.611 -11.871 -41.576 1.00 0.00 C ATOM 0 H MET A 8 5.685 -11.674 -41.440 1.00 0.00 H new ATOM 0 HA MET A 8 3.425 -9.818 -41.652 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.241 -12.385 -41.549 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.740 -12.259 -39.874 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.343 -12.378 -39.920 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.788 -10.753 -39.437 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.317 -11.583 -42.355 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.287 -12.898 -41.742 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.095 -11.796 -40.602 1.00 0.00 H new ATOM 83 N ASP A 9 3.653 -8.591 -39.513 1.00 0.00 N ATOM 84 CA ASP A 9 3.865 -7.773 -38.325 1.00 0.00 C ATOM 85 C ASP A 9 3.319 -8.469 -37.082 1.00 0.00 C ATOM 86 O ASP A 9 2.107 -8.550 -36.886 1.00 0.00 O ATOM 87 CB ASP A 9 3.199 -6.407 -38.494 1.00 0.00 C ATOM 88 CG ASP A 9 1.705 -6.517 -38.730 1.00 0.00 C ATOM 89 OD1 ASP A 9 1.303 -6.753 -39.888 1.00 0.00 O ATOM 90 OD2 ASP A 9 0.938 -6.366 -37.756 1.00 0.00 O ATOM 0 H ASP A 9 2.934 -8.239 -40.145 1.00 0.00 H new ATOM 0 HA ASP A 9 4.938 -7.631 -38.198 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.380 -5.805 -37.604 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.659 -5.883 -39.332 1.00 0.00 H new ATOM 95 N ALA A 10 4.222 -8.971 -36.246 1.00 0.00 N ATOM 96 CA ALA A 10 3.831 -9.659 -35.022 1.00 0.00 C ATOM 97 C ALA A 10 4.305 -8.897 -33.789 1.00 0.00 C ATOM 98 O ALA A 10 4.802 -9.493 -32.833 1.00 0.00 O ATOM 99 CB ALA A 10 4.384 -11.076 -35.014 1.00 0.00 C ATOM 0 H ALA A 10 5.230 -8.914 -36.394 1.00 0.00 H new ATOM 0 HA ALA A 10 2.742 -9.705 -34.992 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.084 -11.578 -34.094 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.992 -11.624 -35.871 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.472 -11.042 -35.071 1.00 0.00 H new ATOM 105 N ILE A 11 4.150 -7.578 -33.818 1.00 0.00 N ATOM 106 CA ILE A 11 4.562 -6.736 -32.702 1.00 0.00 C ATOM 107 C ILE A 11 3.388 -6.437 -31.776 1.00 0.00 C ATOM 108 O ILE A 11 2.300 -6.079 -32.230 1.00 0.00 O ATOM 109 CB ILE A 11 5.165 -5.406 -33.192 1.00 0.00 C ATOM 110 CG1 ILE A 11 6.348 -5.672 -34.126 1.00 0.00 C ATOM 111 CG2 ILE A 11 5.597 -4.553 -32.010 1.00 0.00 C ATOM 112 CD1 ILE A 11 5.955 -5.791 -35.581 1.00 0.00 C ATOM 0 H ILE A 11 3.742 -7.069 -34.602 1.00 0.00 H new ATOM 0 HA ILE A 11 5.323 -7.291 -32.153 1.00 0.00 H new ATOM 0 HB ILE A 11 4.403 -4.861 -33.748 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.073 -4.865 -34.019 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.845 -6.591 -33.816 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.021 -3.617 -32.373 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.733 -4.340 -31.380 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.347 -5.090 -31.429 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.844 -5.979 -36.184 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.253 -6.616 -35.702 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.485 -4.864 -35.908 1.00 0.00 H new ATOM 124 N LEU A 12 3.615 -6.585 -30.475 1.00 0.00 N ATOM 125 CA LEU A 12 2.576 -6.329 -29.483 1.00 0.00 C ATOM 126 C LEU A 12 2.435 -4.834 -29.216 1.00 0.00 C ATOM 127 O LEU A 12 3.311 -4.215 -28.613 1.00 0.00 O ATOM 128 CB LEU A 12 2.896 -7.063 -28.180 1.00 0.00 C ATOM 129 CG LEU A 12 2.973 -8.588 -28.270 1.00 0.00 C ATOM 130 CD1 LEU A 12 3.903 -9.140 -27.201 1.00 0.00 C ATOM 131 CD2 LEU A 12 1.586 -9.200 -28.140 1.00 0.00 C ATOM 0 H LEU A 12 4.509 -6.881 -30.083 1.00 0.00 H new ATOM 0 HA LEU A 12 1.631 -6.700 -29.879 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.849 -6.693 -27.802 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.137 -6.800 -27.443 1.00 0.00 H new ATOM 0 HG LEU A 12 3.377 -8.855 -29.247 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.945 -10.226 -27.281 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.902 -8.727 -27.340 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.529 -8.863 -26.215 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.660 -10.285 -28.206 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.155 -8.924 -27.178 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.948 -8.830 -28.943 1.00 0.00 H new ATOM 143 N ASN A 13 1.324 -4.260 -29.667 1.00 0.00 N ATOM 144 CA ASN A 13 1.067 -2.837 -29.476 1.00 0.00 C ATOM 145 C ASN A 13 0.192 -2.603 -28.248 1.00 0.00 C ATOM 146 O ASN A 13 0.001 -1.466 -27.816 1.00 0.00 O ATOM 147 CB ASN A 13 0.392 -2.248 -30.716 1.00 0.00 C ATOM 148 CG ASN A 13 0.482 -0.735 -30.759 1.00 0.00 C ATOM 149 OD1 ASN A 13 -0.351 -0.035 -30.183 1.00 0.00 O ATOM 150 ND2 ASN A 13 1.497 -0.222 -31.445 1.00 0.00 N ATOM 0 H ASN A 13 0.588 -4.758 -30.167 1.00 0.00 H new ATOM 0 HA ASN A 13 2.024 -2.338 -29.320 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.857 -2.663 -31.611 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.656 -2.548 -30.733 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.609 0.790 -31.510 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.164 -0.840 -31.907 1.00 0.00 H new ATOM 157 N TYR A 14 -0.335 -3.687 -27.689 1.00 0.00 N ATOM 158 CA TYR A 14 -1.191 -3.600 -26.512 1.00 0.00 C ATOM 159 C TYR A 14 -0.415 -3.062 -25.313 1.00 0.00 C ATOM 160 O TYR A 14 0.592 -3.639 -24.902 1.00 0.00 O ATOM 161 CB TYR A 14 -1.778 -4.973 -26.180 1.00 0.00 C ATOM 162 CG TYR A 14 -0.891 -5.810 -25.285 1.00 0.00 C ATOM 163 CD1 TYR A 14 -0.889 -5.626 -23.908 1.00 0.00 C ATOM 164 CD2 TYR A 14 -0.055 -6.784 -25.817 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.080 -6.387 -23.087 1.00 0.00 C ATOM 166 CE2 TYR A 14 0.755 -7.552 -25.003 1.00 0.00 C ATOM 167 CZ TYR A 14 0.740 -7.349 -23.639 1.00 0.00 C ATOM 168 OH TYR A 14 1.547 -8.111 -22.825 1.00 0.00 O ATOM 0 H TYR A 14 -0.184 -4.636 -28.032 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.004 -2.909 -26.735 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.745 -4.838 -25.696 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.959 -5.515 -27.108 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.531 -4.875 -23.472 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.038 -6.943 -26.885 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.089 -6.230 -22.019 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.396 -8.307 -25.432 1.00 0.00 H new ATOM 0 HH TYR A 14 2.060 -8.742 -23.371 1.00 0.00 H new ATOM 178 N ARG A 15 -0.893 -1.954 -24.756 1.00 0.00 N ATOM 179 CA ARG A 15 -0.245 -1.337 -23.605 1.00 0.00 C ATOM 180 C ARG A 15 -1.149 -1.395 -22.377 1.00 0.00 C ATOM 181 O ARG A 15 -2.254 -1.935 -22.432 1.00 0.00 O ATOM 182 CB ARG A 15 0.118 0.116 -23.916 1.00 0.00 C ATOM 183 CG ARG A 15 1.000 0.274 -25.143 1.00 0.00 C ATOM 184 CD ARG A 15 2.473 0.134 -24.792 1.00 0.00 C ATOM 185 NE ARG A 15 2.909 1.153 -23.841 1.00 0.00 N ATOM 186 CZ ARG A 15 3.977 1.022 -23.063 1.00 0.00 C ATOM 187 NH1 ARG A 15 4.716 -0.077 -23.123 1.00 0.00 N ATOM 188 NH2 ARG A 15 4.310 1.994 -22.222 1.00 0.00 N ATOM 0 H ARG A 15 -1.726 -1.465 -25.083 1.00 0.00 H new ATOM 0 HA ARG A 15 0.667 -1.894 -23.390 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.799 0.687 -24.062 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.628 0.547 -23.054 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.729 -0.476 -25.886 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.824 1.250 -25.596 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.653 -0.855 -24.371 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.071 0.207 -25.701 1.00 0.00 H new ATOM 0 HE ARG A 15 2.363 2.012 -23.771 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.465 -0.826 -23.769 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.536 -0.174 -22.524 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.745 2.842 -22.173 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.131 1.893 -21.625 1.00 0.00 H new ATOM 202 N SER A 16 -0.672 -0.836 -21.270 1.00 0.00 N ATOM 203 CA SER A 16 -1.434 -0.828 -20.027 1.00 0.00 C ATOM 204 C SER A 16 -1.489 0.576 -19.432 1.00 0.00 C ATOM 205 O SER A 16 -0.725 1.457 -19.824 1.00 0.00 O ATOM 206 CB SER A 16 -0.816 -1.798 -19.018 1.00 0.00 C ATOM 207 OG SER A 16 0.467 -1.358 -18.609 1.00 0.00 O ATOM 0 H SER A 16 0.239 -0.382 -21.208 1.00 0.00 H new ATOM 0 HA SER A 16 -2.451 -1.149 -20.252 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.468 -1.888 -18.149 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.739 -2.790 -19.463 1.00 0.00 H new ATOM 0 HG SER A 16 0.840 -1.994 -17.963 1.00 0.00 H new ATOM 213 N GLU A 17 -2.399 0.775 -18.484 1.00 0.00 N ATOM 214 CA GLU A 17 -2.554 2.072 -17.835 1.00 0.00 C ATOM 215 C GLU A 17 -2.848 1.905 -16.347 1.00 0.00 C ATOM 216 O GLU A 17 -3.450 0.915 -15.930 1.00 0.00 O ATOM 217 CB GLU A 17 -3.677 2.869 -18.502 1.00 0.00 C ATOM 218 CG GLU A 17 -5.067 2.338 -18.193 1.00 0.00 C ATOM 219 CD GLU A 17 -6.166 3.218 -18.756 1.00 0.00 C ATOM 220 OE1 GLU A 17 -6.324 3.252 -19.994 1.00 0.00 O ATOM 221 OE2 GLU A 17 -6.869 3.873 -17.957 1.00 0.00 O ATOM 0 H GLU A 17 -3.040 0.056 -18.148 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.617 2.618 -17.943 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.614 3.908 -18.180 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.526 2.860 -19.581 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.167 1.332 -18.601 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.189 2.257 -17.113 1.00 0.00 H new ATOM 228 N ASP A 18 -2.419 2.878 -15.552 1.00 0.00 N ATOM 229 CA ASP A 18 -2.636 2.840 -14.111 1.00 0.00 C ATOM 230 C ASP A 18 -3.271 4.139 -13.622 1.00 0.00 C ATOM 231 O ASP A 18 -2.714 5.222 -13.804 1.00 0.00 O ATOM 232 CB ASP A 18 -1.314 2.598 -13.381 1.00 0.00 C ATOM 233 CG ASP A 18 -0.158 3.350 -14.010 1.00 0.00 C ATOM 234 OD1 ASP A 18 0.326 2.912 -15.075 1.00 0.00 O ATOM 235 OD2 ASP A 18 0.261 4.378 -13.439 1.00 0.00 O ATOM 0 H ASP A 18 -1.918 3.704 -15.881 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.318 2.019 -13.893 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.417 2.902 -12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.092 1.531 -13.382 1.00 0.00 H new ATOM 240 N THR A 19 -4.441 4.023 -13.002 1.00 0.00 N ATOM 241 CA THR A 19 -5.153 5.187 -12.489 1.00 0.00 C ATOM 242 C THR A 19 -4.907 5.367 -10.996 1.00 0.00 C ATOM 243 O THR A 19 -5.770 5.863 -10.272 1.00 0.00 O ATOM 244 CB THR A 19 -6.668 5.073 -12.739 1.00 0.00 C ATOM 245 OG1 THR A 19 -6.912 4.372 -13.963 1.00 0.00 O ATOM 246 CG2 THR A 19 -7.311 6.451 -12.801 1.00 0.00 C ATOM 0 H THR A 19 -4.916 3.134 -12.843 1.00 0.00 H new ATOM 0 HA THR A 19 -4.769 6.055 -13.025 1.00 0.00 H new ATOM 0 HB THR A 19 -7.110 4.520 -11.910 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.878 4.303 -14.113 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.381 6.345 -12.978 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.149 6.971 -11.857 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.864 7.025 -13.612 1.00 0.00 H new ATOM 254 N GLU A 20 -3.725 4.962 -10.541 1.00 0.00 N ATOM 255 CA GLU A 20 -3.368 5.080 -9.132 1.00 0.00 C ATOM 256 C GLU A 20 -4.478 4.529 -8.242 1.00 0.00 C ATOM 257 O GLU A 20 -4.716 5.033 -7.144 1.00 0.00 O ATOM 258 CB GLU A 20 -3.091 6.542 -8.774 1.00 0.00 C ATOM 259 CG GLU A 20 -1.791 7.074 -9.354 1.00 0.00 C ATOM 260 CD GLU A 20 -0.602 6.824 -8.446 1.00 0.00 C ATOM 261 OE1 GLU A 20 -0.561 7.415 -7.347 1.00 0.00 O ATOM 262 OE2 GLU A 20 0.287 6.039 -8.835 1.00 0.00 O ATOM 0 H GLU A 20 -2.999 4.550 -11.127 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.465 4.494 -8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.917 7.157 -9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.063 6.643 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.610 6.605 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.888 8.145 -9.533 1.00 0.00 H new ATOM 269 N ASP A 21 -5.153 3.491 -8.722 1.00 0.00 N ATOM 270 CA ASP A 21 -6.237 2.869 -7.971 1.00 0.00 C ATOM 271 C ASP A 21 -5.691 1.874 -6.952 1.00 0.00 C ATOM 272 O ASP A 21 -4.734 1.150 -7.227 1.00 0.00 O ATOM 273 CB ASP A 21 -7.207 2.165 -8.921 1.00 0.00 C ATOM 274 CG ASP A 21 -8.621 2.123 -8.378 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.867 1.363 -7.418 1.00 0.00 O ATOM 276 OD2 ASP A 21 -9.483 2.851 -8.914 1.00 0.00 O ATOM 0 H ASP A 21 -4.968 3.062 -9.629 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.771 3.654 -7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.205 2.678 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.860 1.148 -9.102 1.00 0.00 H new ATOM 281 N TYR A 22 -6.305 1.844 -5.774 1.00 0.00 N ATOM 282 CA TYR A 22 -5.878 0.941 -4.712 1.00 0.00 C ATOM 283 C TYR A 22 -5.867 -0.505 -5.199 1.00 0.00 C ATOM 284 O TYR