USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 937 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.73) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.35 K(o=-1.4,f=-5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.218 K(o=-0.22,f=-2) USER MOD Single : A 45 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.67) USER MOD Single : A 49 ASN : amide:sc= -5.03! K(o=-5!,f=-1.7) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 61 THR OG1 : rot 130:sc= 0 USER MOD Single : A 63 SER OG : rot 123:sc= -0.059 USER MOD Single : A 64 HIS : no HD1:sc= -0.048 X(o=-0.048,f=-0.049) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.156 USER MOD Single : A 68 GLN : amide:sc= -0.715 K(o=-0.71,f=-2.4!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.332 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -60:sc= -2.09 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.849 K(o=-0.85,f=-0.11) USER MOD Single : A 98 THR OG1 : rot 15:sc= 1.14 USER MOD Single : A 103 SER OG : rot 52:sc= -0.0902 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot -140:sc= -0.0424 USER MOD Single : A 113 THR OG1 : rot 85:sc= 0.0676 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 100.552 -17.985 -30.052 1.00 0.00 N ATOM 2 CA GLY A 1 101.572 -18.778 -29.311 1.00 0.00 C ATOM 3 C GLY A 1 102.416 -19.638 -30.229 1.00 0.00 C ATOM 4 O GLY A 1 102.499 -20.854 -30.050 1.00 0.00 O ATOM 0 H1 GLY A 1 100.001 -17.414 -29.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 101.027 -17.357 -30.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 99.915 -18.629 -30.562 1.00 0.00 H new ATOM 0 HA2 GLY A 1 102.220 -18.101 -28.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 101.073 -19.414 -28.580 1.00 0.00 H new ATOM 10 N HIS A 2 103.046 -19.008 -31.215 1.00 0.00 N ATOM 11 CA HIS A 2 103.889 -19.726 -32.165 1.00 0.00 C ATOM 12 C HIS A 2 104.684 -18.754 -33.032 1.00 0.00 C ATOM 13 O HIS A 2 104.888 -18.993 -34.222 1.00 0.00 O ATOM 14 CB HIS A 2 103.034 -20.635 -33.049 1.00 0.00 C ATOM 15 CG HIS A 2 103.836 -21.605 -33.861 1.00 0.00 C ATOM 16 ND1 HIS A 2 103.924 -21.543 -35.235 1.00 0.00 N ATOM 17 CD2 HIS A 2 104.589 -22.665 -33.485 1.00 0.00 C ATOM 18 CE1 HIS A 2 104.696 -22.523 -35.670 1.00 0.00 C ATOM 19 NE2 HIS A 2 105.113 -23.218 -34.628 1.00 0.00 N ATOM 0 H HIS A 2 102.989 -18.003 -31.377 1.00 0.00 H new ATOM 0 HA HIS A 2 104.593 -20.337 -31.599 1.00 0.00 H new ATOM 0 HB2 HIS A 2 102.337 -21.189 -32.420 1.00 0.00 H new ATOM 0 HB3 HIS A 2 102.437 -20.018 -33.720 1.00 0.00 H new ATOM 0 HD2 HIS A 2 104.748 -23.011 -32.475 1.00 0.00 H new ATOM 0 HE1 HIS A 2 104.944 -22.722 -36.702 1.00 0.00 H new ATOM 0 HE2 HIS A 2 105.725 -24.033 -34.666 1.00 0.00 H new ATOM 27 N MET A 3 105.130 -17.658 -32.428 1.00 0.00 N ATOM 28 CA MET A 3 105.905 -16.651 -33.143 1.00 0.00 C ATOM 29 C MET A 3 107.349 -16.631 -32.655 1.00 0.00 C ATOM 30 O MET A 3 108.276 -16.402 -33.432 1.00 0.00 O ATOM 31 CB MET A 3 105.271 -15.268 -32.965 1.00 0.00 C ATOM 32 CG MET A 3 105.060 -14.523 -34.271 1.00 0.00 C ATOM 33 SD MET A 3 106.265 -13.204 -34.525 1.00 0.00 S ATOM 34 CE MET A 3 105.193 -11.772 -34.584 1.00 0.00 C ATOM 0 H MET A 3 104.968 -17.444 -31.444 1.00 0.00 H new ATOM 0 HA MET A 3 105.903 -16.909 -34.202 1.00 0.00 H new ATOM 0 HB2 MET A 3 104.311 -15.380 -32.461 1.00 0.00 H new ATOM 0 HB3 MET A 3 105.905 -14.668 -32.313 1.00 0.00 H new ATOM 0 HG2 MET A 3 105.120 -15.228 -35.100 1.00 0.00 H new ATOM 0 HG3 MET A 3 104.056 -14.099 -34.284 1.00 0.00 H new ATOM 0 HE1 MET A 3 105.793 -10.875 -34.737 1.00 0.00 H new ATOM 0 HE2 MET A 3 104.486 -11.880 -35.407 1.00 0.00 H new ATOM 0 HE3 MET A 3 104.647 -11.688 -33.645 1.00 0.00 H new ATOM 44 N GLY A 4 107.534 -16.873 -31.360 1.00 0.00 N ATOM 45 CA GLY A 4 108.867 -16.879 -30.789 1.00 0.00 C ATOM 46 C GLY A 4 109.114 -15.693 -29.879 1.00 0.00 C ATOM 47 O GLY A 4 109.755 -14.720 -30.276 1.00 0.00 O ATOM 0 H GLY A 4 106.783 -17.065 -30.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 109.014 -17.801 -30.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 109.603 -16.876 -31.593 1.00 0.00 H new ATOM 51 N LEU A 5 108.601 -15.771 -28.655 1.00 0.00 N ATOM 52 CA LEU A 5 108.769 -14.696 -27.685 1.00 0.00 C ATOM 53 C LEU A 5 108.967 -15.257 -26.280 1.00 0.00 C ATOM 54 O LEU A 5 108.512 -14.673 -25.298 1.00 0.00 O ATOM 55 CB LEU A 5 107.557 -13.764 -27.708 1.00 0.00 C ATOM 56 CG LEU A 5 107.866 -12.294 -27.419 1.00 0.00 C ATOM 57 CD1 LEU A 5 108.131 -11.540 -28.712 1.00 0.00 C ATOM 58 CD2 LEU A 5 106.722 -11.650 -26.649 1.00 0.00 C ATOM 0 H LEU A 5 108.065 -16.568 -28.312 1.00 0.00 H new ATOM 0 HA LEU A 5 109.659 -14.129 -27.960 1.00 0.00 H new ATOM 0 HB2 LEU A 5 107.082 -13.834 -28.687 1.00 0.00 H new ATOM 0 HB3 LEU A 5 106.831 -14.118 -26.976 1.00 0.00 H new ATOM 0 HG LEU A 5 108.764 -12.246 -26.804 1.00 0.00 H new ATOM 0 HD11 LEU A 5 108.349 -10.496 -28.486 1.00 0.00 H new ATOM 0 HD12 LEU A 5 108.983 -11.986 -29.225 1.00 0.00 H new ATOM 0 HD13 LEU A 5 107.251 -11.597 -29.353 1.00 0.00 H new ATOM 0 HD21 LEU A 5 106.959 -10.604 -26.452 1.00 0.00 H new ATOM 0 HD22 LEU A 5 105.807 -11.710 -27.239 1.00 0.00 H new ATOM 0 HD23 LEU A 5 106.579 -12.174 -25.704 1.00 0.00 H new ATOM 70 N GLU A 6 109.650 -16.393 -26.195 1.00 0.00 N ATOM 71 CA GLU A 6 109.909 -17.037 -24.912 1.00 0.00 C ATOM 72 C GLU A 6 110.744 -16.137 -24.002 1.00 0.00 C ATOM 73 O GLU A 6 110.304 -15.762 -22.915 1.00 0.00 O ATOM 74 CB GLU A 6 110.622 -18.375 -25.125 1.00 0.00 C ATOM 75 CG GLU A 6 109.759 -19.582 -24.796 1.00 0.00 C ATOM 76 CD GLU A 6 110.051 -20.151 -23.421 1.00 0.00 C ATOM 77 OE1 GLU A 6 111.243 -20.303 -23.083 1.00 0.00 O ATOM 78 OE2 GLU A 6 109.087 -20.445 -22.684 1.00 0.00 O ATOM 0 H GLU A 6 110.035 -16.888 -27.000 1.00 0.00 H new ATOM 0 HA GLU A 6 108.950 -17.217 -24.426 1.00 0.00 H new ATOM 0 HB2 GLU A 6 110.947 -18.443 -26.163 1.00 0.00 H new ATOM 0 HB3 GLU A 6 111.520 -18.401 -24.508 1.00 0.00 H new ATOM 0 HG2 GLU A 6 108.708 -19.299 -24.852 1.00 0.00 H new ATOM 0 HG3 GLU A 6 109.921 -20.355 -25.547 1.00 0.00 H new ATOM 85 N PRO A 7 111.965 -15.775 -24.437 1.00 0.00 N ATOM 86 CA PRO A 7 112.861 -14.920 -23.651 1.00 0.00 C ATOM 87 C PRO A 7 112.333 -13.497 -23.501 1.00 0.00 C ATOM 88 O PRO A 7 112.343 -12.934 -22.406 1.00 0.00 O ATOM 89 CB PRO A 7 114.163 -14.924 -24.459 1.00 0.00 C ATOM 90 CG PRO A 7 113.746 -15.248 -25.851 1.00 0.00 C ATOM 91 CD PRO A 7 112.568 -16.171 -25.725 1.00 0.00 C ATOM 0 HA PRO A 7 112.974 -15.287 -22.631 1.00 0.00 H new ATOM 0 HB2 PRO A 7 114.661 -13.956 -24.411 1.00 0.00 H new ATOM 0 HB3 PRO A 7 114.865 -15.664 -24.074 1.00 0.00 H new ATOM 0 HG2 PRO A 7 113.477 -14.344 -26.398 1.00 0.00 H new ATOM 0 HG3 PRO A 7 114.558 -15.724 -26.401 1.00 0.00 H new ATOM 0 HD2 PRO A 7 111.869 -16.047 -26.552 1.00 0.00 H new ATOM 0 HD3 PRO A 7 112.875 -17.217 -25.721 1.00 0.00 H new ATOM 99 N TYR A 8 111.871 -12.919 -24.605 1.00 0.00 N ATOM 100 CA TYR A 8 111.341 -11.559 -24.591 1.00 0.00 C ATOM 101 C TYR A 8 110.171 -11.437 -23.618 1.00 0.00 C ATOM 102 O TYR A 8 110.004 -10.410 -22.961 1.00 0.00 O ATOM 103 CB TYR A 8 110.900 -11.147 -25.999 1.00 0.00 C ATOM 104 CG TYR A 8 111.712 -10.010 -26.579 1.00 0.00 C ATOM 105 CD1 TYR A 8 111.526 -8.704 -26.142 1.00 0.00 C ATOM 106 CD2 TYR A 8 112.663 -10.243 -27.565 1.00 0.00 C ATOM 107 CE1 TYR A 8 112.266 -7.663 -26.671 1.00 0.00 C ATOM 108 CE2 TYR A 8 113.406 -9.207 -28.098 1.00 0.00 C ATOM 109 CZ TYR A 8 113.204 -7.919 -27.648 1.00 0.00 C ATOM 110 OH TYR A 8 113.943 -6.885 -28.177 1.00 0.00 O ATOM 0 H TYR A 8 111.853 -13.370 -25.520 1.00 0.00 H new ATOM 0 HA TYR A 8 112.134 -10.890 -24.257 1.00 0.00 H new ATOM 0 HB2 TYR A 8 110.974 -12.010 -26.661 1.00 0.00 H new ATOM 0 HB3 TYR A 8 109.850 -10.855 -25.971 1.00 0.00 H new ATOM 0 HD1 TYR A 8 110.792 -8.499 -25.377 1.00 0.00 H new ATOM 0 HD2 TYR A 8 112.824 -11.250 -27.920 1.00 0.00 H new ATOM 0 HE1 TYR A 8 112.110 -6.654 -26.320 1.00 0.00 H new ATOM 0 HE2 TYR A 8 114.142 -9.405 -28.864 1.00 0.00 H new ATOM 0 HH TYR A 8 114.560 -7.236 -28.853 1.00 0.00 H new ATOM 120 N GLU A 9 109.364 -12.489 -23.533 1.00 0.00 N ATOM 121 CA GLU A 9 108.210 -12.496 -22.640 1.00 0.00 C ATOM 122 C GLU A 9 108.643 -12.303 -21.189 1.00 0.00 C ATOM 123 O GLU A 9 107.942 -11.665 -20.403 1.00 0.00 O ATOM 124 CB GLU A 9 107.434 -13.808 -22.784 1.00 0.00 C ATOM 125 CG GLU A 9 106.241 -13.918 -21.848 1.00 0.00 C ATOM 126 CD GLU A 9 105.185 -12.866 -22.123 1.00 0.00 C ATOM 127 OE1 GLU A 9 105.146 -12.345 -23.258 1.00 0.00 O ATOM 128 OE2 GLU A 9 104.397 -12.561 -21.203 1.00 0.00 O ATOM 0 H GLU A 9 109.487 -13.347 -24.071 1.00 0.00 H new ATOM 0 HA GLU A 9 107.561 -11.666 -22.920 1.00 0.00 H new ATOM 0 HB2 GLU A 9 107.087 -13.904 -23.813 1.00 0.00 H new ATOM 0 HB3 GLU A 9 108.110 -14.642 -22.596 1.00 0.00 H new ATOM 0 HG2 GLU A 9 105.796 -14.908 -21.947 1.00 0.00 H new ATOM 0 HG3 GLU A 9 106.583 -13.824 -20.817 1.00 0.00 H new ATOM 135 N ILE A 10 109.799 -12.856 -20.841 1.00 0.00 N ATOM 136 CA ILE A 10 110.321 -12.742 -19.485 1.00 0.00 C ATOM 137 C ILE A 10 110.789 -11.321 -19.194 1.00 0.00 C ATOM 138 O ILE A 10 110.209 -10.624 -18.362 1.00 0.00 O ATOM 139 CB ILE A 10 111.492 -13.717 -19.247 1.00 0.00 C ATOM 140 CG1 ILE A 10 111.117 -15.128 -19.706 1.00 0.00 C ATOM 141 CG2 ILE A 10 111.887 -13.720 -17.777 1.00 0.00 C ATOM 142 CD1 ILE A 10 109.952 -15.723 -18.946 1.00 0.00 C ATOM 0 H ILE A 10 110.392 -13.387 -21.479 1.00 0.00 H new ATOM 0 HA ILE A 10 109.504 -12.998 -18.810 1.00 0.00 H new ATOM 0 HB ILE A 10 112.347 -13.382 -19.834 1.00 0.00 H new ATOM 0 HG12 ILE A 10 110.872 -15.102 -20.768 1.00 0.00 H new ATOM 0 HG13 ILE A 10 111.984 -15.780 -19.594 1.00 0.00 H new ATOM 0 HG21 ILE A 10 112.715 -14.413 -17.624 1.00 0.00 H new ATOM 0 HG22 ILE A 10 112.194 -12.717 -17.481 1.00 0.00 H new ATOM 0 HG23 ILE A 10 111.036 -14.033 -17.172 1.00 0.00 H new ATOM 0 HD11 ILE A 10 109.743 -16.723 -19.325 1.00 0.00 H new ATOM 0 HD12 ILE A 10 110.201 -15.781 -17.886 1.00 0.00 H new ATOM 0 HD13 ILE A 10 109.072 -15.094 -19.078 1.00 0.00 H new ATOM 154 N SER A 11 111.842 -10.896 -19.885 1.00 0.00 N ATOM 155 CA SER A 11 112.389 -9.555 -19.702 1.00 0.00 C ATOM 156 C SER A 11 112.755 -9.310 -18.241 1.00 0.00 C ATOM 157 O SER A 11 111.960 -8.765 -17.475 1.00 0.00 O ATOM 158 CB SER A 11 111.381 -8.505 -20.174 1.00 0.00 C ATOM 159 OG SER A 11 111.915 -7.723 -21.229 1.00 0.00 O ATOM 0 H SER A 11 112.334 -11.461 -20.577 1.00 0.00 H new ATOM 0 HA SER A 11 113.296 -9.473 -20.301 1.00 0.00 H new ATOM 0 HB2 SER A 11 110.468 -8.997 -20.508 1.00 0.00 H new ATOM 0 HB3 SER A 11 111.107 -7.858 -19.340 1.00 0.00 H new ATOM 0 HG SER A 11 111.251 -7.061 -21.514 1.00 0.00 H new ATOM 165 N THR A 12 113.963 -9.714 -17.863 1.00 0.00 N ATOM 166 CA THR A 12 114.433 -9.537 -16.495 1.00 0.00 C ATOM 167 C THR A 12 114.853 -8.093 -16.241 1.00 0.00 C ATOM 168 O THR A 12 114.716 -7.582 -15.130 1.00 0.00 O ATOM 169 CB THR A 12 115.622 -10.466 -16.183 1.00 0.00 C ATOM 170 OG1 THR A 12 115.384 -11.768 -16.731 1.00 0.00 O ATOM 171 CG2 THR A 12 115.844 -10.577 -14.682 1.00 0.00 C ATOM 0 H THR A 12 114.634 -10.166 -18.485 1.00 0.00 H new ATOM 0 HA THR A 12 113.600 -9.793 -15.840 1.00 0.00 H new ATOM 0 HB THR A 12 116.516 -10.038 -16.636 1.00 0.00 H new ATOM 0 HG1 THR A 12 116.145 -12.352 -16.530 1.00 0.00 H new ATOM 0 HG21 THR A 12 116.688 -11.238 -14.487 1.00 0.00 H new ATOM 0 HG22 THR A 12 116.054 -9.589 -14.271 1.00 0.00 H new ATOM 0 HG23 THR A 12 114.949 -10.983 -14.211 1.00 0.00 H new ATOM 179 N LEU A 13 115.365 -7.441 -17.280 1.00 0.00 N ATOM 180 CA LEU A 13 115.805 -6.054 -17.171 1.00 0.00 C ATOM 181 C LEU A 13 114.617 -5.118 -16.970 1.00 0.00 C ATOM 182 O LEU A 13 114.736 -4.080 -16.320 1.00 0.00 O ATOM 183 CB LEU A 13 116.584 -5.646 -18.422 1.00 0.00 C ATOM 184 CG LEU A 13 117.930 -6.355 -18.607 1.00 0.00 C ATOM 185 CD1 LEU A 13 117.934 -7.174 -19.890 1.00 0.00 C ATOM 186 CD2 LEU A 13 119.070 -5.347 -18.615 1.00 0.00 C ATOM 0 H LEU A 13 115.486 -7.850 -18.207 1.00 0.00 H new ATOM 0 HA LEU A 13 116.457 -5.974 -16.301 1.00 0.00 H new ATOM 0 HB2 LEU A 13 115.964 -5.841 -19.297 1.00 0.00 H new ATOM 0 HB3 LEU A 13 116.759 -4.571 -18.388 1.00 0.00 H new ATOM 0 HG LEU A 13 118.076 -7.033 -17.766 1.00 0.00 H new ATOM 0 HD11 LEU A 13 118.898 -7.669 -20.003 1.00 0.00 H new ATOM 0 HD12 LEU A 13 117.144 -7.924 -19.846 1.00 0.00 H new ATOM 0 HD13 LEU A 13 117.762 -6.516 -20.742 1.00 0.00 H new ATOM 0 HD21 LEU A 13 120.017 -5.870 -18.747 1.00 0.00 H new ATOM 0 HD22 LEU A 13 118.927 -4.642 -19.434 1.00 0.00 H new ATOM 0 HD23 LEU A 13 119.084 -4.806 -17.669 1.00 0.00 H new ATOM 198 N PHE A 14 113.473 -5.491 -17.533 1.00 0.00 N ATOM 199 CA PHE A 14 112.263 -4.685 -17.416 1.00 0.00 C ATOM 200 C PHE A 14 111.679 -4.781 -16.009 1.00 0.00 C ATOM 201 O PHE A 14 111.063 -3.836 -15.516 1.00 0.00 O ATOM 202 CB PHE A 14 111.226 -5.133 -18.447 1.00 0.00 C ATOM 203 CG PHE A 14 110.810 -4.043 -19.394 1.00 0.00 C ATOM 204 CD1 PHE A 14 111.612 -3.699 -20.471 1.00 0.00 C ATOM 205 CD2 PHE A 14 109.617 -3.362 -19.207 1.00 0.00 C ATOM 206 CE1 PHE A 14 111.232 -2.697 -21.344 1.00 0.00 C ATOM 207 CE2 PHE A 14 109.232 -2.359 -20.076 1.00 0.00 C ATOM 208 CZ PHE A 14 110.041 -2.026 -21.146 1.00 0.00 C ATOM 0 H PHE A 14 113.358 -6.347 -18.075 1.00 0.00 H new ATOM 0 HA PHE A 14 112.528 -3.645 -17.608 1.00 0.00 H new ATOM 0 HB2 PHE A 14 111.633 -5.966 -19.021 1.00 0.00 H new ATOM 0 HB3 PHE A 14 110.345 -5.506 -17.925 1.00 0.00 H new ATOM 0 HD1 PHE A 14 112.545 -4.220 -20.630 1.00 0.00 H new ATOM 0 HD2 PHE A 14 108.981 -3.618 -18.372 1.00 0.00 H new ATOM 0 HE1 PHE A 14 111.865 -2.439 -22.180 1.00 0.00 H new ATOM 0 HE2 PHE A 14 108.300 -1.836 -19.919 1.00 0.00 H new ATOM 0 HZ PHE A 14 109.742 -1.242 -21.826 1.00 0.00 H new ATOM 218 N GLU A 15 111.877 -5.929 -15.369 1.00 0.00 N ATOM 219 CA GLU A 15 111.369 -6.150 -14.020 1.00 0.00 C ATOM 220 C GLU A 15 111.990 -5.163 -13.035 1.00 0.00 C ATOM 221 O GLU A 15 111.283 -4.518 -12.259 1.00 0.00 O ATOM 222 CB GLU A 15 111.659 -7.585 -13.574 1.00 0.00 C ATOM 223 CG GLU A 15 110.533 -8.211 -12.768 1.00 0.00 C ATOM 224 CD GLU A 15 109.393 -8.698 -13.642 1.00 0.00 C ATOM 225 OE1 GLU A 15 109.634 -8.970 -14.836 1.00 0.00 O ATOM 226 OE2 GLU A 15 108.258 -8.809 -13.130 1.00 0.00 O ATOM 0 H GLU A 15 112.386 -6.721 -15.763 1.00 0.00 H new ATOM 0 HA GLU A 15 110.291 -5.991 -14.033 1.00 0.00 H new ATOM 0 HB2 GLU A 15 111.849 -8.199 -14.454 1.00 0.00 H new ATOM 0 HB3 GLU A 15 112.571 -7.594 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU A 15 110.926 -9.047 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 15 110.152 -7.481 -12.054 1.00 0.00 H new ATOM 233 N GLN A 16 113.313 -5.053 -13.071 1.00 0.00 N ATOM 234 CA GLN A 16 114.030 -4.146 -12.182 1.00 0.00 C ATOM 235 C GLN A 16 113.689 -2.693 -12.495 1.00 0.00 C ATOM 236 O GLN A 16 113.672 -1.842 -11.604 1.00 0.00 O ATOM 237 CB GLN A 16 115.539 -4.366 -12.308 1.00 0.00 C ATOM 238 CG GLN A 16 116.356 -3.587 -11.290 1.00 0.00 C ATOM 239 CD GLN A 16 117.829 -3.945 -11.328 1.00 0.00 C ATOM 240 OE1 GLN A 16 118.527 -3.649 -12.298 1.00 0.00 O ATOM 241 NE2 GLN A 16 118.309 -4.588 -10.270 1.00 0.00 N ATOM 0 H GLN A 16 113.911 -5.581 -13.706 1.00 0.00 H new ATOM 0 HA GLN A 16 113.721 -4.359 -11.159 1.00 0.00 H new ATOM 0 HB2 GLN A 16 115.753 -5.429 -12.196 1.00 0.00 H new ATOM 0 HB3 GLN A 16 115.857 -4.081 -13.311 1.00 0.00 H new ATOM 0 HG2 GLN A 16 116.240 -2.519 -11.477 1.00 0.00 H new ATOM 0 HG3 GLN A 16 115.965 -3.780 -10.291 1.00 0.00 H new ATOM 0 HE21 GLN A 16 117.694 -4.813 -9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 16 119.293 -4.857 -10.239 1.00 0.00 H new ATOM 250 N ARG A 17 113.418 -2.415 -13.765 1.00 0.00 N ATOM 251 CA ARG A 17 113.081 -1.065 -14.198 1.00 0.00 C ATOM 252 C ARG A 17 111.680 -0.671 -13.739 1.00 0.00 C ATOM 253 O ARG A 17 111.452 0.460 -13.311 1.00 0.00 O ATOM 254 CB ARG A 17 113.177 -0.962 -15.722 1.00 0.00 C ATOM 255 CG ARG A 17 113.082 0.462 -16.244 1.00 0.00 C ATOM 256 CD ARG A 17 113.258 0.512 -17.754 1.00 0.00 C ATOM 257 NE ARG A 17 111.976 0.539 -18.454 1.00 0.00 N ATOM 258 CZ ARG A 17 111.166 1.595 -18.476 1.00 0.00 C ATOM 259 NH1 ARG A 17 111.502 2.710 -17.841 1.00 0.00 N ATOM 260 NH2 ARG A 17 110.017 1.535 -19.135 1.00 0.00 N ATOM 0 H ARG A 17 113.425 -3.108 -14.513 1.00 0.00 H new ATOM 0 HA ARG A 17 113.795 -0.378 -13.743 1.00 0.00 H new ATOM 0 HB2 ARG A 17 114.122 -1.397 -16.048 1.00 0.00 H new ATOM 0 HB3 ARG A 17 112.381 -1.557 -16.169 1.00 0.00 H new ATOM 0 HG2 ARG A 17 112.115 0.886 -15.975 1.00 0.00 H new ATOM 0 HG3 ARG A 17 113.844 1.078 -15.767 1.00 0.00 H new ATOM 0 HD2 ARG A 17 113.836 1.396 -18.022 1.00 0.00 H new ATOM 0 HD3 ARG A 17 113.831 -0.355 -18.081 1.00 0.00 H new ATOM 0 HE ARG A 17 111.685 -0.300 -18.955 1.00 0.00 H new ATOM 0 HH11 ARG A 17 112.385 2.761 -17.333 1.00 0.00 H new ATOM 0 HH12 ARG A 17 110.878 3.516 -17.861 1.00 0.00 H new ATOM 0 HH21 ARG A 17 109.754 0.680 -19.625 1.00 0.00 H new ATOM 0 HH22 ARG A 17 109.396 2.344 -19.152 1.00 0.00 H new ATOM 274 N GLN A 18 110.745 -1.611 -13.830 1.00 0.00 N ATOM 275 CA GLN A 18 109.366 -1.360 -13.426 1.00 0.00 C ATOM 276 C GLN A 18 109.235 -1.323 -11.907 1.00 0.00 C ATOM 277 O GLN A 18 108.380 -0.623 -11.365 1.00 0.00 O ATOM 278 CB GLN A 18 108.441 -2.435 -14.003 