A 22 -5.111 -1.336 -4.694 1.00 0.00 O ATOM 285 CB TYR A 22 -6.800 1.075 -3.499 1.00 0.00 C ATOM 286 CG TYR A 22 -6.439 2.226 -2.588 1.00 0.00 C ATOM 287 CD1 TYR A 22 -5.883 3.393 -3.097 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.653 2.146 -1.217 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.551 4.447 -2.268 1.00 0.00 C ATOM 290 CE2 TYR A 22 -6.325 3.195 -0.380 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.774 4.343 -0.910 1.00 0.00 C ATOM 292 OH TYR A 22 -5.445 5.391 -0.081 1.00 0.00 O ATOM 0 H TYR A 22 -7.100 2.435 -5.531 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.864 1.216 -4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.825 1.205 -3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.771 0.147 -2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.707 3.478 -4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.083 1.248 -0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.119 5.347 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.499 3.117 0.683 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.666 5.158 0.845 1.00 0.00 H new ATOM 302 N TYR A 23 -6.708 -0.797 -6.184 1.00 0.00 N ATOM 303 CA TYR A 23 -6.798 -2.142 -6.739 1.00 0.00 C ATOM 304 C TYR A 23 -5.623 -2.426 -7.670 1.00 0.00 C ATOM 305 O TYR A 23 -5.170 -3.566 -7.790 1.00 0.00 O ATOM 306 CB TYR A 23 -8.116 -2.318 -7.495 1.00 0.00 C ATOM 307 CG TYR A 23 -9.284 -2.667 -6.602 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.917 -1.692 -5.840 1.00 0.00 C ATOM 309 CD2 TYR A 23 -9.757 -3.971 -6.520 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.985 -2.006 -5.022 1.00 0.00 C ATOM 311 CE2 TYR A 23 -10.825 -4.294 -5.705 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.435 -3.308 -4.958 1.00 0.00 C ATOM 313 OH TYR A 23 -12.499 -3.625 -4.145 1.00 0.00 O ATOM 0 H TYR A 23 -7.338 -0.120 -6.615 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.764 -2.852 -5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.343 -1.397 -8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.994 -3.102 -8.243 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.568 -0.671 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.282 -4.746 -7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.465 -1.236 -4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.180 -5.313 -5.653 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.844 -4.510 -4.387 1.00 0.00 H new ATOM 323 N THR A 24 -5.131 -1.381 -8.328 1.00 0.00 N ATOM 324 CA THR A 24 -4.009 -1.516 -9.249 1.00 0.00 C ATOM 325 C THR A 24 -2.714 -1.803 -8.499 1.00 0.00 C ATOM 326 O THR A 24 -1.928 -2.661 -8.902 1.00 0.00 O ATOM 327 CB THR A 24 -3.826 -0.245 -10.100 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.998 -0.010 -10.888 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.614 -0.375 -11.011 1.00 0.00 C ATOM 0 H THR A 24 -5.492 -0.431 -8.240 1.00 0.00 H new ATOM 0 HA THR A 24 -4.238 -2.355 -9.906 1.00 0.00 H new ATOM 0 HB THR A 24 -3.667 0.597 -9.427 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.874 0.801 -11.425 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.504 0.534 -11.602 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.719 -0.525 -10.407 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.749 -1.227 -11.677 1.00 0.00 H new ATOM 337 N LEU A 25 -2.497 -1.081 -7.405 1.00 0.00 N ATOM 338 CA LEU A 25 -1.295 -1.259 -6.597 1.00 0.00 C ATOM 339 C LEU A 25 -1.069 -2.732 -6.274 1.00 0.00 C ATOM 340 O LEU A 25 0.064 -3.214 -6.286 1.00 0.00 O ATOM 341 CB LEU A 25 -1.404 -0.452 -5.301 1.00 0.00 C ATOM 342 CG LEU A 25 -1.980 0.958 -5.435 1.00 0.00 C ATOM 343 CD1 LEU A 25 -1.945 1.678 -4.096 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.218 1.748 -6.488 1.00 0.00 C ATOM 0 H LEU A 25 -3.137 -0.367 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.443 -0.898 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.024 -1.011 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.411 -0.377 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.019 0.876 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.359 2.680 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.536 1.122 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.915 1.749 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.642 2.749 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.169 1.821 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.296 1.241 -7.450 1.00 0.00 H new ATOM 356 N LEU A 26 -2.154 -3.443 -5.989 1.00 0.00 N ATOM 357 CA LEU A 26 -2.075 -4.864 -5.666 1.00 0.00 C ATOM 358 C LEU A 26 -2.496 -5.718 -6.858 1.00 0.00 C ATOM 359 O LEU A 26 -2.613 -6.938 -6.750 1.00 0.00 O ATOM 360 CB LEU A 26 -2.958 -5.182 -4.459 1.00 0.00 C ATOM 361 CG LEU A 26 -2.718 -4.334 -3.209 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.615 -4.795 -2.071 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.255 -4.397 -2.796 1.00 0.00 C ATOM 0 H LEU A 26 -3.099 -3.059 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.039 -5.099 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.000 -5.068 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.815 -6.230 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.965 -3.298 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.430 -4.180 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.659 -4.698 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.400 -5.838 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.102 -3.788 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.982 -5.430 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.632 -4.018 -3.606 1.00 0.00 H new ATOM 375 N GLY A 27 -2.720 -5.067 -7.996 1.00 0.00 N ATOM 376 CA GLY A 27 -3.124 -5.783 -9.192 1.00 0.00 C ATOM 377 C GLY A 27 -4.227 -6.787 -8.923 1.00 0.00 C ATOM 378 O GLY A 27 -4.213 -7.894 -9.463 1.00 0.00 O ATOM 0 H GLY A 27 -2.629 -4.058 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.463 -5.068 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.261 -6.300 -9.611 1.00 0.00 H new ATOM 382 N CYS A 28 -5.183 -6.403 -8.085 1.00 0.00 N ATOM 383 CA CYS A 28 -6.298 -7.279 -7.743 1.00 0.00 C ATOM 384 C CYS A 28 -7.605 -6.746 -8.320 1.00 0.00 C ATOM 385 O CYS A 28 -7.648 -5.649 -8.876 1.00 0.00 O ATOM 386 CB CYS A 28 -6.416 -7.419 -6.225 1.00 0.00 C ATOM 387 SG CYS A 28 -6.614 -5.849 -5.351 1.00 0.00 S ATOM 0 H CYS A 28 -5.209 -5.491 -7.630 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.104 -8.260 -8.177 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.267 -8.060 -5.995 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.526 -7.923 -5.847 1.00 0.00 H new ATOM 0 HG CYS A 28 -7.696 -5.257 -5.762 1.00 0.00 H new ATOM 393 N ASP A 29 -8.669 -7.530 -8.184 1.00 0.00 N ATOM 394 CA ASP A 29 -9.978 -7.137 -8.692 1.00 0.00 C ATOM 395 C ASP A 29 -11.054 -7.332 -7.628 1.00 0.00 C ATOM 396 O ASP A 29 -10.775 -7.813 -6.531 1.00 0.00 O ATOM 397 CB ASP A 29 -10.327 -7.946 -9.942 1.00 0.00 C ATOM 398 CG ASP A 29 -9.143 -8.111 -10.874 1.00 0.00 C ATOM 399 OD1 ASP A 29 -8.359 -9.063 -10.675 1.00 0.00 O ATOM 400 OD2 ASP A 29 -9.000 -7.289 -11.803 1.00 0.00 O ATOM 0 H ASP A 29 -8.651 -8.441 -7.726 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.937 -6.079 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.691 -8.929 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.140 -7.453 -10.475 1.00 0.00 H new ATOM 405 N GLU A 30 -12.284 -6.954 -7.962 1.00 0.00 N ATOM 406 CA GLU A 30 -13.402 -7.086 -7.034 1.00 0.00 C ATOM 407 C GLU A 30 -13.822 -8.546 -6.892 1.00 0.00 C ATOM 408 O GLU A 30 -14.461 -8.928 -5.911 1.00 0.00 O ATOM 409 CB GLU A 30 -14.589 -6.245 -7.508 1.00 0.00 C ATOM 410 CG GLU A 30 -15.045 -6.577 -8.919 1.00 0.00 C ATOM 411 CD GLU A 30 -14.337 -5.747 -9.972 1.00 0.00 C ATOM 412 OE1 GLU A 30 -14.808 -4.626 -10.257 1.00 0.00 O ATOM 413 OE2 GLU A 30 -13.314 -6.218 -10.510 1.00 0.00 O ATOM 0 H GLU A 30 -12.532 -6.554 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.076 -6.724 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.423 -6.390 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.318 -5.190 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.867 -7.634 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.120 -6.415 -8.997 1.00 0.00 H new ATOM 420 N LEU A 31 -13.460 -9.358 -7.880 1.00 0.00 N ATOM 421 CA LEU A 31 -13.800 -10.777 -7.867 1.00 0.00 C ATOM 422 C LEU A 31 -12.871 -11.550 -6.936 1.00 0.00 C ATOM 423 O LEU A 31 -13.211 -12.637 -6.467 1.00 0.00 O ATOM 424 CB LEU A 31 -13.719 -11.353 -9.281 1.00 0.00 C ATOM 425 CG LEU A 31 -14.876 -11.001 -10.217 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.505 -11.303 -11.661 1.00 0.00 C ATOM 427 CD2 LEU A 31 -16.134 -11.758 -9.818 1.00 0.00 C ATOM 0 H LEU A 31 -12.932 -9.058 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.821 -10.879 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.791 -11.010 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.656 -12.439 -9.206 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.076 -9.933 -10.131 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.340 -11.046 -12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.631 -10.715 -11.943 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.277 -12.364 -11.764 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.947 -11.495 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.947 -12.830 -9.875 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.411 -11.492 -8.798 1.00 0.00 H new ATOM 439 N SER A 32 -11.699 -10.982 -6.671 1.00 0.00 N ATOM 440 CA SER A 32 -10.721 -11.619 -5.797 1.00 0.00 C ATOM 441 C SER A 32 -11.102 -11.436 -4.331 1.00 0.00 C ATOM 442 O SER A 32 -11.911 -10.573 -3.992 1.00 0.00 O ATOM 443 CB SER A 32 -9.327 -11.041 -6.050 1.00 0.00 C ATOM 444 OG SER A 32 -9.093 -9.901 -5.241 1.00 0.00 O ATOM 0 H SER A 32 -11.404 -10.082 -7.049 1.00 0.00 H new ATOM 0 HA SER A 32 -10.710 -12.686 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.572 -11.799 -5.842 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.227 -10.771 -7.101 1.00 0.00 H new ATOM 0 HG SER A 32 -9.609 -9.143 -5.587 1.00 0.00 H new ATOM 450 N SER A 33 -10.512 -12.255 -3.467 1.00 0.00 N ATOM 451 CA SER A 33 -10.791 -12.188 -2.037 1.00 0.00 C ATOM 452 C SER A 33 -9.529 -11.840 -1.253 1.00 0.00 C ATOM 453 O SER A 33 -8.414 -11.968 -1.759 1.00 0.00 O ATOM 454 CB SER A 33 -11.360 -13.519 -1.544 1.00 0.00 C ATOM 455 OG SER A 33 -12.765 -13.573 -1.727 1.00 0.00 O ATOM 0 H SER A 33 -9.838 -12.973 -3.732 1.00 0.00 H new ATOM 0 HA SER A 33 -11.529 -11.402 -1.872 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.888 -14.341 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.122 -13.651 -0.488 1.00 0.00 H new ATOM 0 HG SER A 33 -13.104 -14.435 -1.406 1.00 0.00 H new ATOM 461 N VAL A 34 -9.714 -11.398 -0.013 1.00 0.00 N ATOM 462 CA VAL A 34 -8.592 -11.031 0.843 1.00 0.00 C ATOM 463 C VAL A 34 -7.507 -12.103 0.816 1.00 0.00 C ATOM 464 O VAL A 34 -6.319 -11.795 0.732 1.00 0.00 O ATOM 465 CB VAL A 34 -9.045 -10.811 2.298 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.959 -11.940 2.750 1.00 0.00 C ATOM 467 CG2 VAL A 34 -7.839 -10.691 3.219 1.00 0.00 C ATOM 0 H VAL A 34 -10.630 -11.285 0.421 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.187 -10.098 0.452 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.607 -9.878 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.269 -11.767 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.839 -11.975 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.425 -12.888 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.178 -10.536 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.249 -11.606 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.226 -9.845 2.907 1.00 0.00 H new ATOM 477 N GLU A 35 -7.926 -13.363 0.887 1.00 0.00 N ATOM 478 CA GLU A 35 -6.989 -14.480 0.872 1.00 0.00 C ATOM 479 C GLU A 35 -5.994 -14.339 -0.277 1.00 0.00 C ATOM 480 O GLU A 35 -4.783 -14.428 -0.075 1.00 0.00 O ATOM 481 CB GLU A 35 -7.744 -15.805 0.747 1.00 0.00 C ATOM 482 CG GLU A 35 -8.438 -16.233 2.029 1.00 0.00 C ATOM 483 CD GLU A 35 -9.513 -17.275 1.791 1.00 0.00 C ATOM 484 OE1 GLU A 35 -9.181 -18.479 1.778 1.00 0.00 O ATOM 485 OE2 GLU A 35 -10.688 -16.887 1.618 1.00 0.00 O ATOM 0 H GLU A 35 -8.907 -13.635 0.955 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.437 -14.471 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.486 -15.717 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.045 -16.585 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.698 -16.632 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.883 -15.360 2.506 1.00 0.00 H new ATOM 492 N GLN A 36 -6.515 -14.121 -1.480 1.00 0.00 N ATOM 493 CA GLN A 36 -5.672 -13.970 -2.660 1.00 0.00 C ATOM 494 