1.00 0.00 C ATOM 279 CG GLN A 18 107.847 -2.067 -15.353 1.00 0.00 C ATOM 280 CD GLN A 18 106.678 -1.109 -15.232 1.00 0.00 C ATOM 281 OE1 GLN A 18 106.860 0.108 -15.178 1.00 0.00 O ATOM 282 NE2 GLN A 18 105.467 -1.653 -15.189 1.00 0.00 N ATOM 0 H GLN A 18 110.917 -2.554 -14.180 1.00 0.00 H new ATOM 0 HA GLN A 18 109.073 -0.386 -13.818 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.998 -3.366 -14.103 1.00 0.00 H new ATOM 0 HB3 GLN A 18 107.631 -2.622 -13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 18 108.620 -1.615 -15.975 1.00 0.00 H new ATOM 0 HG3 GLN A 18 107.518 -2.974 -15.861 1.00 0.00 H new ATOM 0 HE21 GLN A 18 105.361 -2.666 -15.237 1.00 0.00 H new ATOM 0 HE22 GLN A 18 104.643 -1.057 -15.108 1.00 0.00 H new ATOM 291 N ALA A 19 110.089 -2.079 -11.224 1.00 0.00 N ATOM 292 CA ALA A 19 110.067 -2.136 -9.765 1.00 0.00 C ATOM 293 C ALA A 19 110.142 -0.741 -9.150 1.00 0.00 C ATOM 294 O ALA A 19 109.647 -0.512 -8.046 1.00 0.00 O ATOM 295 CB ALA A 19 111.212 -2.999 -9.256 1.00 0.00 C ATOM 0 H ALA A 19 110.806 -2.661 -11.657 1.00 0.00 H new ATOM 0 HA ALA A 19 109.120 -2.583 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 19 111.185 -3.034 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 19 111.111 -4.009 -9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 19 112.161 -2.574 -9.582 1.00 0.00 H new ATOM 301 N MET A 20 110.762 0.189 -9.870 1.00 0.00 N ATOM 302 CA MET A 20 110.901 1.560 -9.394 1.00 0.00 C ATOM 303 C MET A 20 109.538 2.192 -9.117 1.00 0.00 C ATOM 304 O MET A 20 109.435 3.154 -8.357 1.00 0.00 O ATOM 305 CB MET A 20 111.666 2.402 -10.417 1.00 0.00 C ATOM 306 CG MET A 20 112.082 3.766 -9.892 1.00 0.00 C ATOM 307 SD MET A 20 113.708 4.273 -10.484 1.00 0.00 S ATOM 308 CE MET A 20 113.344 5.913 -11.106 1.00 0.00 C ATOM 0 H MET A 20 111.176 0.017 -10.786 1.00 0.00 H new ATOM 0 HA MET A 20 111.461 1.533 -8.459 1.00 0.00 H new ATOM 0 HB2 MET A 20 112.555 1.856 -10.732 1.00 0.00 H new ATOM 0 HB3 MET A 20 111.044 2.537 -11.302 1.00 0.00 H new ATOM 0 HG2 MET A 20 111.343 4.508 -10.194 1.00 0.00 H new ATOM 0 HG3 MET A 20 112.087 3.745 -8.802 1.00 0.00 H new ATOM 0 HE1 MET A 20 114.253 6.360 -11.507 1.00 0.00 H new ATOM 0 HE2 MET A 20 112.594 5.845 -11.894 1.00 0.00 H new ATOM 0 HE3 MET A 20 112.962 6.533 -10.295 1.00 0.00 H new ATOM 318 N LEU A 21 108.495 1.648 -9.738 1.00 0.00 N ATOM 319 CA LEU A 21 107.141 2.165 -9.558 1.00 0.00 C ATOM 320 C LEU A 21 106.772 2.255 -8.078 1.00 0.00 C ATOM 321 O LEU A 21 105.939 3.073 -7.687 1.00 0.00 O ATOM 322 CB LEU A 21 106.132 1.281 -10.294 1.00 0.00 C ATOM 323 CG LEU A 21 105.938 -0.117 -9.702 1.00 0.00 C ATOM 324 CD1 LEU A 21 104.960 -0.076 -8.535 1.00 0.00 C ATOM 325 CD2 LEU A 21 105.452 -1.084 -10.773 1.00 0.00 C ATOM 0 H LEU A 21 108.561 0.850 -10.370 1.00 0.00 H new ATOM 0 HA LEU A 21 107.111 3.170 -9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 21 105.168 1.790 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 21 106.452 1.178 -11.331 1.00 0.00 H new ATOM 0 HG LEU A 21 106.900 -0.469 -9.329 1.00 0.00 H new ATOM 0 HD11 LEU A 21 104.836 -1.080 -8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 21 105.347 0.584 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 21 103.996 0.297 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 21 105.319 -2.074 -10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 21 104.501 -0.734 -11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 21 106.188 -1.138 -11.576 1.00 0.00 H new ATOM 337 N GLN A 22 107.395 1.413 -7.260 1.00 0.00 N ATOM 338 CA GLN A 22 107.126 1.402 -5.825 1.00 0.00 C ATOM 339 C GLN A 22 107.432 2.761 -5.201 1.00 0.00 C ATOM 340 O GLN A 22 106.809 3.155 -4.215 1.00 0.00 O ATOM 341 CB GLN A 22 107.953 0.313 -5.137 1.00 0.00 C ATOM 342 CG GLN A 22 107.168 -0.490 -4.112 1.00 0.00 C ATOM 343 CD GLN A 22 106.541 0.383 -3.043 1.00 0.00 C ATOM 344 OE1 GLN A 22 105.625 1.158 -3.316 1.00 0.00 O ATOM 345 NE2 GLN A 22 107.033 0.261 -1.815 1.00 0.00 N ATOM 0 H GLN A 22 108.089 0.730 -7.565 1.00 0.00 H new ATOM 0 HA GLN A 22 106.067 1.188 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 22 108.347 -0.365 -5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 22 108.810 0.775 -4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 22 106.386 -1.054 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 22 107.830 -1.216 -3.640 1.00 0.00 H new ATOM 0 HE21 GLN A 22 107.793 -0.394 -1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 22 106.651 0.823 -1.054 1.00 0.00 H new ATOM 354 N SER A 23 108.394 3.471 -5.781 1.00 0.00 N ATOM 355 CA SER A 23 108.784 4.784 -5.279 1.00 0.00 C ATOM 356 C SER A 23 107.644 5.789 -5.426 1.00 0.00 C ATOM 357 O SER A 23 107.293 6.186 -6.537 1.00 0.00 O ATOM 358 CB SER A 23 110.022 5.289 -6.022 1.00 0.00 C ATOM 359 OG SER A 23 111.174 4.551 -5.653 1.00 0.00 O ATOM 0 H SER A 23 108.918 3.160 -6.599 1.00 0.00 H new ATOM 0 HA SER A 23 109.018 4.683 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 23 109.863 5.208 -7.097 1.00 0.00 H new ATOM 0 HB3 SER A 23 110.177 6.345 -5.802 1.00 0.00 H new ATOM 0 HG SER A 23 111.952 4.892 -6.143 1.00 0.00 H new ATOM 365 N ILE A 24 107.070 6.195 -4.297 1.00 0.00 N ATOM 366 CA ILE A 24 105.974 7.155 -4.299 1.00 0.00 C ATOM 367 C ILE A 24 105.976 7.992 -3.021 1.00 0.00 C ATOM 368 O ILE A 24 106.256 7.482 -1.935 1.00 0.00 O ATOM 369 CB ILE A 24 104.607 6.451 -4.454 1.00 0.00 C ATOM 370 CG1 ILE A 24 103.524 7.465 -4.824 1.00 0.00 C ATOM 371 CG2 ILE A 24 104.233 5.706 -3.179 1.00 0.00 C ATOM 372 CD1 ILE A 24 102.479 6.917 -5.771 1.00 0.00 C ATOM 0 H ILE A 24 107.347 5.873 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 24 106.126 7.812 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 24 104.687 5.721 -5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 24 103.033 7.808 -3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 24 103.994 8.336 -5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 24 103.267 5.219 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 24 104.992 4.954 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 24 104.172 6.411 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 24 101.744 7.691 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 24 102.958 6.600 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 24 101.982 6.064 -5.310 1.00 0.00 H new ATOM 384 N LYS A 25 105.665 9.276 -3.158 1.00 0.00 N ATOM 385 CA LYS A 25 105.634 10.183 -2.014 1.00 0.00 C ATOM 386 C LYS A 25 104.605 9.736 -0.977 1.00 0.00 C ATOM 387 O LYS A 25 104.685 10.115 0.191 1.00 0.00 O ATOM 388 CB LYS A 25 105.322 11.608 -2.476 1.00 0.00 C ATOM 389 CG LYS A 25 103.949 11.755 -3.112 1.00 0.00 C ATOM 390 CD LYS A 25 104.036 11.760 -4.630 1.00 0.00 C ATOM 391 CE LYS A 25 102.999 12.687 -5.247 1.00 0.00 C ATOM 392 NZ LYS A 25 102.132 11.977 -6.227 1.00 0.00 N ATOM 0 H LYS A 25 105.431 9.713 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 25 106.618 10.163 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 25 105.391 12.281 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 25 106.081 11.923 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.306 10.937 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 25 103.486 12.680 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 25 105.034 12.074 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 25 103.890 10.748 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.380 13.115 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.503 13.517 -5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 101.439 12.643 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 102.719 11.590 -6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 101.631 11.201 -5.749 1.00 0.00 H new ATOM 406 N GLU A 26 103.638 8.931 -1.411 1.00 0.00 N ATOM 407 CA GLU A 26 102.593 8.437 -0.519 1.00 0.00 C ATOM 408 C GLU A 26 103.194 7.746 0.703 1.00 0.00 C ATOM 409 O GLU A 26 104.041 6.862 0.575 1.00 0.00 O ATOM 410 CB GLU A 26 101.671 7.468 -1.268 1.00 0.00 C ATOM 411 CG GLU A 26 100.237 7.960 -1.377 1.00 0.00 C ATOM 412 CD GLU A 26 99.680 7.825 -2.781 1.00 0.00 C ATOM 413 OE1 GLU A 26 100.472 7.908 -3.744 1.00 0.00 O ATOM 414 OE2 GLU A 26 98.454 7.638 -2.917 1.00 0.00 O ATOM 0 H GLU A 26 103.557 8.607 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 26 102.011 9.292 -0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 26 102.067 7.302 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 26 101.679 6.504 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 26 99.610 7.397 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 26 100.191 9.005 -1.071 1.00 0.00 H new ATOM 