C GLN A 36 -4.946 -12.629 -2.643 1.00 0.00 C ATOM 495 O GLN A 36 -3.716 -12.578 -2.652 1.00 0.00 O ATOM 496 CB GLN A 36 -6.513 -14.091 -3.932 1.00 0.00 C ATOM 497 CG GLN A 36 -5.731 -13.821 -5.207 1.00 0.00 C ATOM 498 CD GLN A 36 -4.907 -15.014 -5.649 1.00 0.00 C ATOM 499 OE1 GLN A 36 -5.321 -15.782 -6.518 1.00 0.00 O ATOM 500 NE2 GLN A 36 -3.732 -15.177 -5.052 1.00 0.00 N ATOM 0 H GLN A 36 -7.516 -14.045 -1.663 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.927 -14.766 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.938 -15.093 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.348 -13.393 -3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.424 -13.548 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.072 -12.967 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.427 -14.517 -4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.134 -15.962 -5.309 1.00 0.00 H new ATOM 509 N ILE A 37 -5.715 -11.545 -2.617 1.00 0.00 N ATOM 510 CA ILE A 37 -5.145 -10.204 -2.597 1.00 0.00 C ATOM 511 C ILE A 37 -3.906 -10.147 -1.709 1.00 0.00 C ATOM 512 O ILE A 37 -2.883 -9.575 -2.088 1.00 0.00 O ATOM 513 CB ILE A 37 -6.167 -9.165 -2.100 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.403 -9.162 -3.002 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.535 -7.781 -2.054 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.675 -8.775 -2.281 1.00 0.00 C ATOM 0 H ILE A 37 -6.735 -11.570 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.866 -9.964 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.477 -9.436 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.238 -8.470 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.528 -10.154 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.269 -7.057 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.682 -7.793 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.200 -7.500 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.510 -8.794 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.864 -9.481 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.569 -7.771 -1.870 1.00 0.00 H new ATOM 528 N LEU A 38 -4.004 -10.745 -0.527 1.00 0.00 N ATOM 529 CA LEU A 38 -2.891 -10.764 0.416 1.00 0.00 C ATOM 530 C LEU A 38 -1.616 -11.261 -0.258 1.00 0.00 C ATOM 531 O LEU A 38 -0.561 -10.638 -0.149 1.00 0.00 O ATOM 532 CB LEU A 38 -3.227 -11.651 1.615 1.00 0.00 C ATOM 533 CG LEU A 38 -3.955 -10.968 2.773 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.499 -12.001 3.747 1.00 0.00 C ATOM 535 CD2 LEU A 38 -3.026 -9.997 3.487 1.00 0.00 C ATOM 0 H LEU A 38 -4.843 -11.223 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.723 -9.744 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.840 -12.482 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.300 -12.078 1.997 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.795 -10.405 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.014 -11.495 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.198 -12.657 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.676 -12.592 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.560 -9.520 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.166 -10.539 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.686 -9.236 2.785 1.00 0.00 H new ATOM 547 N ALA A 39 -1.722 -12.387 -0.956 1.00 0.00 N ATOM 548 CA ALA A 39 -0.579 -12.966 -1.651 1.00 0.00 C ATOM 549 C ALA A 39 -0.023 -12.000 -2.692 1.00 0.00 C ATOM 550 O ALA A 39 1.174 -11.714 -2.708 1.00 0.00 O ATOM 551 CB ALA A 39 -0.971 -14.282 -2.306 1.00 0.00 C ATOM 0 H ALA A 39 -2.588 -12.916 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 39 0.203 -13.157 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.108 -14.703 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.314 -14.980 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.772 -14.107 -3.024 1.00 0.00 H new ATOM 557 N GLU A 40 -0.899 -11.501 -3.558 1.00 0.00 N ATOM 558 CA GLU A 40 -0.493 -10.568 -4.603 1.00 0.00 C ATOM 559 C GLU A 40 0.313 -9.413 -4.017 1.00 0.00 C ATOM 560 O GLU A 40 1.265 -8.930 -4.632 1.00 0.00 O ATOM 561 CB GLU A 40 -1.720 -10.027 -5.339 1.00 0.00 C ATOM 562 CG GLU A 40 -2.328 -11.016 -6.319 1.00 0.00 C ATOM 563 CD GLU A 40 -1.623 -11.015 -7.662 1.00 0.00 C ATOM 564 OE1 GLU A 40 -0.395 -11.240 -7.687 1.00 0.00 O ATOM 565 OE2 GLU A 40 -2.299 -10.789 -8.687 1.00 0.00 O ATOM 0 H GLU A 40 -1.894 -11.727 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 40 0.138 -11.106 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.476 -9.743 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.440 -9.121 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.286 -12.018 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.381 -10.776 -6.465 1.00 0.00 H new ATOM 572 N PHE A 41 -0.075 -8.973 -2.824 1.00 0.00 N ATOM 573 CA PHE A 41 0.610 -7.873 -2.155 1.00 0.00 C ATOM 574 C PHE A 41 2.041 -8.262 -1.794 1.00 0.00 C ATOM 575 O PHE A 41 2.995 -7.575 -2.160 1.00 0.00 O ATOM 576 CB PHE A 41 -0.152 -7.462 -0.894 1.00 0.00 C ATOM 577 CG PHE A 41 0.713 -6.800 0.141 1.00 0.00 C ATOM 578 CD1 PHE A 41 1.040 -5.458 0.034 1.00 0.00 C ATOM 579 CD2 PHE A 41 1.199 -7.521 1.219 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.836 -4.847 0.984 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.995 -6.915 2.173 1.00 0.00 C ATOM 582 CZ PHE A 41 2.315 -5.576 2.055 1.00 0.00 C ATOM 0 H PHE A 41 -0.860 -9.361 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 41 0.645 -7.028 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.957 -6.782 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.617 -8.345 -0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.669 -4.883 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.953 -8.568 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.083 -3.800 0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.366 -7.488 3.010 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.938 -5.101 2.798 1.00 0.00 H new ATOM 592 N LYS A 42 2.182 -9.369 -1.073 1.00 0.00 N ATOM 593 CA LYS A 42 3.495 -9.852 -0.662 1.00 0.00 C ATOM 594 C LYS A 42 4.449 -9.913 -1.850 1.00 0.00 C ATOM 595 O LYS A 42 5.537 -9.337 -1.816 1.00 0.00 O ATOM 596 CB LYS A 42 3.373 -11.237 -0.020 1.00 0.00 C ATOM 597 CG LYS A 42 2.661 -11.225 1.321 1.00 0.00 C ATOM 598 CD LYS A 42 2.212 -12.619 1.726 1.00 0.00 C ATOM 599 CE LYS A 42 1.524 -12.611 3.083 1.00 0.00 C ATOM 600 NZ LYS A 42 0.110 -12.155 2.984 1.00 0.00 N ATOM 0 H LYS A 42 1.403 -9.949 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 42 3.899 -9.153 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.836 -11.898 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.370 -11.656 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.326 -10.820 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.796 -10.564 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.530 -13.016 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.074 -13.285 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.554 -13.613 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.070 -11.957 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.171 -11.700 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.019 -11.474 2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.507 -12.973 2.803 1.00 0.00 H new ATOM 614 N VAL A 43 4.034 -10.613 -2.901 1.00 0.00 N ATOM 615 CA VAL A 43 4.852 -10.747 -4.101 1.00 0.00 C ATOM 616 C VAL A 43 5.102 -9.390 -4.749 1.00 0.00 C ATOM 617 O VAL A 43 6.241 -9.038 -5.057 1.00 0.00 O ATOM 618 CB VAL A 43 4.188 -11.680 -5.131 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.131 -13.105 -4.602 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.796 -11.178 -5.486 1.00 0.00 C ATOM 0 H VAL A 43 3.137 -11.096 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 43 5.803 -11.179 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 43 4.792 -11.679 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.659 -13.750 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.142 -13.460 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.551 -13.128 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.342 -11.849 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.180 -11.148 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.868 -10.177 -5.910 1.00 0.00 H new ATOM 630 N ARG A 44 4.031 -8.630 -4.953 1.00 0.00 N ATOM 631 CA ARG A 44 4.134 -7.311 -5.565 1.00 0.00 C ATOM 632 C ARG A 44 5.097 -6.423 -4.783 1.00 0.00 C ATOM 633 O ARG A 44 5.788 -5.583 -5.358 1.00 0.00 O ATOM 634 CB ARG A 44 2.757 -6.649 -5.637 1.00 0.00 C ATOM 635 CG ARG A 44 1.949 -7.056 -6.858 1.00 0.00 C ATOM 636 CD ARG A 44 0.620 -6.319 -6.918 1.00 0.00 C ATOM 637 NE ARG A 44 0.138 -6.170 -8.288 1.00 0.00 N ATOM 638 CZ ARG A 44 0.677 -5.335 -9.170 1.00 0.00 C ATOM 639 NH1 ARG A 44 1.710 -4.579 -8.826 1.00 0.00 N ATOM 640 NH2 ARG A 44 0.182 -5.255 -10.399 1.00 0.00 N ATOM 0 H ARG A 44 3.081 -8.906 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 44 4.522 -7.437 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.194 -6.902 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.883 -5.566 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.523 -6.848 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.769 -8.131 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.121 -6.860 -6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.731 -5.334 -6.464 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.656 -6.738 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.093 -4.637 -7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.122 -3.939 -9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.613 -5.835 -10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.597 -4.614 -11.075 1.00 0.00 H new ATOM 654 N ALA A 45 5.136 -6.615 -3.468 1.00 0.00 N ATOM 655 CA ALA A 45 6.014 -5.833 -2.607 1.00 0.00 C ATOM 656 C ALA A 45 7.434 -6.390 -2.620 1.00 0.00 C ATOM 657 O ALA A 45 8.407 -5.640 -2.538 1.00 0.00 O ATOM 658 CB ALA A 45 5.470 -5.802 -1.187 1.00 0.00 C ATOM 0 H ALA A 45 4.569 -7.306 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 45 6.048 -4.814 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.136 -5.214 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.478 -5.351 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.406 -6.819 -0.800 1.00 0.00 H new ATOM 664 N LEU A 46 7.545 -7.710 -2.723 1.00 0.00 N ATOM 665 CA LEU A 46 8.847 -8.368 -2.746 1.00 0.00 C ATOM 666 C LEU A 46 9.658 -7.929 -3.961 1.00 0.00 C ATOM 667 O LEU A 46 10.826 -7.563 -3.838 1.00 0.00 O ATOM 668 CB LEU A 46 8.672 -9.888 -2.757 1.00 0.00 C ATOM 669 CG LEU A 46 8.535 -10.558 -1.390 1.00 0.00 C ATOM 670 CD1 LEU A 46 8.027 -11.984 -1.543 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.865 -10.541 -0.652 1.00 0.00 C ATOM 0 H LEU A 46 6.750 -8.345 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 46 9.389 -8.077 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.787 -10.127 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.526 -10.328 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 46 7.809 -9.996 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.936 -12.445 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.052 -11.973 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.729 -12.557 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.748 -11.022 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.612 -11.079 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.189 -9.510 -0.510 1.00 0.00 H new ATOM 683 N GLU A 47 9.029 -7.968 -5.131 1.00 0.00 N ATOM 684 CA GLU A 47 9.693 -7.572 -6.368 1.00 0.00 C ATOM 685 C GLU A 47 10.095 -6.101 -6.323 1.00 0.00 C ATOM 686 O GLU A 47 10.874 -5.633 -7.154 1.00 0.00 O ATOM 687 CB GLU A 47 8.779 -7.826 -7.568 1.00 0.00 C ATOM 688 CG GLU A 47 8.241 -9.246 -7.634 1.00 0.00 C ATOM 689 CD GLU A 47 9.171 -10.188 -8.373 1.00 0.00 C ATOM 690 OE1 GLU A 47 10.251 -10.503 -7.831 1.00 0.00 O ATOM 691 OE2 GLU A 47 8.818 -10.610 -9.494 1.00 0.00 O ATOM 0 H GLU A 47 8.062 -8.269 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 47 10.595 -8.174 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.941 -7.130 -7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.329 -7.612 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.082 -9.618 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.269 -9.240 -8.127 1.00 0.00 H new ATOM 698 N CYS A 48 9.558 -5.377 -5.347 1.00 0.00 N ATOM 699 CA CYS A 48 9.859 -3.958 -5.194 1.00 0.00 C ATOM 700 C CYS A 48 10.150 -3.618 -3.736 1.00 0.00 C ATOM 701 O CYS A 48 9.743 -2.568 -3.238 1.00 0.00 O ATOM 702 CB CYS A 48 8.693 -3.110 -5.704 1.00 0.00 C ATOM 703 SG CYS A 48 8.670 -2.891 -7.499 1.00 0.00 S ATOM 0 H CYS A 48 8.912 -5.749 -4.650 1.00 0.00 H new ATOM 0 HA CYS A 48 10.747 -3.735 -5.785 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.757 -3.574 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.736 -2.130 -5.230 1.00 0.00 H new ATOM 0 HG CYS A 48 7.647 -2.162 -7.834 1.00 0.00 H new ATOM 709 N HIS A 49 10.857 -4.515 -3.054 1.00 0.00 N ATOM 710 CA HIS A 49 11.202 -4.311 -1.652 1.00 0.00 C ATOM 711 C HIS A 49 12.425 -3.407 -1.519 1.00 0.00 C ATOM 712 O HIS A 49 13.417 -3.556 -2.233 1.00 0.00 O ATOM 713 CB HIS A 49 11.469 -5.653 -0.970 1.00 0.00 C ATOM 714 CG HIS A 49 11.230 -5.632 0.508 1.00 0.00 C ATOM 715 ND1 HIS A 49 12.071 -4.997 1.398 1.00 0.00 N ATOM 716 CD2 HIS A 49 10.235 -6.171 1.251 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.605 -5.148 2.625 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.491 -5.856 2.563 1.00 0.00 N ATOM 0 H HIS A 49 11.202 -5.389 -3.450 1.00 0.00 H new ATOM 0 HA HIS A 49 10.358 -3.825 -1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.832 -6.414 -1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.501 -5.948 -1.159 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.396 -6.742 0.881 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.057 -4.759 3.525 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.915 -6.125 3.360 1.00 0.00 H new ATOM 726 N PRO A 50 12.353 -2.447 -0.585 1.00 0.00 N ATOM 727 CA PRO A 50 13.445 -1.500 -0.338 1.00 0.00 C ATOM 728 C PRO A 50 14.657 -2.168 0.302 1.00 0.00 C ATOM 729 O PRO A 50 15.783 -2.017 -0.171 1.00 0.00 O ATOM 730 CB PRO A 50 12.823 -0.486 0.625 1.00 0.00 C ATOM 731 CG PRO A 50 11.733 -1.234 1.312 1.00 0.00 C ATOM 732 CD PRO A 50 11.201 -2.212 0.301 1.00 0.00 C ATOM 0 HA PRO A 50 13.819 -1.058 -1.262 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.559 -0.115 1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.433 0.380 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.110 -1.751 2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.949 -0.557 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.863 -3.134 0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.351 -1.803 -0.245 1.00 0.00 H new ATOM 740 N ASP A 51 14.419 -2.908 1.380 1.00 0.00 N ATOM 741 CA ASP A 51 15.492 -3.601 2.084 1.00 0.00 C ATOM 742 C ASP A 51 16.447 -4.266 1.098 1.00 0.00 C ATOM 743 O ASP A 51 17.665 -4.227 1.275 1.00 0.00 O ATOM 744 CB ASP A 51 14.913 -4.647 3.037 1.00 0.00 C ATOM 745 CG ASP A 51 14.525 -4.057 4.378 1.00 0.00 C ATOM 746 OD1 ASP A 51 13.545 -3.284 4.426 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.201 -4.368 5.381 1.00 0.00 O ATOM 0 H ASP A 51 13.493 -3.043 1.785 1.00 0.00 H new ATOM 0 HA ASP A 51 16.050 -2.864 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.037 -5.107 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.645 -5.439 3.190 1.00 0.00 H new ATOM 752 N LYS A 52 15.887 -4.878 0.060 1.00 0.00 N ATOM 753 CA LYS A 52 16.688 -5.552 -0.955 1.00 0.00 C ATOM 754 C LYS A 52 17.396 -4.540 -1.850 1.00 0.00 C ATOM 755 O LYS A 52 18.541 -4.747 -2.253 1.00 0.00 O ATOM 756 CB LYS A 52 15.806 -6.470 -1.804 1.00 0.00 C ATOM 757 CG LYS A 52 15.538 -7.820 -1.161 1.00 0.00 C ATOM 758 CD LYS A 52 16.678 -8.793 -1.411 1.00 0.00 C ATOM 759 CE LYS A 52 16.634 -9.964 -0.443 1.00 0.00 C ATOM 760 NZ LYS A 52 16.908 -9.537 0.957 1.00 0.00 N ATOM 0 H LYS A 52 14.881 -4.921 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 52 17.443 -6.152 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.855 -5.972 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.283 -6.626 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.397 -7.691 -0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.611 -8.235 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.623 -9.164 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.630 -8.272 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.654 -10.439 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.367 -10.712 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.219 -10.357 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.655 -8.813 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.042 -9.142 1.375 1.00 0.00 H new ATOM 774 N HIS A 53 16.708 -3.445 -2.157 1.00 0.00 N ATOM 775 CA HIS A 53 17.273 -2.399 -3.003 1.00 0.00 C ATOM 776 C HIS A 53 17.533 -1.130 -2.198 1.00 0.00 C ATOM 777 O HIS A 53 16.733 -0.194 -2.195 1.00 0.00 O ATOM 778 CB HIS A 53 16.332 -2.094 -4.169 1.00 0.00 C ATOM 779 CG HIS A 53 16.014 -3.291 -5.011 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.752 -3.650 -6.120 1.00 0.00 N ATOM 781 CD2 HIS A 53 15.031 -4.215 -4.901 1.00 0.00 C ATOM 782 CE1 HIS A 53 16.236 -4.741 -6.655 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.191 -5.105 -5.934 1.00 0.00 N ATOM 0 H HIS A 53 15.759 -3.259 -1.833 1.00 0.00 H new ATOM 0 HA HIS A 53 18.224 -2.758 -3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.404 -1.679 -3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.783 -1.327 -4.798 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.264 -4.246 -4.142 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.606 -5.250 -7.533 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.599 -5.916 -6.115 1.00 0.00 H new ATOM 791 N PRO A 54 18.677 -1.096 -1.499 1.00 0.00 N ATOM 792 CA PRO A 54 19.068 0.053 -0.677 1.00 0.00 C ATOM 793 C PRO A 54 19.432 1.271 -1.519 1.00 0.00 C ATOM 794 O PRO A 54 19.839 1.140 -2.672 1.00 0.00 O ATOM 795 CB PRO A 54 20.294 -0.457 0.085 1.00 0.00 C ATOM 796 CG PRO A 54 20.855 -1.534 -0.778 1.00 0.00 C ATOM 797 CD PRO A 54 19.676 -2.176 -1.457 1.00 0.00 C ATOM 0 HA PRO A 54 18.256 0.387 -0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 54 21.020 0.340 0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 54 20.018 -0.840 1.068 1.00 0.00 H new ATOM 0 HG2 PRO A 54 21.552 -1.125 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 54 21.408 -2.262 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.930 -2.527 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.312 -3.039 -0.899 1.00 0.00 H new ATOM 805 N GLU A 55 19.283 2.456 -0.933 1.00 0.00 N ATOM 806 CA GLU A 55 19.597 3.697 -1.632 1.00 0.00 C ATOM 807 C GLU A 55 18.588 3.964 -2.745 1.00 0.00 C ATOM 808 O GLU A 55 18.889 4.657 -3.716 1.00 0.00 O ATOM 809 CB GLU A 55 21.011 3.637 -2.214 1.00 0.00 C ATOM 810 CG GLU A 55 21.580 5.000 -2.570 1.00 0.00 C ATOM 811 CD GLU A 55 21.706 5.913 -1.366 1.00 0.00 C ATOM 812 OE1 GLU A 55 22.644 5.714 -0.566 1.00 0.00 O ATOM 813 OE2 GLU A 55 20.867 6.827 -1.225 1.00 0.00 O ATOM 0 H GLU A 55 18.948 2.582 0.022 1.00 0.00 H new ATOM 0 HA GLU A 55 19.543 4.514 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.671 3.154 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.001 3.012 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.561 4.872 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.940 5.473 -3.315 1.00 0.00 H new ATOM 820 N ASN A 56 17.389 3.410 -2.595 1.00 0.00 N ATOM 821 CA ASN A 56 16.335 3.588 -3.587 1.00 0.00 C ATOM 822 C ASN A 56 15.005 3.917 -2.916 1.00 0.00 C ATOM 823 O ASN A 56 14.309 3.042 -2.399 1.00 0.00 O ATOM 824 CB ASN A 56 16.191 2.325 -4.440 1.00 0.00 C ATOM 825 CG ASN A 56 14.943 2.349 -5.301 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.561 3.393 -5.831 1.00 0.00 O ATOM 827 ND2 ASN A 56 14.302 1.196 -5.446 1.00 0.00 N ATOM 0 H ASN A 56 17.123 2.834 -1.796 1.00 0.00 H new ATOM 0 HA ASN A 56 16.613 4.423 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 56 17.068 2.219 -5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.163 1.451 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.457 1.150 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.655 0.355 -4.988 1.00 0.00 H new ATOM 834 N PRO A 57 14.642 5.208 -2.922 1.00 0.00 N ATOM 835 CA PRO A 57 13.393 5.682 -2.319 1.00 0.00 C ATOM 836 C PRO A 57 12.164 5.231 -3.101 1.00 0.00 C ATOM 837 O PRO A 57 11.153 4.841 -2.517 1.00 0.00 O ATOM 838 CB PRO A 57 13.531 7.206 -2.371 1.00 0.00 C ATOM 839 CG PRO A 57 14.466 7.464 -3.501 1.00 0.00 C ATOM 840 CD PRO A 57 15.423 6.304 -3.520 1.00 0.00 C ATOM 0 HA PRO A 57 13.250 5.287 -1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.566 7.685 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.924 7.600 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.926 7.540 -4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.997 8.406 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.742 6.063 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.324 6.517 -2.944 1.00 0.00 H new ATOM 848 N LYS A 58 12.258 5.288 -4.425 1.00 0.00 N ATOM 849 CA LYS A 58 11.155 4.883 -5.289 1.00 0.00 C ATOM 850 C LYS A 58 10.538 3.574 -4.807 1.00 0.00 C ATOM 851 O LYS A 58 9.318 3.451 -4.707 1.00 0.00 O ATOM 852 CB LYS A 58 11.639 4.731 -6.732 1.00 0.00 C ATOM 853 CG LYS A 58 11.642 6.033 -7.514 1.00 0.00 C ATOM 854 CD LYS A 58 12.961 6.773 -7.360 1.00 0.00 C ATOM 855 CE LYS A 58 13.010 8.013 -8.239 1.00 0.00 C ATOM 856 NZ LYS A 58 12.335 9.175 -7.597 1.00 0.00 N ATOM 0 H LYS A 58 13.087 5.611 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 58 10.391 5.660 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.648 4.318 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.003 4.010 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.461 5.825 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.825 6.667 -7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.099 7.059 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.785 6.108 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.049 8.268 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.533 7.799 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.390 10.000 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.337 8.942 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.806 9.396 -6.696 1.00 0.00 H new ATOM 870 N ALA A 59 11.390 2.599 -4.509 1.00 0.00 N ATOM 871 CA ALA A 59 10.929 1.300 -4.034 1.00 0.00 C ATOM 872 C ALA A 59 10.059 1.447 -2.790 1.00 0.00 C ATOM 873 O ALA A 59 8.939 0.939 -2.740 1.00 0.00 O ATOM 874 CB ALA A 59 12.115 0.391 -3.746 1.00 0.00 C ATOM 0 H ALA A 59 12.403 2.684 -4.588 1.00 0.00 H new ATOM 0 HA ALA A 59 10.322 0.849 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.755 -0.575 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.696 0.250 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.745 0.846 -2.981 1.00 0.00 H new ATOM 880 N VAL A 60 10.582 2.146 -1.787 1.00 0.00 N ATOM 881 CA VAL A 60 9.852 2.360 -0.543 1.00 0.00 C ATOM 882 C VAL A 60 8.460 2.919 -0.812 1.00 0.00 C ATOM 883 O VAL A 60 7.457 2.336 -0.403 1.00 0.00 O ATOM 884 CB VAL A 60 10.609 3.322 0.392 1.00 0.00 C ATOM 885 CG1 VAL A 60 9.738 3.708 1.578 1.00 0.00 C ATOM 886 CG2 VAL A 60 11.914 2.695 0.859 1.00 0.00 C ATOM 0 H VAL A 60 11.508 2.573 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 60 9.762 1.389 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 60 10.848 4.229 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.289 4.388 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.834 4.201 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.466 2.812 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.435 3.389 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.702 1.772 1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.541 2.475 -0.005 1.00 0.00 H new ATOM 896 N GLU A 61 8.407 4.054 -1.503 1.00 0.00 N ATOM 897 CA GLU A 61 7.136 4.692 -1.826 1.00 0.00 C ATOM 898 C GLU A 61 6.131 3.669 -2.348 1.00 0.00 C ATOM 899 O GLU A 61 5.020 3.553 -1.829 1.00 0.00 O ATOM 900 CB GLU A 61 7.344 5.795 -2.866 1.00 0.00 C ATOM 901 CG GLU A 61 6.360 6.945 -2.739 1.00 0.00 C ATOM 902 CD GLU A 61 6.863 8.045 -1.825 1.00 0.00 C ATOM 903 OE1 GLU A 61 7.061 7.774 -0.622 1.00 0.00 O ATOM 904 OE2 GLU A 61 7.059 9.178 -2.313 1.00 0.00 O ATOM 0 H GLU A 61 9.228 4.550 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 61 6.738 5.134 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.358 6.184 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.258 5.363 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.163 7.361 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.412 6.566 -2.358 1.00 0.00 H new ATOM 911 N THR A 62 6.529 2.929 -3.378 1.00 0.00 N ATOM 912 CA THR A 62 5.663 1.918 -3.971 1.00 0.00 C ATOM 913 C THR A 62 5.152 0.944 -2.916 1.00 0.00 C ATOM 914 O THR A 62 4.018 0.471 -2.991 1.00 0.00 O ATOM 915 CB THR A 62 6.396 1.127 -5.071 1.00 0.00 C ATOM 916 OG1 THR A 62 6.902 2.024 -6.066 1.00 0.00 O ATOM 917 CG2 THR A 62 5.465 0.115 -5.722 1.00 0.00 C ATOM 0 H THR A 62 7.445 3.011 -3.819 1.00 0.00 H new ATOM 0 HA THR A 62 4.818 2.446 -4.414 1.00 0.00 H new ATOM 0 HB THR A 62 7.225 0.591 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.699 2.478 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.005 -0.431 -6.495 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.104 -0.585 -4.968 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.618 0.635 -6.169 1.00 0.00 H new ATOM 925 N PHE A 63 5.995 0.648 -1.932 1.00 0.00 N ATOM 926 CA PHE A 63 5.628 -0.271 -0.861 1.00 0.00 C ATOM 927 C PHE A 63 4.638 0.382 0.099 1.00 0.00 C ATOM 928 O PHE A 63 3.587 -0.184 0.401 1.00 0.00 O ATOM 929 CB PHE A 63 6.875 -0.721 -0.097 1.00 0.00 C ATOM 930 CG PHE A 63 6.756 -2.100 0.485 1.00 0.00 C ATOM 931 CD1 PHE A 63 5.760 -2.396 1.403 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.639 -3.102 0.115 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.649 -3.664 1.941 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.532 -4.372 0.649 1.00 0.00 C ATOM 935 CZ PHE A 63 6.535 -4.654 1.562 1.00 0.00 C ATOM 0 H PHE A 63 6.937 1.031 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 63 5.152 -1.142 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.733 -0.692 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.075 -0.012 0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.063 -1.627 1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.420 -2.888 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.870 -3.881 2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.227 -5.143 0.353 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.448 -5.646 1.979 1.00 0.00 H new ATOM 945 N GLN A 64 4.981 1.574 0.575 1.00 0.00 N ATOM 946 CA GLN A 64 4.123 2.303 1.501 1.00 0.00 C ATOM 947 C GLN A 64 2.661 2.207 1.079 1.00 0.00 C ATOM 948 O GLN A 64 1.763 2.152 1.920 1.00 0.00 O ATOM 949 CB GLN A 64 4.549 3.770 1.578 1.00 0.00 C ATOM 950 CG GLN A 64 5.854 3.987 2.326 1.00 0.00 C ATOM 951 CD GLN A 64 6.058 5.431 2.738 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.773 6.353 1.974 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.554 5.636 3.953 1.00 0.00 N ATOM 0 H GLN A 64 5.847 2.056 0.335 1.00 0.00 H new ATOM 0 HA GLN A 64 4.228 1.850 2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.650 4.164 0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.761 4.343 2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.869 3.355 3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.686 3.672 1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.776 4.842 4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.713 6.587 4.285 1.00 0.00 H new ATOM 962 N LYS A 65 2.428 2.188 -0.229 1.00 0.00 N ATOM 963 CA LYS A 65 1.075 2.098 -0.764 1.00 0.00 C ATOM 964 C LYS A 65 0.596 0.650 -0.793 1.00 0.00 C ATOM 965 O LYS A 65 -0.559 0.360 -0.477 1.00 0.00 O ATOM 966 CB LYS A 65 1.021 2.692 -2.173 1.00 0.00 C ATOM 967 CG LYS A 65 2.100 3.728 -2.438 1.00 0.00 C ATOM 968 CD LYS A 65 1.718 4.650 -3.584 1.00 0.00 C ATOM 969 CE LYS A 65 2.165 4.088 -4.925 1.00 0.00 C ATOM 970 NZ LYS A 65 1.586 2.741 -5.182 1.00 0.00 N ATOM 0 H LYS A 65 3.159 2.234 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 65 0.414 2.668 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.115 1.887 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.044 3.149 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.269 4.317 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.039 3.226 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.638 4.795 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.170 5.630 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.867 4.769 -5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.253 4.026 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.559 2.564 -6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.173 2.017 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.620 2.699 -4.798 1.00 0.00 H new ATOM 984 N LEU A 66 1.491 -0.256 -1.172 1.00 0.00 N ATOM 985 CA LEU A 66 1.160 -1.676 -1.241 1.00 0.00 C ATOM 986 C LEU A 66 0.584 -2.165 0.084 1.00 0.00 C ATOM 987 O LEU A 66 -0.402 -2.901 0.108 1.00 0.00 O ATOM 988 CB LEU A 66 2.402 -2.492 -1.602 1.00 0.00 C ATOM 989 CG LEU A 66 2.734 -2.586 -3.092 1.00 0.00 C ATOM 990 CD1 LEU A 66 4.132 -3.148 -3.293 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.704 -3.441 -3.815 1.00 0.00 C ATOM 0 H LEU A 66 2.451 -0.033 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 66 0.406 -1.811 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.259 -2.059 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.273 -3.503 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 66 2.704 -1.582 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.350 -3.208 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.859 -2.496 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.190 -4.144 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.956 -3.497 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.701 -4.444 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.716 -2.995 -3.700 1.00 0.00 H new ATOM 1003 N GLN A 67 1.205 -1.749 1.183 1.00 0.00 N ATOM 1004 CA GLN A 67 0.752 -2.144 2.512 1.00 0.00 C ATOM 1005 C GLN A 67 -0.522 -1.399 2.897 1.00 0.00 C ATOM 1006 O GLN A 67 -1.221 -1.786 3.834 1.00 0.00 O ATOM 1007 CB GLN A 67 1.846 -1.877 3.547 1.00 0.00 C ATOM 1008 CG GLN A 67 2.007 -0.407 3.897 1.00 0.00 C ATOM 1009 CD GLN A 67 2.850 -0.191 5.138 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.400 -0.432 6.258 1.00 0.00 O ATOM 1011 NE2 GLN A 67 4.082 0.266 4.944 1.00 0.00 N ATOM 0 H GLN A 67 2.023 -1.139 1.180 1.00 0.00 H new ATOM 0 HA GLN A 67 0.534 -3.212 2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.619 -2.435 4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.794 -2.257 3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.465 0.115 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.023 0.036 4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.414 0.452 3.998 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.696 0.431 5.741 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.818 -0.328 2.168 1.00 0.00 N ATOM 1021 CA LYS A 68 -2.008 0.472 2.432 1.00 0.00 C ATOM 1022 C LYS A 68 -3.239 -0.153 1.782 1.00 0.00 C ATOM 1023 O LYS A 68 -4.132 -0.646 2.470 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.814 1.899 1.914 1.00 0.00 C ATOM 1025 CG LYS A 68 -1.228 2.846 2.946 1.00 0.00 C ATOM 1026 CD LYS A 68 -2.308 3.434 3.839 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.833 2.406 4.829 1.00 0.00 C ATOM 1028 NZ LYS A 68 -3.986 1.642 4.277 1.00 0.00 N ATOM 0 H LYS A 68 -0.250 0.006 1.390 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.163 0.502 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.160 1.874 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.775 2.289 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.499 2.314 3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.694 3.651 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.907 4.291 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.130 3.802 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.033 1.715 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.137 2.908 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.820 1.786 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.195 1.976 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.750 0.630 4.249 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.278 -0.130 0.454 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.397 -0.697 -0.288 1.00 0.00 C ATOM 1044 C ALA A 69 -4.752 -2.086 0.232 1.00 0.00 C ATOM 1045 O ALA A 69 -5.925 -2.451 0.307 1.00 0.00 O ATOM 1046 CB ALA A 69 -4.071 -0.754 -1.773 1.00 0.00 C ATOM 0 H ALA A 69 -2.547 0.276 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.263 -0.051 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.916 -1.180 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.874 0.253 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.190 -1.376 -1.928 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.731 -2.858 0.589 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.934 -4.207 1.103 1.00 0.00 C ATOM 1054 C LYS A 70 -4.802 -4.187 2.357 1.00 0.00 C ATOM 1055 O LYS A 70 -5.857 -4.819 2.402 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.588 -4.865 1.412 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.712 -6.193 2.140 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.513 -6.452 3.037 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.719 -5.868 4.426 1.00 0.00 C ATOM 1060 NZ LYS A 70 -1.473 -4.400 4.453 1.00 0.00 N ATOM 0 H LYS A 70 -2.754 -2.572 0.532 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.448 -4.787 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.047 -5.021 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.990 -4.183 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.623 -6.197 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.805 -7.000 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.341 -7.525 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.620 -6.017 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.737 -6.072 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.049 -6.361 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.968 -4.149 5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.897 -4.129 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.382 -3.895 4.421 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.351 -3.457 3.372 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.088 -3.356 4.626 1.00 0.00 C ATOM 1076 C GLU A 71 -6.518 -2.883 4.380 1.00 0.00 C ATOM 1077 O GLU A 71 -7.473 -3.472 4.886 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.379 -2.395 5.584 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.622 -2.709 7.050 1.00 0.00 C ATOM 1080 CD GLU A 71 -3.504 -2.212 7.946 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -3.066 -1.057 7.765 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -3.066 -2.980 8.829 1.00 0.00 O ATOM 0 H GLU A 71 -3.480 -2.927 3.351 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.124 -4.347 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.307 -2.424 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.713 -1.378 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.563 -2.256 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.730 -3.787 7.174 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.656 -1.816 3.601 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.968 -1.264 3.287 1.00 0.00 C ATOM 1091 C ILE A 72 -8.873 -2.320 2.662 1.00 0.00 C ATOM 1092 O ILE A 72 -10.022 -2.491 3.073 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.860 -0.064 2.328 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.918 0.995 2.905 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.235 0.530 2.065 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.333 1.492 4.271 1.00 0.00 C ATOM 0 H ILE A 72 -5.875 -1.316 3.175 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.402 -0.928 4.229 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.449 -0.412 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.912 0.579 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.871 1.840 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.141 1.377 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.878 -0.226 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.672 0.866 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.620 2.240 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.326 1.938 4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.353 0.657 4.971 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.348 -3.028 1.667 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.108 -4.070 0.986 1.00 0.00 C ATOM 1110 C LEU A 73 -9.414 -5.227 1.931 1.00 0.00 C ATOM 1111 O LEU A 73 -10.575 -5.503 2.237 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.333 -4.581 -0.230 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.164 -3.591 -1.383 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.252 -4.169 -2.454 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.517 -3.223 -1.974 1.00 0.00 C ATOM 0 H LEU A 73 -7.400 -2.899 1.315 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.052 -3.638 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.343 -4.895 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.838 -5.469 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.702 -2.684 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.144 -3.450 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.273 -4.380 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.685 -5.092 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.377 -2.518 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.007 -4.122 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.138 -2.766 -1.204 1.00 0.00 H new ATOM 1127 N THR A 74 -8.365 -5.901 