421 N GLY A 27 102.748 8.156 1.885 1.00 0.00 N ATOM 422 CA GLY A 27 103.249 7.564 3.111 1.00 0.00 C ATOM 423 C GLY A 27 102.892 6.097 3.231 1.00 0.00 C ATOM 424 O GLY A 27 102.750 5.402 2.225 1.00 0.00 O ATOM 0 H GLY A 27 102.049 8.887 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 27 104.333 7.676 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 27 102.842 8.105 3.965 1.00 0.00 H new ATOM 428 N VAL A 28 102.747 5.621 4.464 1.00 0.00 N ATOM 429 CA VAL A 28 102.404 4.225 4.705 1.00 0.00 C ATOM 430 C VAL A 28 101.458 4.083 5.893 1.00 0.00 C ATOM 431 O VAL A 28 101.830 4.364 7.033 1.00 0.00 O ATOM 432 CB VAL A 28 103.661 3.373 4.964 1.00 0.00 C ATOM 433 CG1 VAL A 28 103.308 1.894 4.996 1.00 0.00 C ATOM 434 CG2 VAL A 28 104.723 3.652 3.910 1.00 0.00 C ATOM 0 H VAL A 28 102.861 6.180 5.309 1.00 0.00 H new ATOM 0 HA VAL A 28 101.907 3.866 3.804 1.00 0.00 H new ATOM 0 HB VAL A 28 104.067 3.647 5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 28 104.209 1.309 5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 28 102.586 1.709 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 28 102.875 1.602 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 28 105.603 3.041 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 28 104.329 3.409 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 28 104.998 4.706 3.941 1.00 0.00 H new ATOM 444 N VAL A 29 100.234 3.646 5.617 1.00 0.00 N ATOM 445 CA VAL A 29 99.234 3.462 6.662 1.00 0.00 C ATOM 446 C VAL A 29 98.343 2.261 6.360 1.00 0.00 C ATOM 447 O VAL A 29 97.523 2.299 5.443 1.00 0.00 O ATOM 448 CB VAL A 29 98.355 4.718 6.831 1.00 0.00 C ATOM 449 CG1 VAL A 29 97.596 5.022 5.547 1.00 0.00 C ATOM 450 CG2 VAL A 29 97.396 4.546 8.000 1.00 0.00 C ATOM 0 H VAL A 29 99.911 3.413 4.678 1.00 0.00 H new ATOM 0 HA VAL A 29 99.775 3.285 7.592 1.00 0.00 H new ATOM 0 HB VAL A 29 99.006 5.565 7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 29 96.982 5.912 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 29 98.305 5.196 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 29 96.956 4.177 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 29 96.784 5.442 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 29 96.752 3.686 7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 29 97.964 4.387 8.916 1.00 0.00 H new ATOM 460 N ALA A 30 98.512 1.195 7.134 1.00 0.00 N ATOM 461 CA ALA A 30 97.724 -0.017 6.949 1.00 0.00 C ATOM 462 C ALA A 30 96.733 -0.209 8.093 1.00 0.00 C ATOM 463 O ALA A 30 97.017 0.144 9.237 1.00 0.00 O ATOM 464 CB ALA A 30 98.638 -1.227 6.831 1.00 0.00 C ATOM 0 H ALA A 30 99.188 1.146 7.896 1.00 0.00 H new ATOM 0 HA ALA A 30 97.155 0.087 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 30 98.036 -2.125 6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.301 -1.100 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 30 99.232 -1.324 7.740 1.00 0.00 H new ATOM 470 N VAL A 31 95.572 -0.769 7.776 1.00 0.00 N ATOM 471 CA VAL A 31 94.540 -1.009 8.777 1.00 0.00 C ATOM 472 C VAL A 31 94.336 -2.502 9.011 1.00 0.00 C ATOM 473 O VAL A 31 94.530 -3.314 8.106 1.00 0.00 O ATOM 474 CB VAL A 31 93.197 -0.377 8.363 1.00 0.00 C ATOM 475 CG1 VAL A 31 93.302 1.141 8.356 1.00 0.00 C ATOM 476 CG2 VAL A 31 92.760 -0.895 7.002 1.00 0.00 C ATOM 0 H VAL A 31 95.321 -1.066 6.833 1.00 0.00 H new ATOM 0 HA VAL A 31 94.883 -0.543 9.701 1.00 0.00 H new ATOM 0 HB VAL A 31 92.441 -0.663 9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 31 92.345 1.571 8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 31 93.566 1.492 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 31 94.071 1.449 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 31 91.810 -0.438 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 31 93.514 -0.642 6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.642 -1.978 7.045 1.00 0.00 H new ATOM 486 N ASP A 32 93.945 -2.856 10.231 1.00 0.00 N ATOM 487 CA ASP A 32 93.716 -4.253 10.585 1.00 0.00 C ATOM 488 C ASP A 32 92.659 -4.879 9.686 1.00 0.00 C ATOM 489 O ASP A 32 92.982 -5.607 8.747 1.00 0.00 O ATOM 490 CB ASP A 32 93.294 -4.368 12.051 1.00 0.00 C ATOM 491 CG ASP A 32 94.471 -4.274 13.001 1.00 0.00 C ATOM 492 OD1 ASP A 32 95.567 -4.753 12.639 1.00 0.00 O ATOM 493 OD2 ASP A 32 94.299 -3.721 14.108 1.00 0.00 O ATOM 0 H ASP A 32 93.780 -2.196 10.991 1.00 0.00 H new ATOM 0 HA ASP A 32 94.651 -4.794 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 32 92.579 -3.578 12.283 1.00 0.00 H new ATOM 0 HB3 ASP A 32 92.781 -5.317 12.205 1.00 0.00 H new ATOM 498 N ASP A 33 91.395 -4.594 9.975 1.00 0.00 N ATOM 499 CA ASP A 33 90.299 -5.136 9.186 1.00 0.00 C ATOM 500 C ASP A 33 89.203 -4.095 8.985 1.00 0.00 C ATOM 501 O ASP A 33 89.035 -3.558 7.890 1.00 0.00 O ATOM 502 CB ASP A 33 89.723 -6.381 9.863 1.00 0.00 C ATOM 503 CG ASP A 33 90.529 -7.629 9.562 1.00 0.00 C ATOM 504 OD1 ASP A 33 91.558 -7.848 10.238 1.00 0.00 O ATOM 505 OD2 ASP A 33 90.135 -8.386 8.650 1.00 0.00 O ATOM 0 H ASP A 33 91.106 -3.993 10.747 1.00 0.00 H new ATOM 0 HA ASP A 33 90.691 -5.413 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 33 89.692 -6.223 10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 33 88.695 -6.528 9.533 1.00 0.00 H new ATOM 510 N ARG A 34 88.457 -3.816 10.049 1.00 0.00 N ATOM 511 CA ARG A 34 87.375 -2.839 9.990 1.00 0.00 C ATOM 512 C ARG A 34 87.909 -1.454 9.637 1.00 0.00 C ATOM 513 O ARG A 34 87.262 -0.692 8.919 1.00 0.00 O ATOM 514 CB ARG A 34 86.634 -2.785 11.327 1.00 0.00 C ATOM 515 CG ARG A 34 85.220 -2.237 11.218 1.00 0.00 C ATOM 516 CD ARG A 34 84.365 -3.083 10.290 1.00 0.00 C ATOM 517 NE ARG A 34 82.938 -2.879 10.527 1.00 0.00 N ATOM 518 CZ ARG A 34 82.294 -3.318 11.606 1.00 0.00 C ATOM 519 NH1 ARG A 34 82.945 -3.992 12.546 1.00 0.00 N ATOM 520 NH2 ARG A 34 80.997 -3.081 11.746 1.00 0.00 N ATOM 0 H ARG A 34 88.582 -4.252 10.962 1.00 0.00 H new ATOM 0 HA ARG A 34 86.681 -3.151 9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 34 86.594 -3.788 11.751 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.202 -2.167 12.023 1.00 0.00 H new ATOM 0 HG2 ARG A 34 84.764 -2.206 12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 34 85.253 -1.212 10.850 1.00 0.00 H new ATOM 0 HD2 ARG A 34 84.600 -2.836 9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 34 84.609 -4.136 10.430 1.00 0.00 H new ATOM 0 HE ARG A 34 82.403 -2.370 9.824 1.00 0.00 H new ATOM 0 HH11 ARG A 34 83.943 -4.176 12.443 1.00 0.00 H new ATOM 0 HH12 ARG A 34 82.447 -4.326 13.371 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.493 -2.562 11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.503 -3.417 12.573 1.00 0.00 H new ATOM 534 N GLY A 35 89.095 -1.138 10.147 1.00 0.00 N ATOM 535 CA GLY A 35 89.699 0.155 9.877 1.00 0.00 C ATOM 536 C GLY A 35 90.195 0.835 11.137 1.00 0.00 C ATOM 537 O GLY A 35 89.812 1.967 11.432 1.00 0.00 O ATOM 0 H GLY A 35 89.649 -1.754 10.742 1.00 0.00 H new ATOM 0 HA2 GLY A 35 90.531 0.027 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 35 88.970 0.798 9.383 1.00 0.00 H new ATOM 541 N GLU A 36 91.050 0.142 11.883 1.00 0.00 N ATOM 542 CA GLU A 36 91.599 0.684 13.120 1.00 0.00 C ATOM 543 C GLU A 36 92.969 1.309 12.881 1.00 0.00 C ATOM 544 O GLU A 36 93.976 0.606 12.791 1.00 0.00 O ATOM 545 CB GLU A 36 91.706 -0.416 14.178 1.00 0.00 C ATOM 546 CG GLU A 36 91.523 0.088 15.601 1.00 0.00 C ATOM 547 CD GLU A 36 91.441 -1.039 16.612 1.00 0.00 C ATOM 548 OE1 GLU A 36 90.676 -1.997 16.373 1.00 0.00 O ATOM 549 OE2 GLU A 36 92.143 -0.964 17.642 1.00 0.00 O ATOM 0 H GLU A 36 91.377 -0.796 11.652 1.00 0.00 H new ATOM 0 HA GLU A 36 90.924 1.461 13.478 1.00 0.00 H new ATOM 0 HB2 GLU A 36 90.956 -1.180 13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.681 -0.896 14.094 1.00 0.00 H new ATOM 0 HG2 GLU A 36 92.354 0.744 15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 36 90.614 0.688 15.656 1.00 0.00 H new ATOM 556 N VAL A 37 93.000 2.634 12.782 1.00 0.00 N ATOM 557 CA VAL A 37 94.248 3.353 12.557 1.00 0.00 C ATOM 558 C VAL A 37 94.978 3.602 13.872 1.00 0.00 C ATOM 559 O VAL A 37 94.925 4.700 14.426 1.00 0.00 O ATOM 560 CB VAL A 37 94.004 4.702 11.853 1.00 0.00 C ATOM 561 CG1 VAL A 37 95.326 5.360 11.486 1.00 0.00 C ATOM 562 CG2 VAL A 37 93.134 4.510 10.619 1.00 0.00 C ATOM 0 H VAL A 37 92.176 3.231 12.854 1.00 0.00 H new ATOM 0 HA VAL A 37 94.864 2.726 11.913 1.00 0.00 H new ATOM 0 HB VAL A 37 93.476 5.361 12.542 1.00 0.00 H new ATOM 0 HG11 VAL A 37 95.134 6.311 10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 37 95.909 5.534 12.390 1.00 0.00 H new ATOM 0 HG13 VAL A 37 95.883 4.707 10.815 1.00 0.00 H new ATOM 0 HG21 VAL A 37 92.972 5.473 