2.393 1.00 0.00 N ATOM 1128 CA THR A 74 -8.521 -7.027 3.304 1.00 0.00 C ATOM 1129 C THR A 74 -9.664 -6.787 4.284 1.00 0.00 C ATOM 1130 O THR A 74 -10.444 -7.693 4.577 1.00 0.00 O ATOM 1131 CB THR A 74 -7.227 -7.292 4.097 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.868 -6.129 4.851 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.088 -7.669 3.162 1.00 0.00 C ATOM 0 H THR A 74 -7.398 -5.686 2.151 1.00 0.00 H new ATOM 0 HA THR A 74 -8.748 -7.900 2.692 1.00 0.00 H new ATOM 0 HB THR A 74 -7.407 -8.124 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.286 -5.338 4.451 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.185 -7.851 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.353 -8.571 2.611 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.909 -6.855 2.460 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.757 -5.561 4.789 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.806 -5.202 5.736 1.00 0.00 C ATOM 1143 C ASN A 75 -12.084 -4.798 5.007 1.00 0.00 C ATOM 1144 O ASN A 75 -12.060 -3.943 4.122 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.337 -4.059 6.639 1.00 0.00 C ATOM 1146 CG ASN A 75 -11.017 -4.077 7.995 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -11.451 -5.126 8.470 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -11.113 -2.911 8.623 1.00 0.00 N ATOM 0 H ASN A 75 -9.119 -4.800 4.558 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.021 -6.077 6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.258 -4.127 6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.537 -3.106 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.561 -2.860 9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.739 -2.066 8.191 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.197 -5.417 5.387 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.484 -5.121 4.768 1.00 0.00 C ATOM 1157 C GLU A 76 -14.980 -3.738 5.180 1.00 0.00 C ATOM 1158 O GLU A 76 -15.625 -3.041 4.397 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.517 -6.182 5.155 1.00 0.00 C ATOM 1160 CG GLU A 76 -16.736 -6.203 4.249 1.00 0.00 C ATOM 1161 CD GLU A 76 -17.926 -6.891 4.888 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -18.654 -6.226 5.654 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -18.129 -8.095 4.623 1.00 0.00 O ATOM 0 H GLU A 76 -13.234 -6.126 6.120 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.350 -5.133 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.043 -7.163 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.840 -6.005 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.009 -5.180 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.484 -6.711 3.318 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.675 -3.350 6.414 1.00 0.00 N ATOM 1171 CA GLU A 77 -15.091 -2.051 6.930 1.00 0.00 C ATOM 1172 C GLU A 77 -14.464 -0.918 6.123 1.00 0.00 C ATOM 1173 O GLU A 77 -15.147 0.024 5.721 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.706 -1.916 8.405 1.00 0.00 C ATOM 1175 CG GLU A 77 -15.186 -0.624 9.044 1.00 0.00 C ATOM 1176 CD GLU A 77 -14.556 -0.375 10.401 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -14.753 -1.210 11.308 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -13.867 0.655 10.556 1.00 0.00 O ATOM 0 H GLU A 77 -14.142 -3.916 7.074 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.175 -1.982 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.118 -2.760 8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.621 -1.975 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.957 0.211 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.270 -0.657 9.151 1.00 0.00 H new ATOM 1185 N SER A 78 -13.159 -1.018 5.891 1.00 0.00 N ATOM 1186 CA SER A 78 -12.438 0.000 5.136 1.00 0.00 C ATOM 1187 C SER A 78 -12.643 -0.189 3.636 1.00 0.00 C ATOM 1188 O SER A 78 -12.712 0.781 2.880 1.00 0.00 O ATOM 1189 CB SER A 78 -10.945 -0.050 5.468 1.00 0.00 C ATOM 1190 OG SER A 78 -10.352 1.231 5.343 1.00 0.00 O ATOM 0 H SER A 78 -12.580 -1.793 6.215 1.00 0.00 H new ATOM 0 HA SER A 78 -12.834 0.975 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.807 -0.420 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.444 -0.753 4.802 1.00 0.00 H new ATOM 0 HG SER A 78 -9.604 1.308 5.972 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.739 -1.445 3.212 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.934 -1.763 1.802 1.00 0.00 C ATOM 1198 C ARG A 79 -14.234 -1.155 1.283 1.00 0.00 C ATOM 1199 O ARG A 79 -14.278 -0.604 0.184 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.949 -3.278 1.597 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.177 -3.695 0.153 1.00 0.00 C ATOM 1202 CD ARG A 79 -12.973 -5.190 -0.035 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.506 -5.514 -1.380 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.546 -6.737 -1.897 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -13.029 -7.746 -1.185 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.103 -6.953 -3.129 1.00 0.00 N ATOM 0 H ARG A 79 -12.685 -2.259 3.824 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.103 -1.336 1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.001 -3.692 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.731 -3.713 2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.189 -3.424 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.493 -3.149 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.251 -5.552 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.911 -5.711 0.158 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.128 -4.760 -1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.371 -7.584 -0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.059 -8.684 -1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.731 -6.179 -3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.134 -7.893 -3.525 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.291 -1.261 2.082 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.591 -0.722 1.704 1.00 0.00 C ATOM 1222 C ALA A 80 -16.552 0.801 1.625 1.00 0.00 C ATOM 1223 O ALA A 80 -16.962 1.390 0.625 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.657 -1.173 2.692 1.00 0.00 C ATOM 0 H ALA A 80 -15.272 -1.715 2.995 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.842 -1.105 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.623 -0.763 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.711 -2.262 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.401 -0.818 3.690 1.00 0.00 H new ATOM 1230 N ARG A 81 -16.057 1.431 2.686 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.966 2.885 2.736 1.00 0.00 C ATOM 1232 C ARG A 81 -15.222 3.426 1.519 1.00 0.00 C ATOM 1233 O ARG A 81 -15.641 4.410 0.909 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.260 3.329 4.018 1.00 0.00 C ATOM 1235 CG ARG A 81 -16.058 3.050 5.282 1.00 0.00 C ATOM 1236 CD ARG A 81 -15.304 3.493 6.526 1.00 0.00 C ATOM 1237 NE ARG A 81 -16.152 3.473 7.715 1.00 0.00 N ATOM 1238 CZ ARG A 81 -15.782 3.973 8.889 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -14.587 4.529 9.030 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -16.610 3.917 9.925 1.00 0.00 N ATOM 0 H ARG A 81 -15.713 0.957 3.521 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.979 3.288 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.298 2.822 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.054 4.398 3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.015 3.569 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.276 1.984 5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.446 2.840 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.915 4.500 6.375 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.078 3.052 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.948 4.574 8.236 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.306 4.912 9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.530 3.490 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.326 4.301 10.826 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.116 2.777 1.172 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.312 3.195 0.030 1.00 0.00 C ATOM 1256 C TYR A 82 -14.144 3.204 -1.249 1.00 0.00 C ATOM 1257 O TYR A 82 -13.875 3.972 -2.173 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.108 2.266 -0.139 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.297 2.547 -1.384 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -10.595 3.738 -1.526 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.233 1.622 -2.419 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -9.853 3.999 -2.662 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.493 1.874 -3.558 1.00 0.00 C ATOM 1264 CZ TYR A 82 -9.805 3.063 -3.675 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.068 3.319 -4.808 1.00 0.00 O ATOM 0 H TYR A 82 -13.756 1.960 1.665 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.958 4.209 0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.462 2.359 0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.457 1.234 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.630 4.472 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.771 0.690 -2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.314 4.930 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.454 1.144 -4.353 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.189 2.588 -5.449 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.157 2.346 -1.293 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.032 2.255 -2.457 1.00 0.00 C ATOM 1277 C ASP A 83 -17.079 3.363 -2.437 1.00 0.00 C ATOM 1278 O ASP A 83 -17.727 3.638 -3.448 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.717 0.889 -2.501 1.00 0.00 C ATOM 1280 CG ASP A 83 -17.021 0.438 -3.916 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -16.063 0.183 -4.676 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -18.216 0.340 -4.263 1.00 0.00 O ATOM 0 H ASP A 83 -15.393 1.704 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.420 2.374 -3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.079 0.150 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.644 0.932 -1.930 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.242 3.996 -1.280 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.212 5.075 -1.128 1.00 0.00 C ATOM 1289 C HIS A 84 -17.596 6.418 -1.511 1.00 0.00 C ATOM 1290 O HIS A 84 -18.309 7.375 -1.813 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.726 5.129 0.311 1.00 0.00 C ATOM 1292 CG HIS A 84 -20.016 5.876 0.459 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -21.250 5.292 0.267 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -20.258 7.167 0.785 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -22.196 6.193 0.466 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -21.620 7.339 0.782 1.00 0.00 N ATOM 0 H HIS A 84 -16.715 3.781 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.049 4.874 -1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.861 4.112 0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.970 5.598 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.518 7.921 1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -23.259 6.022 0.384 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -22.108 8.210 0.990 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.269 6.480 -1.494 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.558 7.706 -1.839 1.00 0.00 C ATOM 1306 C TRP A 85 -15.225 7.742 -3.326 1.00 0.00 C ATOM 1307 O TRP A 85 -15.267 8.799 -3.956 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.276 7.825 -1.014 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.288 8.796 -1.587 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.121 10.103 -1.228 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.334 8.536 -2.622 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.120 10.672 -1.978 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.620 9.731 -2.839 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.010 7.411 -3.384 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.606 9.830 -3.788 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.004 7.510 -4.325 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.310 8.712 -4.520 1.00 0.00 C ATOM 0 H TRP A 85 -15.665 5.697 -1.245 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.209 8.550 -1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.532 8.134 -0.001 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.808 6.843 -0.939 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.692 10.614 -0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.801 11.638 -1.905 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.537 6.480 -3.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.072 10.756 -3.