10.135 1.00 0.00 H new ATOM 0 HG22 VAL A 37 93.632 3.834 9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 37 92.174 4.086 10.913 1.00 0.00 H new ATOM 572 N THR A 38 95.660 2.574 14.368 1.00 0.00 N ATOM 573 CA THR A 38 96.399 2.679 15.619 1.00 0.00 C ATOM 574 C THR A 38 97.905 2.669 15.376 1.00 0.00 C ATOM 575 O THR A 38 98.679 3.156 16.200 1.00 0.00 O ATOM 576 CB THR A 38 96.042 1.531 16.582 1.00 0.00 C ATOM 577 OG1 THR A 38 96.090 0.278 15.889 1.00 0.00 O ATOM 578 CG2 THR A 38 94.656 1.734 17.175 1.00 0.00 C ATOM 0 H THR A 38 95.715 1.659 13.921 1.00 0.00 H new ATOM 0 HA THR A 38 96.113 3.628 16.072 1.00 0.00 H new ATOM 0 HB THR A 38 96.770 1.526 17.393 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.864 -0.447 16.508 1.00 0.00 H new ATOM 0 HG21 THR A 38 94.426 0.911 17.852 1.00 0.00 H new ATOM 0 HG22 THR A 38 94.630 2.675 17.725 1.00 0.00 H new ATOM 0 HG23 THR A 38 93.918 1.762 16.373 1.00 0.00 H new ATOM 586 N LEU A 39 98.317 2.113 14.241 1.00 0.00 N ATOM 587 CA LEU A 39 99.731 2.040 13.896 1.00 0.00 C ATOM 588 C LEU A 39 100.113 3.143 12.915 1.00 0.00 C ATOM 589 O LEU A 39 99.311 3.543 12.071 1.00 0.00 O ATOM 590 CB LEU A 39 100.062 0.672 13.299 1.00 0.00 C ATOM 591 CG LEU A 39 101.502 0.204 13.511 1.00 0.00 C ATOM 592 CD1 LEU A 39 101.620 -0.586 14.805 1.00 0.00 C ATOM 593 CD2 LEU A 39 101.970 -0.632 12.328 1.00 0.00 C ATOM 0 H LEU A 39 97.691 1.707 13.545 1.00 0.00 H new ATOM 0 HA LEU A 39 100.308 2.179 14.810 1.00 0.00 H new ATOM 0 HB2 LEU A 39 99.388 -0.068 13.731 1.00 0.00 H new ATOM 0 HB3 LEU A 39 99.860 0.701 12.228 1.00 0.00 H new ATOM 0 HG LEU A 39 102.143 1.082 13.586 1.00 0.00 H new ATOM 0 HD11 LEU A 39 102.652 -0.911 14.940 1.00 0.00 H new ATOM 0 HD12 LEU A 39 101.326 0.044 15.644 1.00 0.00 H new ATOM 0 HD13 LEU A 39 100.968 -1.458 14.760 1.00 0.00 H new ATOM 0 HD21 LEU A 39 102.997 -0.957 12.496 1.00 0.00 H new ATOM 0 HD22 LEU A 39 101.326 -1.505 12.222 1.00 0.00 H new ATOM 0 HD23 LEU A 39 101.923 -0.034 11.418 1.00 0.00 H new ATOM 605 N ILE A 40 101.344 3.631 13.033 1.00 0.00 N ATOM 606 CA ILE A 40 101.838 4.686 12.159 1.00 0.00 C ATOM 607 C ILE A 40 103.322 4.492 11.858 1.00 0.00 C ATOM 608 O ILE A 40 104.098 4.110 12.733 1.00 0.00 O ATOM 609 CB ILE A 40 101.622 6.080 12.784 1.00 0.00 C ATOM 610 CG1 ILE A 40 102.073 7.177 11.817 1.00 0.00 C ATOM 611 CG2 ILE A 40 102.369 6.192 14.105 1.00 0.00 C ATOM 612 CD1 ILE A 40 101.566 8.553 12.186 1.00 0.00 C ATOM 0 H ILE A 40 102.018 3.311 13.728 1.00 0.00 H new ATOM 0 HA ILE A 40 101.271 4.626 11.230 1.00 0.00 H new ATOM 0 HB ILE A 40 100.557 6.210 12.978 1.00 0.00 H new ATOM 0 HG12 ILE A 40 103.162 7.197 11.785 1.00 0.00 H new ATOM 0 HG13 ILE A 40 101.729 6.929 10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 40 102.206 7.181 14.532 1.00 0.00 H new ATOM 0 HG22 ILE A 40 102.002 5.433 14.796 1.00 0.00 H new ATOM 0 HG23 ILE A 40 103.435 6.042 13.934 1.00 0.00 H new ATOM 0 HD11 ILE A 40 101.924 9.280 11.457 1.00 0.00 H new ATOM 0 HD12 ILE A 40 100.476 8.550 12.190 1.00 0.00 H new ATOM 0 HD13 ILE A 40 101.932 8.822 13.177 1.00 0.00 H new ATOM 624 N ASN A 41 103.710 4.758 10.615 1.00 0.00 N ATOM 625 CA ASN A 41 105.100 4.609 10.200 1.00 0.00 C ATOM 626 C ASN A 41 105.973 5.700 10.812 1.00 0.00 C ATOM 627 O ASN A 41 105.478 6.747 11.227 1.00 0.00 O ATOM 628 CB ASN A 41 105.208 4.651 8.674 1.00 0.00 C ATOM 629 CG ASN A 41 106.529 4.102 8.174 1.00 0.00 C ATOM 630 OD1 ASN A 41 107.115 3.208 8.784 1.00 0.00 O ATOM 631 ND2 ASN A 41 107.008 4.638 7.058 1.00 0.00 N ATOM 0 H ASN A 41 103.082 5.078 9.878 1.00 0.00 H new ATOM 0 HA ASN A 41 105.455 3.642 10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.390 4.076 8.238 1.00 0.00 H new ATOM 0 HB3 ASN A 41 105.092 5.680 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 41 107.895 4.310 6.675 1.00 0.00 H new ATOM 0 HD22 ASN A 41 106.489 5.377 6.584 1.00 0.00 H new ATOM 638 N ASP A 42 107.277 5.446 10.862 1.00 0.00 N ATOM 639 CA ASP A 42 108.223 6.403 11.423 1.00 0.00 C ATOM 640 C ASP A 42 108.191 7.717 10.647 1.00 0.00 C ATOM 641 O ASP A 42 108.225 8.798 11.235 1.00 0.00 O ATOM 642 CB ASP A 42 109.638 5.822 11.406 1.00 0.00 C ATOM 643 CG ASP A 42 110.103 5.474 10.005 1.00 0.00 C ATOM 644 OD1 ASP A 42 109.261 5.040 9.191 1.00 0.00 O ATOM 645 OD2 ASP A 42 111.308 5.636 9.722 1.00 0.00 O ATOM 0 H ASP A 42 107.703 4.584 10.520 1.00 0.00 H new ATOM 0 HA ASP A 42 107.932 6.603 12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 42 110.328 6.541 11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 42 109.668 4.928 12.029 1.00 0.00 H new ATOM 650 N ALA A 43 108.125 7.614 9.323 1.00 0.00 N ATOM 651 CA ALA A 43 108.086 8.793 8.467 1.00 0.00 C ATOM 652 C ALA A 43 106.694 9.413 8.449 1.00 0.00 C ATOM 653 O ALA A 43 106.544 10.623 8.278 1.00 0.00 O ATOM 654 CB ALA A 43 108.524 8.433 7.056 1.00 0.00 C ATOM 0 H ALA A 43 108.097 6.727 8.821 1.00 0.00 H new ATOM 0 HA ALA A 43 108.777 9.531 8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 43 108.490 9.322 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 43 109.542 8.043 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 43 107.854 7.675 6.649 1.00 0.00 H new ATOM 660 N ALA A 44 105.675 8.576 8.627 1.00 0.00 N ATOM 661 CA ALA A 44 104.294 9.045 8.634 1.00 0.00 C ATOM 662 C ALA A 44 104.076 10.091 9.721 1.00 0.00 C ATOM 663 O ALA A 44 103.407 11.101 9.500 1.00 0.00 O ATOM 664 CB ALA A 44 103.342 7.873 8.826 1.00 0.00 C ATOM 0 H ALA A 44 105.780 7.571 8.768 1.00 0.00 H new ATOM 0 HA ALA A 44 104.088 9.513 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 44 102.314 8.236 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 44 103.473 7.161 8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 44 103.557 7.382 9.775 1.00 0.00 H new ATOM 670 N GLN A 45 104.644 9.843 10.897 1.00 0.00 N ATOM 671 CA GLN A 45 104.514 10.765 12.019 1.00 0.00 C ATOM 672 C GLN A 45 105.103 12.129 11.671 1.00 0.00 C ATOM 673 O GLN A 45 104.650 13.158 12.172 1.00 0.00 O ATOM 674 CB GLN A 45 105.209 10.197 13.257 1.00 0.00 C ATOM 675 CG GLN A 45 104.420 9.096 13.947 1.00 0.00 C ATOM 676 CD GLN A 45 105.308 8.142 14.724 1.00 0.00 C ATOM 677 OE1 GLN A 45 105.789 8.468 15.808 1.00 0.00 O ATOM 678 NE2 GLN A 45 105.528 6.955 14.169 1.00 0.00 N ATOM 0 H GLN A 45 105.199 9.011 11.097 1.00 0.00 H new ATOM 0 HA GLN A 45 103.453 10.891 12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 45 106.185 9.807 12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 45 105.386 11.005 13.967 1.00 0.00 H new ATOM 0 HG2 GLN A 45 103.694 9.545 14.625 1.00 0.00 H new ATOM 0 HG3 GLN A 45 103.856 8.536 13.201 1.00 0.00 H new ATOM 0 HE21 GLN A 45 105.108 6.728 13.268 1.00 0.00 H new ATOM 0 HE22 GLN A 45 106.117 6.271 14.644 1.00 0.00 H new ATOM 687 N GLU A 46 106.116 12.128 10.811 1.00 0.00 N ATOM 688 CA GLU A 46 106.768 13.365 10.397 1.00 0.00 C ATOM 689 C GLU A 46 105.845 14.194 9.509 1.00 0.00 C ATOM 690 O GLU A 46 105.775 15.415 9.639 1.00 0.00 O ATOM 691 CB GLU A 46 108.068 13.055 9.655 1.00 0.00 C ATOM 692 CG GLU A 46 109.095 12.325 10.506 1.00 0.00 C ATOM 693 CD GLU A 46 110.429 12.169 9.805 1.00 0.00 C ATOM 694 OE1 GLU A 46 110.438 12.063 8.560 1.00 0.00 O ATOM 695 OE2 GLU A 46 111.467 12.155 10.499 1.00 0.00 O ATOM 0 H GLU A 46 106.503 11.285 10.387 1.00 0.00 H new ATOM 0 HA GLU A 46 106.998 13.944 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 46 107.840 12.451 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 46 108.503 13.988 9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 46 109.241 12.869 11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 46 108.709 11.340 10.768 1.00 0.00 H new ATOM 702 N LEU A 47 105.139 13.521 8.605 1.00 0.00 N ATOM 703 CA LEU A 47 104.218 14.195 7.697 1.00 0.00 C ATOM 704 C LEU A 47 103.164 14.976 8.476 1.00 0.00 C ATOM 705 O LEU A 47 102.695 16.023 8.031 1.00 0.00 O ATOM 706 CB LEU A 47 103.539 13.179 6.776 1.00 0.00 C ATOM 707 CG LEU A 47 103.278 13.669 5.352 1.00 0.00 C ATOM 708 CD1 LEU A 47 104.567 14.159 4.711 1.00 0.00 C ATOM 709 CD2 LEU A 47 102.652 12.563 4.515 1.00 0.00 C ATOM 0 H LEU A 47 105.187 12.510 8.482 1.00 0.00 H new ATOM 0 HA LEU A 47 104.792 14.896 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 47 104.159 12.284 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 47 102.589 12.885 7.222 1.00 0.00 H new ATOM 0 HG LEU A 47 102.579 14.504 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 47 104.361 14.504 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 47 104.976 14.981 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 47 105.289 13.343 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 47 