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.748 6.646 -4.921 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.527 8.757 -5.262 1.00 0.00 H new ATOM 1328 N ARG A 86 -14.894 6.581 -3.883 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.552 6.481 -5.296 1.00 0.00 C ATOM 1330 C ARG A 86 -15.702 6.974 -6.170 1.00 0.00 C ATOM 1331 O ARG A 86 -15.483 7.570 -7.224 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.207 5.036 -5.659 1.00 0.00 C ATOM 1333 CG ARG A 86 -12.772 4.653 -5.334 1.00 0.00 C ATOM 1334 CD ARG A 86 -12.432 3.267 -5.861 1.00 0.00 C ATOM 1335 NE ARG A 86 -12.282 3.256 -7.314 1.00 0.00 N ATOM 1336 CZ ARG A 86 -12.396 2.160 -8.056 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -12.660 0.993 -7.484 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -12.246 2.230 -9.372 1.00 0.00 N ATOM 0 H ARG A 86 -14.856 5.697 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.682 7.112 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.882 4.366 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.382 4.886 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.092 5.386 -5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.623 4.680 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.508 2.920 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.216 2.567 -5.572 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.079 4.138 -7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.776 0.936 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.747 0.153 -8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.043 3.126 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.334 1.388 -9.941 1.00 0.00 H new ATOM 1352 N ARG A 87 -16.928 6.721 -5.723 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.113 7.138 -6.464 1.00 0.00 C ATOM 1354 C ARG A 87 -18.174 8.658 -6.581 1.00 0.00 C ATOM 1355 O ARG A 87 -18.644 9.195 -7.584 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.378 6.616 -5.781 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.825 7.462 -4.599 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.019 6.842 -3.891 1.00 0.00 C ATOM 1359 NE ARG A 87 -21.587 7.740 -2.888 1.00 0.00 N ATOM 1360 CZ ARG A 87 -22.327 8.802 -3.188 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -22.587 9.097 -4.454 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -22.808 9.571 -2.219 1.00 0.00 N ATOM 0 H ARG A 87 -17.127 6.229 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.051 6.716 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.185 6.574 -6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.202 5.595 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.000 7.571 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.084 8.463 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.784 6.588 -4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -20.714 5.911 -3.413 1.00 0.00 H new ATOM 0 HE ARG A 87 -21.406 7.541 -1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -22.219 8.508 -5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -23.155 9.913 -4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -22.610 9.347 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -23.376 10.386 -2.449 1.00 0.00 H new ATOM 1376 N SER A 88 -17.697 9.346 -5.548 1.00 0.00 N ATOM 1377 CA SER A 88 -17.702 10.804 -5.532 1.00 0.00 C ATOM 1378 C SER A 88 -16.429 11.358 -6.165 1.00 0.00 C ATOM 1379 O SER A 88 -16.363 12.534 -6.521 1.00 0.00 O ATOM 1380 CB SER A 88 -17.838 11.319 -4.098 1.00 0.00 C ATOM 1381 OG SER A 88 -19.057 10.891 -3.516 1.00 0.00 O ATOM 0 H SER A 88 -17.302 8.917 -4.711 1.00 0.00 H new ATOM 0 HA SER A 88 -18.556 11.147 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.000 10.962 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.792 12.408 -4.093 1.00 0.00 H new ATOM 0 HG SER A 88 -19.119 11.232 -2.599 1.00 0.00 H new ATOM 1387 N GLN A 89 -15.422 10.501 -6.301 1.00 0.00 N ATOM 1388 CA GLN A 89 -14.151 10.905 -6.890 1.00 0.00 C ATOM 1389 C GLN A 89 -13.798 12.336 -6.496 1.00 0.00 C ATOM 1390 O GLN A 89 -13.408 13.143 -7.338 1.00 0.00 O ATOM 1391 CB GLN A 89 -14.209 10.783 -8.414 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.461 11.392 -9.026 1.00 0.00 C ATOM 1393 CD GLN A 89 -15.395 11.463 -10.539 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -15.512 10.447 -11.225 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -15.208 12.666 -11.068 1.00 0.00 N ATOM 0 H GLN A 89 -15.462 9.524 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.376 10.241 -6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.332 11.268 -8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.156 9.729 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.329 10.802 -8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.606 12.395 -8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -15.116 13.481 -10.462 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.156 12.775 -12.081 1.00 0.00 H new ATOM 1404 N MET A 90 -13.939 12.642 -5.210 1.00 0.00 N ATOM 1405 CA MET A 90 -13.635 13.975 -4.705 1.00 0.00 C ATOM 1406 C MET A 90 -12.273 14.448 -5.204 1.00 0.00 C ATOM 1407 O MET A 90 -11.469 13.652 -5.690 1.00 0.00 O ATOM 1408 CB MET A 90 -13.660 13.982 -3.175 1.00 0.00 C ATOM 1409 CG MET A 90 -14.973 13.490 -2.587 1.00 0.00 C ATOM 1410 SD MET A 90 -15.152 13.906 -0.842 1.00 0.00 S ATOM 1411 CE MET A 90 -16.492 12.816 -0.370 1.00 0.00 C ATOM 0 H MET A 90 -14.262 11.985 -4.500 1.00 0.00 H new ATOM 0 HA MET A 90 -14.397 14.660 -5.077 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.848 13.357 -2.804 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.470 14.995 -2.821 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.802 13.923 -3.147 1.00 0.00 H new ATOM 0 HG3 MET A 90 -15.038 12.409 -2.707 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.720 12.956 0.687 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.375 13.046 -0.966 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.197 11.781 -0.543 1.00 0.00 H new ATOM 1421 N SER A 91 -12.021 15.747 -5.082 1.00 0.00 N ATOM 1422 CA SER A 91 -10.758 16.326 -5.524 1.00 0.00 C ATOM 1423 C SER A 91 -9.579 15.668 -4.813 1.00 0.00 C ATOM 1424 O SER A 91 -8.568 15.342 -5.434 1.00 0.00 O ATOM 1425 CB SER A 91 -10.745 17.834 -5.268 1.00 0.00 C ATOM 1426 OG SER A 91 -10.775 18.115 -3.879 1.00 0.00 O ATOM 0 H SER A 91 -12.675 16.419 -4.681 1.00 0.00 H new ATOM 0 HA SER A 91 -10.661 16.146 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.852 18.274 -5.712 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.604 18.296 -5.755 1.00 0.00 H new ATOM 0 HG SER A 91 -10.764 19.085 -3.741 1.00 0.00 H new ATOM 1432 N MET A 92 -9.719 15.476 -3.505 1.00 0.00 N ATOM 1433 CA MET A 92 -8.667 14.855 -2.708 1.00 0.00 C ATOM 1434 C MET A 92 -8.811 13.337 -2.704 1.00 0.00 C ATOM 1435 O MET A 92 -9.896 12.792 -2.910 1.00 0.00 O ATOM 1436 CB MET A 92 -8.704 15.387 -1.274 1.00 0.00 C ATOM 1437 CG MET A 92 -9.575 14.560 -0.342 1.00 0.00 C ATOM 1438 SD MET A 92 -11.325 14.653 -0.764 1.00 0.00 S ATOM 1439 CE MET A 92 -12.042 15.011 0.838 1.00 0.00 C ATOM 0 H MET A 92 -10.549 15.741 -2.975 1.00 0.00 H new ATOM 0 HA MET A 92 -7.707 15.109 -3.158 1.00 0.00 H new ATOM 0 HB2 MET A 92 -7.688 15.415 -0.879 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.070 16.414 -1.285 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.252 13.520 -0.376 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.433 14.904 0.682 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.073 15.341 0.710 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.023 14.112 1.454 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.467 15.798 1.326 1.00 0.00 H new ATOM 1449 N PRO A 93 -7.693 12.636 -2.465 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.670 11.170 -2.429 1.00 0.00 C ATOM 1451 C PRO A 93 -8.399 10.609 -1.212 1.00 0.00 C ATOM 1452 O PRO A 93 -8.582 11.303 -0.212 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.177 10.840 -2.357 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.553 12.045 -1.741 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.365 13.219 -2.212 1.00 0.00 C ATOM 0 HA PRO A 93 -8.176 10.733 -3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.997 9.949 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.766 10.644 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.562 11.976 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.511 12.144 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.408 14.006 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.943 13.664 -3.113 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.813 9.350 -1.305 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.522 8.696 -0.212 1.00 0.00 C ATOM 1465 C PHE A 94 -8.731 8.799 1.089 1.00 0.00 C ATOM 1466 O PHE A 94 -9.304 8.985 2.162 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.780 7.226 -0.550 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.159 6.394 0.642 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.414 6.517 1.218 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.262 5.490 1.186 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.765 5.754 2.315 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.608 4.723 2.283 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.862 4.855 2.848 1.00 0.00 C ATOM 0 H PHE A 94 -8.670 8.762 -2.126 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.477 9.204 -0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.576 7.167 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.885 6.804 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.125 7.217 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.281 5.383 0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.745 5.860 2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.899 4.022 2.698 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.135 4.257 3.704 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.412 8.676 0.983 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.542 8.754 2.151 1.00 0.00 C ATOM 1485 C GLN A 95 -6.949 9.911 3.057 1.00 0.00 C ATOM 1486 O GLN A 95 -7.171 9.726 4.253 1.00 0.00 O ATOM 1487 CB GLN A 95 -5.084 8.919 1.717 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.113 9.034 2.881 1.00 0.00 C ATOM 1489 CD GLN A 95 -4.028 7.760 3.699 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -5.034 7.273 4.215 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.824 7.213 3.821 1.00 0.00 N ATOM 0 H GLN A 95 -6.923 8.522 0.101 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.644 7.825 2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.799 8.067 1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.998 9.809 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.123 9.283 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.422 9.856 3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.017 7.651 3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.706 6.355 4.360 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.045 11.104 2.478 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.425 12.291 3.234 1.00 0.00 C ATOM 1502 C GLN A 96 -8.816 12.130 3.838 1.00 0.00 C ATOM 1503 O GLN A 96 -9.019 12.380 5.026 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.386 13.528 2.335 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.796 14.809 3.045 1.00 0.00 C ATOM 1506 CD GLN A 96 -7.618 16.039 2.177 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -6.581 16.218 1.538 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -8.633 16.895 2.148 1.00 0.00 N ATOM 0 H GLN A 96 -6.865 11.274 1.488 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.709 12.418 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.377 13.648 1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.045 13.368 1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.839 14.733 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.205 14.922 3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.474 16.707 2.693 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.571 17.740 1.580 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.769 11.713 3.013 1.00 0.00 N ATOM 1518 CA TRP A 97 -11.141 11.520 3.466 1.00 0.00 C ATOM 1519 C TRP A 97 -11.174 10.806 4.813 1.00 0.00 C ATOM 1520 O TRP A 97 -11.896 11.213 5.723 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.934 10.719 2.431 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.415 10.765 2.652 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.206 11.878 2.680 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.283 9.649 2.879 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.513 11.521 2.910 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.587 10.159 3.034 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -14.086 8.268 2.963 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.685 9.337 3.270 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -15.177 7.453 3.198 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.463 7.988 3.348 1.00 0.00 C ATOM 0 H TRP A 97 -9.617 11.502 2.027 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.600 12.502 3.585 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.710 11.103 1.436 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.603 9.681 2.454 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.856 12.890 2.542 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.300 12.166 2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -13.099 7.845 2.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.677 9.748 3.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -15.036 6.385 3.267 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.295 7.324 3.529 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.388 9.741 4.933 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.329 8.972 6.171 1.00 0.00 C ATOM 1543 C GLU A 98 -9.888 9.851 7.338 1.00 0.00 C ATOM 1544 O GLU A 98 -10.410 9.738 8.446 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.370 7.790 6.017 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.278 7.260 4.596 1.00 0.00 C ATOM 1547 CD GLU A 98 -8.641 5.887 4.525 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -9.274 4.913 4.983 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -7.507 5.785 4.010 1.00 0.00 O ATOM 0 H GLU A 98 -9.784 9.391 4.189 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.329 8.594 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.377 8.094 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.692 6.984 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.278 7.215 4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.699 7.957 3.989 1.00 0.00 H new ATOM 1556 N ALA A 99 -8.922 10.726 7.079 1.00 0.00 N ATOM 1557 CA ALA A 99 -8.411 11.626 8.106 1.00 0.00 C ATOM 1558 C ALA A 99 -9.509 12.549 8.623 1.00 0.00 C ATOM 1559 O ALA A 99 -9.450 13.027 9.756 1.00 0.00 O ATOM 1560 CB ALA A 99 -7.246 12.440 7.562 1.00 0.00 C ATOM 0 H ALA A 99 -8.477 10.831 6.167 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.058 11.021 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.874 13.108 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.447 11.768 7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.581 13.029 6.708 1.00 0.00 H new ATOM 1566 N LEU A 100 -10.509 12.797 7.785 1.00 0.00 N ATOM 1567 CA LEU A 100 -11.622 13.665 8.157 1.00 0.00 C ATOM 1568 C LEU A 100 -12.654 12.904 8.983 1.00 0.00 C ATOM 1569 O LEU A 100 -13.406 13.497 9.754 1.00 0.00 O ATOM 1570 CB LEU A 100 -12.281 14.247 6.905 1.00 0.00 C ATOM 1571 CG LEU A 100 -11.552 15.417 6.244 1.00 0.00 C ATOM 1572 CD1 LEU A 100 -10.271 14.939 5.579 1.00 0.00 C ATOM 1573 CD2 LEU A 100 -12.456 16.105 5.232 1.00 0.00 C ATOM 0 H LEU A 100 -10.573 12.410 6.843 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.228 14.480 8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.386 13.449 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.287 14.574 7.167 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.289 16.140 7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.765 15.785 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.617 14.492 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.511 14.197 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.921 16.935 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.750 15.391 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.346 16.482 5.736 1.00 0.00 H new ATOM 1585 N ASN A 101 -12.681 11.585 8.817 1.00 0.00 N ATOM 1586 CA ASN A 101 -13.619 10.742 9.548 1.00 0.00 C ATOM 1587 C ASN A 101 -13.036 10.318 10.893 1.00 0.00 C ATOM 1588 O ASN A 101 -13.692 10.429 11.928 1.00 0.00 O ATOM 1589 CB ASN A 101 -13.976 9.505 8.722 1.00 0.00 C ATOM 1590 CG ASN A 101 -14.346 8.317 9.590 1.00 0.00 C ATOM 1591 OD1 ASN A 101 -15.475 8.212 10.069 1.00 0.00 O ATOM 1592 ND2 ASN A 101 -13.393 7.416 9.795 1.00 0.00 N ATOM 0 H ASN A 101 -12.064 11.078 8.183 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.523 11.322 9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.809 9.741 8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.131 9.239 8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.582 6.595 10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.471 7.545 9.378 1.00 0.00 H new ATOM 1599 N ASP A 102 -11.800 9.833 10.869 1.00 0.00 N ATOM 1600 CA ASP A 102 -11.126 9.394 12.086 1.00 0.00 C ATOM 1601 C ASP A 102 -10.887 10.570 13.028 1.00 0.00 C ATOM 1602 O ASP A 102 -10.592 11.681 12.588 1.00 0.00 O ATOM 1603 CB ASP A 102 -9.797 8.719 11.744 1.00 0.00 C ATOM 1604 CG ASP A 102 -9.237 7.922 12.905 1.00 0.00 C ATOM 1605 OD1 ASP A 102 -9.058 8.506 13.993 1.00 0.00 O ATOM 1606 OD2 ASP A 102 -8.978 6.713 12.725 1.00 0.00 O ATOM 0 H ASP A 102 -11.244 9.734 10.020 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.770 8.673 12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.938 8.059 10.888 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.074 9.478 11.446 1.00 0.00 H new ATOM 1611 N SER A 103 -11.015 10.316 14.326 1.00 0.00 N ATOM 1612 CA SER A 103 -10.818 11.355 15.331 1.00 0.00 C ATOM 1613 C SER A 103 -9.411 11.282 15.917 1.00 0.00 C ATOM 1614 O SER A 103 -8.835 10.202 16.048 1.00 0.00 O ATOM 1615 CB SER A 103 -11.855 11.218 16.447 1.00 0.00 C ATOM 1616 OG SER A 103 -13.147 11.581 15.990 1.00 0.00 O ATOM 0 H SER A 103 -11.254 9.400 14.707 1.00 0.00 H new ATOM 0 HA SER A 103 -10.942 12.324 14.847 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.870 10.190 16.810 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.573 11.850 17.289 1.00 0.00 H new ATOM 0 HG SER A 103 -13.792 11.483 16.721 1.00 0.00 H new ATOM 1622 N VAL A 104 -8.863 12.441 16.270 1.00 0.00 N ATOM 1623 CA VAL A 104 -7.524 12.511 16.843 1.00 0.00 C ATOM 1624 C VAL A 104 -7.539 12.131 18.320 1.00 0.00 C ATOM 1625 O VAL A 104 -7.546 12.996 19.195 1.00 0.00 O ATOM 1626 CB VAL A 104 -6.922 13.920 16.693 1.00 0.00 C ATOM 1627 CG1 VAL A 104 -6.653 14.233 15.229 1.00 0.00 C ATOM 1628 CG2 VAL A 104 -7.844 14.962 17.308 1.00 0.00 C ATOM 0 H VAL A 104 -9.326 13.344 16.169 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.907 11.800 16.293 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.972 13.948 17.227 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.228 15.233 15.143 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.951 13.504 14.824 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.587 14.187 14.669 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.402 15.952 17.193 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.811 14.935 16.805 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.981 14.747 18.368 1.00 0.00 H new ATOM 1638 N LYS A 105 -7.542 10.830 18.590 1.00 0.00 N ATOM 1639 CA LYS A 105 -7.554 10.333 19.961 1.00 0.00 C ATOM 1640 C LYS A 105 -6.211 9.706 20.323 1.00 0.00 C ATOM 1641 O LYS A 105 -5.514 10.182 21.220 1.00 0.00 O ATOM 1642 CB LYS A 105 -8.674 9.306 20.143 1.00 0.00 C ATOM 1643 CG LYS A 105 -9.205 9.231 21.564 1.00 0.00 C ATOM 1644 CD LYS A 105 -9.935 7.923 21.819 1.00 0.00 C ATOM 1645 CE LYS A 105 -8.962 6.768 22.004 1.00 0.00 C ATOM 1646 NZ LYS A 105 -8.540 6.621 23.424 1.00 0.00 N ATOM 0 H LYS A 105 -7.536 10.100 17.877 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.733 11.178 20.626 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.495 9.553 19.470 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.306 8.323 19.849 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.379 9.331 22.268 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.881 10.067 21.745 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.559 8.021 22.708 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -10.602 7.708 20.984 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.428 5.843 21.666 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.084 6.929 21.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.878 5.824 23.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.072 7.495 23.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.375 6.442 24.018 1.00 0.00 H new ATOM 1660 N THR A 106 -5.853 8.636 19.620 1.00 0.00 N ATOM 1661 CA THR A 106 -4.594 7.945 19.868 1.00 0.00 C ATOM 1662 C THR A 106 -3.403 8.856 19.594 1.00 0.00 C ATOM 1663 O THR A 106 -3.376 9.574 18.594 1.00 0.00 O ATOM 1664 CB THR A 106 -4.468 6.679 18.999 1.00 0.00 C ATOM 1665 OG1 THR A 106 -5.728 6.004 18.932 1.00 0.00 O ATOM 1666 CG2 THR A 106 -3.412 5.740 19.563 1.00 0.00 C ATOM 0 H THR A 106 -6.418 8.229 18.874 1.00 0.00 H new ATOM 0 HA THR A 106 -4.593 7.657 20.919 1.00 0.00 H new ATOM 0 HB THR A 106 -4.165 6.981 17.996 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.640 5.201 18.377 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.340 4.853 18.933 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.448 6.248 19.585 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.690 5.445 20.575 1.00 0.00 H new ATOM 1674 N SER A 107 -2.420 8.822 20.488 1.00 0.00 N ATOM 1675 CA SER A 107 -1.227 9.648 20.343 1.00 0.00 C ATOM 1676 C SER A 107 -0.825 9.771 18.876 1.00 0.00 C ATOM 1677 O SER A 107 -0.819 10.865 18.312 1.00 0.00 O ATOM 1678 CB SER A 107 -0.071 9.057 21.152 1.00 0.00 C ATOM 1679 OG SER A 107 -0.410 8.952 22.524 1.00 0.00 O ATOM 0 H SER A 107 -2.426 8.232 21.320 1.00 0.00 H new ATOM 0 HA SER A 107 -1.456 10.643 20.723 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.185 8.072 20.761 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.814 9.684 21.040 1.00 0.00 H new ATOM 0 HG SER A 107 0.345 8.570 23.019 1.00 0.00 H new ATOM 1685 N GLY A 108 -0.491 8.640 18.264 1.00 0.00 N ATOM 1686 CA GLY A 108 -0.092 8.641 16.868 1.00 0.00 C ATOM 1687 C GLY A 108 1.351 8.219 16.677 1.00 0.00 C ATOM 1688 O GLY A 108 2.216 8.493 17.509 1.00 0.00 O ATOM 0 H GLY A 108 -0.489 7.722 18.709 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.741 7.968 16.307 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.233 9.639 16.454 1.00 0.00 H new ATOM 1692 N PRO A 109 1.627 7.532 15.558 1.00 0.00 N ATOM 1693 CA PRO A 109 2.975 7.055 15.235 1.00 0.00 C ATOM 1694 C PRO A 109 3.925 8.195 14.887 1.00 0.00 C ATOM 1695 O PRO A 109 3.540 9.364 14.903 1.00 0.00 O ATOM 1696 CB PRO A 109 2.750 6.156 14.017 1.00 0.00 C ATOM 1697 CG PRO A 109 1.500 6.671 13.391 1.00 0.00 C ATOM 1698 CD PRO A 109 0.645 7.169 14.523 1.00 0.00 C ATOM 0 HA PRO A 109 3.440 6.545 16.079 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.590 6.210 13.325 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.645 5.111 14.310 1.00 0.00 H new ATOM 0 HG2 PRO A 109 1.719 7.472 12.685 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.990 5.885 12.833 1.00 0.00 H new ATOM 0 HD2 PRO A 109 0.041 8.026 14.224 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.044 6.401 14.874 1.00 0.00 H new ATOM 1706 N SER A 110 5.169 7.848 14.572 1.00 0.00 N ATOM 1707 CA SER A 110 6.176 8.843 14.223 1.00 0.00 C ATOM 1708 C SER A 110 6.182 9.107 12.720 1.00 0.00 C ATOM 1709 O SER A 110 7.240 9.259 12.110 1.00 0.00 O ATOM 1710 CB SER A 110 7.561 8.379 14.676 1.00 0.00 C ATOM 1711 OG SER A 110 7.806 7.041 14.279 1.00 0.00 O ATOM 0 H SER A 110 5.504 6.885 14.551 1.00 0.00 H new ATOM 0 HA SER A 110 5.926 9.771 14.736 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.323 9.033 14.252 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.638 8.460 15.760 1.00 0.00 H new ATOM 0 HG SER A 110 8.698 6.769 14.579 1.00 0.00 H new ATOM 1717 N SER A 111 4.992 9.158 12.131 1.00 0.00 N ATOM 1718 CA SER A 111 4.858 9.399 10.699 1.00 0.00 C ATOM 1719 C SER A 111 5.417 10.769 10.324 1.00 0.00 C ATOM 1720 O SER A 111 6.267 10.884 9.442 1.00 0.00 O ATOM 1721 CB SER A 111 3.390 9.303 10.278 1.00 0.00 C ATOM 1722 OG SER A 111 3.231 9.621 8.907 1.00 0.00 O ATOM 0 H SER A 111 4.107 9.036 12.623 1.00 0.00 H new ATOM 0 HA SER A 111 5.430 8.635 10.173 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.020 8.295 10.466 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.790 9.982 10.884 1.00 0.00 H new ATOM 0 HG SER A 111 2.285 9.551 8.663 1.00 0.00 H new ATOM 1728 N GLY A 112 4.932 11.805 11.002 1.00 0.00 N ATOM 1729 CA GLY A 112 5.394 13.153 10.726 1.00 0.00 C ATOM 1730 C GLY A 112 5.250 14.071 11.924 1.00 0.00 C ATOM 1731 O GLY A 112 5.785 13.791 12.996 1.00 0.00 O ATOM 0 H GLY A 112 4.228 11.735 11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.440 13.120 10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.830 13.563 9.888 1.00 0.00 H new TER 1735 GLY A 112