102.473 12.929 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 47 103.328 11.709 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 47 101.706 12.258 4.963 1.00 0.00 H new ATOM 721 N LEU A 48 102.797 14.457 9.643 1.00 0.00 N ATOM 722 CA LEU A 48 101.798 15.099 10.488 1.00 0.00 C ATOM 723 C LEU A 48 102.350 16.374 11.122 1.00 0.00 C ATOM 724 O LEU A 48 101.590 17.254 11.526 1.00 0.00 O ATOM 725 CB LEU A 48 101.331 14.135 11.580 1.00 0.00 C ATOM 726 CG LEU A 48 100.179 13.211 11.180 1.00 0.00 C ATOM 727 CD1 LEU A 48 100.149 11.980 12.072 1.00 0.00 C ATOM 728 CD2 LEU A 48 98.855 13.955 11.248 1.00 0.00 C ATOM 0 H LEU A 48 103.178 13.591 10.025 1.00 0.00 H new ATOM 0 HA LEU A 48 100.949 15.369 9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 102.178 13.522 11.888 1.00 0.00 H new ATOM 0 HB3 LEU A 48 101.025 14.716 12.450 1.00 0.00 H new ATOM 0 HG LEU A 48 100.338 12.884 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 99.323 11.334 11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 48 101.089 11.437 11.974 1.00 0.00 H new ATOM 0 HD13 LEU A 48 100.013 12.286 13.109 1.00 0.00 H new ATOM 0 HD21 LEU A 48 98.045 13.284 10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 98.689 14.309 12.265 1.00 0.00 H new ATOM 0 HD23 LEU A 48 98.880 14.806 10.567 1.00 0.00 H new ATOM 740 N ASN A 49 103.675 16.469 11.208 1.00 0.00 N ATOM 741 CA ASN A 49 104.326 17.636 11.798 1.00 0.00 C ATOM 742 C ASN A 49 104.119 17.660 13.308 1.00 0.00 C ATOM 743 O ASN A 49 105.074 17.549 14.078 1.00 0.00 O ATOM 744 CB ASN A 49 103.789 18.928 11.175 1.00 0.00 C ATOM 745 CG ASN A 49 103.693 18.846 9.663 1.00 0.00 C ATOM 746 OD1 ASN A 49 103.136 19.733 9.016 1.00 0.00 O ATOM 747 ND2 ASN A 49 104.238 17.777 9.093 1.00 0.00 N ATOM 0 H ASN A 49 104.319 15.751 10.876 1.00 0.00 H new ATOM 0 HA ASN A 49 105.394 17.567 11.592 1.00 0.00 H new ATOM 0 HB2 ASN A 49 102.804 19.145 11.587 1.00 0.00 H new ATOM 0 HB3 ASN A 49 104.439 19.758 11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 49 104.205 17.667 8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 49 104.690 17.066 9.669 1.00 0.00 H new ATOM 754 N TYR A 50 102.866 17.809 13.727 1.00 0.00 N ATOM 755 CA TYR A 50 102.534 17.843 15.146 1.00 0.00 C ATOM 756 C TYR A 50 102.344 16.431 15.689 1.00 0.00 C ATOM 757 O TYR A 50 101.799 15.562 15.007 1.00 0.00 O ATOM 758 CB TYR A 50 101.267 18.669 15.374 1.00 0.00 C ATOM 759 CG TYR A 50 101.355 19.592 16.568 1.00 0.00 C ATOM 760 CD1 TYR A 50 101.121 19.121 17.854 1.00 0.00 C ATOM 761 CD2 TYR A 50 101.674 20.935 16.409 1.00 0.00 C ATOM 762 CE1 TYR A 50 101.201 19.962 18.947 1.00 0.00 C ATOM 763 CE2 TYR A 50 101.756 21.783 17.498 1.00 0.00 C ATOM 764 CZ TYR A 50 101.519 21.291 18.765 1.00 0.00 C ATOM 765 OH TYR A 50 101.600 22.131 19.851 1.00 0.00 O ATOM 0 H TYR A 50 102.065 17.908 13.104 1.00 0.00 H new ATOM 0 HA TYR A 50 103.361 18.310 15.680 1.00 0.00 H new ATOM 0 HB2 TYR A 50 101.063 19.261 14.482 1.00 0.00 H new ATOM 0 HB3 TYR A 50 100.422 17.994 15.508 1.00 0.00 H new ATOM 0 HD1 TYR A 50 100.873 18.080 18.002 1.00 0.00 H new ATOM 0 HD2 TYR A 50 101.861 21.323 15.419 1.00 0.00 H new ATOM 0 HE1 TYR A 50 101.015 19.580 19.940 1.00 0.00 H new ATOM 0 HE2 TYR A 50 102.004 22.825 17.358 1.00 0.00 H new ATOM 0 HH TYR A 50 101.835 23.033 19.550 1.00 0.00 H new ATOM 775 N ARG A 51 102.794 16.207 16.918 1.00 0.00 N ATOM 776 CA ARG A 51 102.675 14.897 17.549 1.00 0.00 C ATOM 777 C ARG A 51 101.476 14.851 18.493 1.00 0.00 C ATOM 778 O ARG A 51 101.634 14.749 19.710 1.00 0.00 O ATOM 779 CB ARG A 51 103.957 14.557 18.313 1.00 0.00 C ATOM 780 CG ARG A 51 105.055 13.984 17.432 1.00 0.00 C ATOM 781 CD ARG A 51 106.209 13.442 18.259 1.00 0.00 C ATOM 782 NE ARG A 51 107.506 13.859 17.729 1.00 0.00 N ATOM 783 CZ ARG A 51 108.657 13.262 18.029 1.00 0.00 C ATOM 784 NH1 ARG A 51 108.677 12.222 18.853 1.00 0.00 N ATOM 785 NH2 ARG A 51 109.791 13.706 17.504 1.00 0.00 N ATOM 0 H ARG A 51 103.245 16.915 17.498 1.00 0.00 H new ATOM 0 HA ARG A 51 102.522 14.157 16.764 1.00 0.00 H new ATOM 0 HB2 ARG A 51 104.328 15.457 18.803 1.00 0.00 H new ATOM 0 HB3 ARG A 51 103.722 13.840 19.100 1.00 0.00 H new ATOM 0 HG2 ARG A 51 104.646 13.187 16.811 1.00 0.00 H new ATOM 0 HG3 ARG A 51 105.422 14.757 16.757 1.00 0.00 H new ATOM 0 HD2 ARG A 51 106.110 13.786 19.288 1.00 0.00 H new ATOM 0 HD3 ARG A 51 106.159 12.353 18.281 1.00 0.00 H new ATOM 0 HE ARG A 51 107.530 14.655 17.091 1.00 0.00 H new ATOM 0 HH11 ARG A 51 107.808 11.877 19.260 1.00 0.00 H new ATOM 0 HH12 ARG A 51 109.562 11.768 19.080 1.00 0.00 H new ATOM 0 HH21 ARG A 51 109.781 14.505 16.870 1.00 0.00 H new ATOM 0 HH22 ARG A 51 110.673 13.248 17.734 1.00 0.00 H new ATOM 799 N LYS A 52 100.279 14.926 17.923 1.00 0.00 N ATOM 800 CA LYS A 52 99.053 14.890 18.711 1.00 0.00 C ATOM 801 C LYS A 52 98.492 13.472 18.778 1.00 0.00 C ATOM 802 O LYS A 52 99.162 12.511 18.397 1.00 0.00 O ATOM 803 CB LYS A 52 98.010 15.839 18.117 1.00 0.00 C ATOM 804 CG LYS A 52 97.279 16.668 19.161 1.00 0.00 C ATOM 805 CD LYS A 52 98.081 17.897 19.557 1.00 0.00 C ATOM 806 CE LYS A 52 97.897 19.028 18.559 1.00 0.00 C ATOM 807 NZ LYS A 52 96.666 19.819 18.833 1.00 0.00 N ATOM 0 H LYS A 52 100.131 15.012 16.917 1.00 0.00 H new ATOM 0 HA LYS A 52 99.291 15.215 19.724 1.00 0.00 H new ATOM 0 HB2 LYS A 52 98.501 16.509 17.411 1.00 0.00 H new ATOM 0 HB3 LYS A 52 97.282 15.258 17.551 1.00 0.00 H new ATOM 0 HG2 LYS A 52 96.309 16.976 18.769 1.00 0.00 H new ATOM 0 HG3 LYS A 52 97.087 16.057 20.043 1.00 0.00 H new ATOM 0 HD2 LYS A 52 97.772 18.231 20.548 1.00 0.00 H new ATOM 0 HD3 LYS A 52 99.138 17.637 19.623 1.00 0.00 H new ATOM 0 HE2 LYS A 52 98.765 19.686 18.592 1.00 0.00 H new ATOM 0 HE3 LYS A 52 97.847 18.617 17.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 96.579 20.580 18.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 95.834 19.197 18.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 96.724 20.233 19.785 1.00 0.00 H new ATOM 821 N SER A 53 97.261 13.348 19.262 1.00 0.00 N ATOM 822 CA SER A 53 96.613 12.046 19.377 1.00 0.00 C ATOM 823 C SER A 53 95.766 11.736 18.142 1.00 0.00 C ATOM 824 O SER A 53 94.913 10.850 18.175 1.00 0.00 O ATOM 825 CB SER A 53 95.739 11.999 20.633 1.00 0.00 C ATOM 826 OG SER A 53 96.360 11.242 21.657 1.00 0.00 O ATOM 0 H SER A 53 96.692 14.132 19.581 1.00 0.00 H new ATOM 0 HA SER A 53 97.394 11.290 19.453 1.00 0.00 H new ATOM 0 HB2 SER A 53 95.552 13.012 20.988 1.00 0.00 H new ATOM 0 HB3 SER A 53 94.770 11.562 20.390 1.00 0.00 H new ATOM 0 HG SER A 53 95.783 11.228 22.449 1.00 0.00 H new ATOM 832 N GLN A 54 96.007 12.465 17.056 1.00 0.00 N ATOM 833 CA GLN A 54 95.263 12.257 15.820 1.00 0.00 C ATOM 834 C GLN A 54 95.845 11.090 15.027 1.00 0.00 C ATOM 835 O GLN A 54 95.128 10.402 14.301 1.00 0.00 O ATOM 836 CB GLN A 54 95.276 13.530 14.971 1.00 0.00 C ATOM 837 CG GLN A 54 93.908 13.910 14.427 1.00 0.00 C ATOM 838 CD GLN A 54 93.826 13.795 12.918 1.00 0.00 C ATOM 839 OE1 GLN A 54 94.812 14.012 12.214 1.00 0.00 O ATOM 840 NE2 GLN A 54 92.647 13.451 12.414 1.00 0.00 N ATOM 0 H GLN A 54 96.710 13.203 17.008 1.00 0.00 H new ATOM 0 HA GLN A 54 94.232 12.016 16.079 1.00 0.00 H new ATOM 0 HB2 GLN A 54 95.661 14.354 15.572 1.00 0.00 H new ATOM 0 HB3 GLN A 54 95.965 13.394 14.137 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.151 13.268 14.878 1.00 0.00 H new ATOM 0 HG3 GLN A 54 93.675 14.933 14.722 1.00 0.00 H new ATOM 0 HE21 GLN A 54 91.857 13.281 13.036 1.00 0.00 H new ATOM 0 HE22 GLN A 54 92.532 13.357 11.405 1.00 0.00 H new ATOM 849 N ASP A 55 97.149 10.876 15.171 1.00 0.00 N ATOM 850 CA ASP A 55 97.827 9.791 14.471 1.00 0.00 C ATOM 851 C ASP A 55 97.247 8.439 14.874 1.00 0.00 C ATOM 852 O ASP A 55 97.062 7.557 14.035 1.00 0.00 O ATOM 853 CB ASP A 55 99.326 9.824 14.767 1.00 0.00 C ATOM 854 CG ASP A 55 99.624 9.750 16.253 1.00 0.00 C ATOM 855 OD1 ASP A 55 99.440 8.664 16.842 1.00 0.00 O ATOM 856 OD2 ASP A 55 100.043 10.778 16.826 1.00 0.00 O ATOM 0 H ASP A 55 97.757 11.439 15.766 1.00 0.00 H new ATOM 0 HA ASP A 55 97.672 9.929 13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 55 99.812 8.991 14.260 1.00 0.00 H new ATOM 0 HB3 ASP A 55 99.754 10.739 14.358 1.00 0.00 H new ATOM 861 N ASP A 56 96.962 8.285 16.163 1.00 0.00 N ATOM 862 CA ASP A 56 96.401 7.041 16.677 1.00 0.00 C ATOM 863 C ASP A 56 94.879 7.109 16.724 1.00 0.00 C ATOM 864 O ASP A 56 94.294 8.189 16.650 1.00 0.00 O ATOM 865 CB ASP A 56 96.953 6.747 18.075 1.00 0.00 C ATOM 866 CG ASP A 56 96.657 5.330 18.526 1.00 0.00 C ATOM 867 OD1 ASP A 56 97.363 4.404 18.076 1.00 0.00 O ATOM 868 OD2 ASP A 56 95.718 5.147 19.329 1.00 0.00 O ATOM 0 H ASP A 56 97.110 9.005 16.870 1.00 0.00 H new ATOM 0 HA ASP A 56 96.690 6.235 16.002 1.00 0.00 H new ATOM 0 HB2 ASP A 56 98.031 6.909 18.079 1.00 0.00 H new ATOM 0 HB3 ASP A 56 96.522 7.450 18.788 1.00 0.00 H new ATOM 873 N GLU A 57 94.242 5.949 16.847 1.00 0.00 N ATOM 874 CA GLU A 57 92.786 5.878 16.904 1.00 0.00 C ATOM 875 C GLU A 57 92.168 6.384 15.602 1.00 0.00 C ATOM 876 O GLU A 57 92.850 6.494 14.583 1.00 0.00 O ATOM 877 CB GLU A 57 92.261 6.694 18.087 1.00 0.00 C ATOM 878 CG GLU A 57 93.049 6.483 19.370 1.00 0.00 C ATOM 879 CD GLU A 57 92.348 7.057 20.586 1.00 0.00 C ATOM 880 OE1 GLU A 57 91.520 6.340 21.187 1.00 0.00 O ATOM 881 OE2 GLU A 57 92.627 8.223 20.936 1.00 0.00 O ATOM 0 H GLU A 57 94.711 5.045 16.909 1.00 0.00 H new ATOM 0 HA GLU A 57 92.500 4.835 17.039 1.00 0.00 H new ATOM 0 HB2 GLU A 57 92.284 7.752 17.826 1.00 0.00 H new ATOM 0 HB3 GLU A 57 91.218 6.432 18.264 1.00 0.00 H new ATOM 0 HG2 GLU A 57 93.213 5.416 19.520 1.00 0.00 H new ATOM 0 HG3 GLU A 57 94.031 6.945 19.269 1.00 0.00 H new ATOM 888 N LYS A 58 90.873 6.690 15.642 1.00 0.00 N ATOM 889 CA LYS A 58 90.166 7.185 14.465 1.00 0.00 C ATOM 890 C LYS A 58 90.047 6.097 13.403 1.00 0.00 C ATOM 891 O LYS A 58 90.981 5.326 13.183 1.00 0.00 O ATOM 892 CB LYS A 58 90.881 8.408 13.885 1.00 0.00 C ATOM 893 CG LYS A 58 89.935 9.497 13.406 1.00 0.00 C ATOM 894 CD LYS A 58 90.695 10.679 12.821 1.00 0.00 C ATOM 895 CE LYS A 58 90.621 10.693 11.302 1.00 0.00 C ATOM 896 NZ LYS A 58 91.640 9.798 10.687 1.00 0.00 N ATOM 0 H LYS A 58 90.293 6.604 16.477 1.00 0.00 H new ATOM 0 HA LYS A 58 89.162 7.477 14.774 1.00 0.00 H new ATOM 0 HB2 LYS A 58 91.545 8.823 14.643 1.00 0.00 H new ATOM 0 HB3 LYS A 58 91.508 8.090 13.052 1.00 0.00 H new ATOM 0 HG2 LYS A 58 89.260 9.089 12.654 1.00 0.00 H new ATOM 0 HG3 LYS A 58 89.318 9.836 14.238 1.00 0.00 H new ATOM 0 HD2 LYS A 58 90.283 11.608 13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 58 91.738 10.634 13.135 1.00 0.00 H new ATOM 0 HE2 LYS A 58 89.626 10.382 10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 58 90.767 11.711 10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 91.556 9.836 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 92.591 10.110 10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 91.485 8.822 11.011 1.00 0.00 H new ATOM 910 N LEU A 59 88.892 6.041 12.747 1.00 0.00 N ATOM 911 CA LEU A 59 88.652 5.046 11.709 1.00 0.00 C ATOM 912 C LEU A 59 89.017 5.596 10.333 1.00 0.00 C ATOM 913 O LEU A 59 89.280 6.789 10.179 1.00 0.00 O ATOM 914 CB LEU A 59 87.187 4.604 11.725 1.00 0.00 C ATOM 915 CG LEU A 59 86.962 3.103 11.533 1.00 0.00 C ATOM 916 CD1 LEU A 59 87.329 2.342 12.798 1.00 0.00 C ATOM 917 CD2 LEU A 59 85.519 2.826 11.140 1.00 0.00 C ATOM 0 H LEU A 59 88.109 6.672 12.916 1.00 0.00 H new ATOM 0 HA LEU A 59 89.285 4.183 11.914 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.743 4.904 12.674 1.00 0.00 H new ATOM 0 HB3 LEU A 59 86.653 5.139 10.940 1.00 0.00 H new ATOM 0 HG LEU A 59 87.609 2.758 10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 59 87.162 1.276 12.643 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.379 2.515 13.035 1.00 0.00 H new ATOM 0 HD13 LEU A 59 86.709 2.689 13.624 1.00 0.00 H new ATOM 0 HD21 LEU A 59 85.377 1.753 11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.853 3.186 11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 59 85.291 3.340 10.206 1.00 0.00 H new ATOM 929 N SER A 60 89.031 4.717 9.335 1.00 0.00 N ATOM 930 CA SER A 60 89.365 5.114 7.972 1.00 0.00 C ATOM 931 C SER A 60 88.214 5.880 7.328 1.00 0.00 C ATOM 932 O SER A 60 88.288 7.096 7.150 1.00 0.00 O ATOM 933 CB SER A 60 89.708 3.883 7.131 1.00 0.00 C ATOM 934 OG SER A 60 88.636 2.955 7.124 1.00 0.00 O ATOM 0 H SER A 60 88.815 3.726 9.445 1.00 0.00 H new ATOM 0 HA SER A 60 90.234 5.771 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 60 89.935 4.188 6.110 1.00 0.00 H new ATOM 0 HB3 SER A 60 90.604 3.406 7.528 1.00 0.00 H new ATOM 0 HG SER A 60 88.879 2.178 6.578 1.00 0.00 H new ATOM 940 N THR A 61 87.151 5.161 6.981 1.00 0.00 N ATOM 941 CA THR A 61 85.986 5.775 6.356 1.00 0.00 C ATOM 942 C THR A 61 85.362 6.829 7.264 1.00 0.00 C ATOM 943 O THR A 61 85.277 6.645 8.478 1.00 0.00 O ATOM 944 CB THR A 61 84.919 4.722 6.004 1.00 0.00 C ATOM 945 OG1 THR A 61 83.792 5.354 5.385 1.00 0.00 O ATOM 946 CG2 THR A 61 84.464 3.974 7.248 1.00 0.00 C ATOM 0 H THR A 61 87.073 4.154 7.122 1.00 0.00 H new ATOM 0 HA THR A 61 86.335 6.251 5.440 1.00 0.00 H new ATOM 0 HB THR A 61 85.362 4.007 5.311 1.00 0.00 H new ATOM 0 HG1 THR A 61 83.566 4.882 4.556 1.00 0.00 H new ATOM 0 HG21 THR A 61 83.710 3.236 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 61 85.317 3.470 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 61 84.038 4.680 7.961 1.00 0.00 H new ATOM 954 N LEU A 62 84.926 7.933 6.667 1.00 0.00 N ATOM 955 CA LEU A 62 84.309 9.018 7.421 1.00 0.00 C ATOM 956 C LEU A 62 82.821 9.121 7.102 1.00 0.00 C ATOM 957 O LEU A 62 82.433 9.650 6.060 1.00 0.00 O ATOM 958 CB LEU A 62 85.002 10.346 7.108 1.00 0.00 C ATOM 959 CG LEU A 62 85.388 10.546 5.641 1.00 0.00 C ATOM 960 CD1 LEU A 62 85.287 12.015 5.259 1.00 0.00 C ATOM 961 CD2 LEU A 62 86.793 10.021 5.386 1.00 0.00 C ATOM 0 H LEU A 62 84.989 8.100 5.663 1.00 0.00 H new ATOM 0 HA LEU A 62 84.423 8.800 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 62 84.344 11.161 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 62 85.902 10.421 7.718 1.00 0.00 H new ATOM 0 HG LEU A 62 84.692 9.982 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 62 85.565 12.139 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 62 84.263 12.360 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 62 85.960 12.601 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 62 87.053 10.171 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 62 87.502 10.558 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 62 86.832 8.957 5.621 1.00 0.00 H new ATOM 973 N SER A 63 81.992 8.611 8.007 1.00 0.00 N ATOM 974 CA SER A 63 80.546 8.646 7.823 1.00 0.00 C ATOM 975 C SER A 63 79.838 8.940 9.142 1.00 0.00 C ATOM 976 O SER A 63 79.643 8.047 9.966 1.00 0.00 O ATOM 977 CB SER A 63 80.052 7.315 7.253 1.00 0.00 C ATOM 978 OG SER A 63 78.653 7.343 7.028 1.00 0.00 O ATOM 0 H SER A 63 82.297 8.169 8.874 1.00 0.00 H new ATOM 0 HA SER A 63 80.313 9.445 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 63 80.570 7.102 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 63 80.296 6.507 7.943 1.00 0.00 H new ATOM 0 HG SER A 63 78.469 7.142 6.087 1.00 0.00 H new ATOM 984 N HIS A 64 79.456 10.198 9.335 1.00 0.00 N ATOM 985 CA HIS A 64 78.773 10.609 10.555 1.00 0.00 C ATOM 986 C HIS A 64 77.326 10.128 10.561 1.00 0.00 C ATOM 987 O HIS A 64 76.396 10.915 10.383 1.00 0.00 O ATOM 988 CB HIS A 64 78.817 12.131 10.704 1.00 0.00 C ATOM 989 CG HIS A 64 78.197 12.627 11.974 1.00 0.00 C ATOM 990 ND1 HIS A 64 77.295 13.669 12.014 1.00 0.00 N ATOM 991 CD2 HIS A 64 78.353 12.215 13.255 1.00 0.00 C ATOM 992 CE1 HIS A 64 76.923 13.879 13.265 1.00 0.00 C ATOM 993 NE2 HIS A 64 77.550 13.010 14.037 1.00 0.00 N ATOM 0 H HIS A 64 79.608 10.950 8.662 1.00 0.00 H new ATOM 0 HA HIS A 64 79.291 10.153 11.399 1.00 0.00 H new ATOM 0 HB2 HIS A 64 79.855 12.462 10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 64 78.303 12.586 9.857 1.00 0.00 H new ATOM 0 HD2 HIS A 64 78.989 11.412 13.597 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.225 14.633 13.599 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.454 12.940 15.050 1.00 0.00 H new ATOM 1001 N SER A 65 77.146 8.828 10.764 1.00 0.00 N ATOM 1002 CA SER A 65 75.815 8.232 10.798 1.00 0.00 C ATOM 1003 C SER A 65 75.024 8.579 9.538 1.00 0.00 C ATOM 1004 O SER A 65 73.965 9.202 9.608 1.00 0.00 O ATOM 1005 CB SER A 65 75.055 8.704 12.040 1.00 0.00 C ATOM 1006 OG SER A 65 74.137 7.720 12.482 1.00 0.00 O ATOM 0 H SER A 65 77.907 8.165 10.908 1.00 0.00 H new ATOM 0 HA SER A 65 75.932 7.149 10.840 1.00 0.00 H new ATOM 0 HB2 SER A 65 75.762 8.931 12.838 1.00 0.00 H new ATOM 0 HB3 SER A 65 74.522 9.628 11.815 1.00 0.00 H new ATOM 0 HG SER A 65 73.666 8.046 13.277 1.00 0.00 H new ATOM 1012 N TRP A 66 75.546 8.170 8.386 1.00 0.00 N ATOM 1013 CA TRP A 66 74.887 8.438 7.114 1.00 0.00 C ATOM 1014 C TRP A 66 75.231 7.366 6.084 1.00 0.00 C ATOM 1015 O TRP A 66 76.403 7.113 5.806 1.00 0.00 O ATOM 1016 CB TRP A 66 75.288 9.817 6.587 1.00 0.00 C ATOM 1017 CG TRP A 66 74.169 10.546 5.906 1.00 0.00 C ATOM 1018 CD1 TRP A 66 72.830 10.394 6.134 1.00 0.00 C ATOM 1019 CD2 TRP A 66 74.291 11.544 4.886 1.00 0.00 C ATOM 1020 NE1 TRP A 66 72.114 11.234 5.317 1.00 0.00 N ATOM 1021 CE2 TRP A 66 72.988 11.950 4.542 1.00 0.00 C ATOM 1022 CE3 TRP A 66 75.375 12.133 4.230 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 72.741 12.919 3.572 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 75.130 13.094 3.267 1.00 0.00 C ATOM 1025 CH2 TRP A 66 73.822 13.479 2.946 1.00 0.00 C ATOM 0 H TRP A 66 76.422 7.653 8.308 1.00 0.00 H new ATOM 0 HA TRP A 66 73.810 8.421 7.282 1.00 0.00 H new ATOM 0 HB2 TRP A 66 75.653 10.422 7.417 1.00 0.00 H new ATOM 0 HB3 TRP A 66 76.116 9.703 5.887 1.00 0.00 H new ATOM 0 HD1 TRP A 66 72.398 9.713 6.852 1.00 0.00 H new ATOM 0 HE1 TRP A 66 71.097 11.312 5.291 1.00 0.00 H new ATOM 0 HE3 TRP A 66 76.387 11.842 4.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 71.733 13.218 3.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 75.961 13.556 2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 66 73.663 14.233 2.189 1.00 0.00 H new ATOM 1036 N SER A 67 74.202 6.740 5.523 1.00 0.00 N ATOM 1037 CA SER A 67 74.394 5.695 4.524 1.00 0.00 C ATOM 1038 C SER A 67 75.179 4.525 5.105 1.00 0.00 C ATOM 1039 O SER A 67 75.666 4.589 6.234 1.00 0.00 O ATOM 1040 CB SER A 67 75.121 6.257 3.300 1.00 0.00 C ATOM 1041 OG SER A 67 75.140 5.314 2.241 1.00 0.00 O ATOM 0 H SER A 67 73.226 6.938 5.743 1.00 0.00 H new ATOM 0 HA SER A 67 73.412 5.333 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 67 74.629 7.171 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 67 76.142 6.525 3.571 1.00 0.00 H new ATOM 0 HG SER A 67 75.608 5.697 1.470 1.00 0.00 H new ATOM 1047 N GLN A 68 75.298 3.454 4.325 1.00 0.00 N ATOM 1048 CA GLN A 68 76.022 2.267 4.763 1.00 0.00 C ATOM 1049 C GLN A 68 77.371 2.160 4.058 1.00 0.00 C ATOM 1050 O GLN A 68 77.498 1.481 3.038 1.00 0.00 O ATOM 1051 CB GLN A 68 75.192 1.009 4.495 1.00 0.00 C ATOM 1052 CG GLN A 68 74.566 0.977 3.111 1.00 0.00 C ATOM 1053 CD GLN A 68 73.194 1.621 3.076 1.00 0.00 C ATOM 1054 OE1 GLN A 68 72.503 1.694 4.092 1.00 0.00 O ATOM 1055 NE2 GLN A 68 72.792 2.092 1.901 1.00 0.00 N ATOM 0 H GLN A 68 74.902 3.385 3.387 1.00 0.00 H new ATOM 0 HA GLN A 68 76.199 2.356 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 68 75.827 0.132 4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 68 74.403 0.938 5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 68 75.222 1.490 2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 68 74.486 -0.057 2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 68 73.398 2.010 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 68 71.878 2.536 1.815 1.00 0.00 H new ATOM 1064 N VAL A 69 78.376 2.835 4.607 1.00 0.00 N ATOM 1065 CA VAL A 69 79.716 2.815 4.032 1.00 0.00 C ATOM 1066 C VAL A 69 80.402 1.474 4.273 1.00 0.00 C ATOM 1067 O VAL A 69 81.319 1.096 3.544 1.00 0.00 O ATOM 1068 CB VAL A 69 80.595 3.938 4.614 1.00 0.00 C ATOM 1069 CG1 VAL A 69 80.184 5.287 4.045 1.00 0.00 C ATOM 1070 CG2 VAL A 69 80.518 3.945 6.133 1.00 0.00 C ATOM 0 H VAL A 69 78.288 3.403 5.450 1.00 0.00 H new ATOM 0 HA VAL A 69 79.599 2.972 2.960 1.00 0.00 H new ATOM 0 HB VAL A 69 81.630 3.749 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 69 80.816 6.068 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 69 80.298 5.275 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 69 79.143 5.487 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 69 81.146 4.745 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 69 79.486 4.107 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 69 80.867 2.987 6.519 1.00 0.00 H new ATOM 1080 N VAL A 70 79.957 0.757 5.301 1.00 0.00 N ATOM 1081 CA VAL A 70 80.531 -0.541 5.633 1.00 0.00 C ATOM 1082 C VAL A 70 80.122 -1.605 4.618 1.00 0.00 C ATOM 1083 O VAL A 70 80.820 -2.601 4.433 1.00 0.00 O ATOM 1084 CB VAL A 70 80.104 -1.000 7.040 1.00 0.00 C ATOM 1085 CG1 VAL A 70 80.695 -0.088 8.103 1.00 0.00 C ATOM 1086 CG2 VAL A 70 78.587 -1.045 7.149 1.00 0.00 C ATOM 0 H VAL A 70 79.201 1.054 5.918 1.00 0.00 H new ATOM 0 HA VAL A 70 81.614 -0.420 5.609 1.00 0.00 H new ATOM 0 HB VAL A 70 80.488 -2.007 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 70 80.382 -0.429 9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 70 81.783 -0.112 8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 70 80.345 0.932 7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 70 78.304 -1.371 8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 70 78.179 -0.052 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 70 78.190 -1.744 6.413 1.00 0.00 H new ATOM 1096 N ASP A 71 78.986 -1.386 3.962 1.00 0.00 N ATOM 1097 CA ASP A 71 78.486 -2.327 2.965 1.00 0.00 C ATOM 1098 C ASP A 71 79.338 -2.286 1.701 1.00 0.00 C ATOM 1099 O ASP A 71 79.663 -3.325 1.125 1.00 0.00 O ATOM 1100 CB ASP A 71 77.029 -2.013 2.624 1.00 0.00 C ATOM 1101 CG ASP A 71 76.062 -2.567 3.652 1.00 0.00 C ATOM 1102 OD1 ASP A 71 76.466 -2.721 4.823 1.00 0.00 O ATOM 1103 OD2 ASP A 71 74.902 -2.848 3.285 1.00 0.00 O ATOM 0 H ASP A 71 78.395 -0.566 4.103 1.00 0.00 H new ATOM 0 HA ASP A 71 78.545 -3.330 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.900 -0.933 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 71 76.791 -2.428 1.645 1.00 0.00 H new ATOM 1108 N VAL A 72 79.695 -1.079 1.273 1.00 0.00 N ATOM 1109 CA VAL A 72 80.510 -0.903 0.077 1.00 0.00 C ATOM 1110 C VAL A 72 81.921 -1.445 0.282 1.00 0.00 C ATOM 1111 O VAL A 72 82.611 -1.786 -0.678 1.00 0.00 O ATOM 1112 CB VAL A 72 80.596 0.580 -0.331 1.00 0.00 C ATOM 1113 CG1 VAL A 72 79.248 1.076 -0.829 1.00 0.00 C ATOM 1114 CG2 VAL A 72 81.087 1.425 0.834 1.00 0.00 C ATOM 0 H VAL A 72 79.433 -0.209 1.737 1.00 0.00 H new ATOM 0 HA VAL A 72 80.023 -1.465 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 72 81.314 0.674 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 72 79.329 2.125 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 72 78.941 0.489 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 72 78.506 0.970 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 72 81.142 2.470 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 72 80.395 1.328 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 72 82.076 1.084 1.139 1.00 0.00 H new ATOM 1124 N SER A 73 82.344 -1.524 1.541 1.00 0.00 N ATOM 1125 CA SER A 73 83.674 -2.026 1.872 1.00 0.00 C ATOM 1126 C SER A 73 83.878 -3.441 1.334 1.00 0.00 C ATOM 1127 O SER A 73 85.010 -3.884 1.144 1.00 0.00 O ATOM 1128 CB SER A 73 83.883 -2.009 3.386 1.00 0.00 C ATOM 1129 OG SER A 73 85.188 -1.564 3.717 1.00 0.00 O ATOM 0 H SER A 73 81.785 -1.247 2.348 1.00 0.00 H new ATOM 0 HA SER A 73 84.408 -1.372 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 73 83.144 -1.356 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 73 83.723 -3.009 3.789 1.00 0.00 H new ATOM 0 HG SER A 73 85.295 -1.561 4.691 1.00 0.00 H new ATOM 1135 N GLU A 74 82.777 -4.148 1.091 1.00 0.00 N ATOM 1136 CA GLU A 74 82.837 -5.512 0.578 1.00 0.00 C ATOM 1137 C GLU A 74 83.733 -5.602 -0.656 1.00 0.00 C ATOM 1138 O GLU A 74 84.315 -6.650 -0.936 1.00 0.00 O ATOM 1139 CB GLU A 74 81.432 -6.012 0.234 1.00 0.00 C ATOM 1140 CG GLU A 74 80.498 -6.072 1.433 1.00 0.00 C ATOM 1141 CD GLU A 74 79.039 -6.163 1.031 1.00 0.00 C ATOM 1142 OE1 GLU A 74 78.648 -5.485 0.057 1.00 0.00 O ATOM 1143 OE2 GLU A 74 78.287 -6.912 1.689 1.00 0.00 O ATOM 0 H GLU A 74 81.831 -3.797 1.242 1.00 0.00 H new ATOM 0 HA GLU A 74 83.264 -6.142 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 74 80.998 -5.358 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 74 81.507 -7.005 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 74 80.756 -6.935 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 74 80.647 -5.185 2.050 1.00 0.00 H new ATOM 1150 N VAL A 75 83.841 -4.498 -1.389 1.00 0.00 N ATOM 1151 CA VAL A 75 84.668 -4.457 -2.590 1.00 0.00 C ATOM 1152 C VAL A 75 86.119 -4.811 -2.274 1.00 0.00 C ATOM 1153 O VAL A 75 86.842 -5.324 -3.129 1.00 0.00 O ATOM 1154 CB VAL A 75 84.619 -3.068 -3.258 1.00 0.00 C ATOM 1155 CG1 VAL A 75 85.153 -2.000 -2.316 1.00 0.00 C ATOM 1156 CG2 VAL A 75 85.396 -3.074 -4.567 1.00 0.00 C ATOM 0 H VAL A 75 83.367 -3.621 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 75 84.262 -5.197 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 75 83.579 -2.832 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 75 85.110 -1.028 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 75 84.546 -1.977 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 75 86.186 -2.229 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 75 85.349 -2.085 -5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 75 86.436 -3.335 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 75 84.960 -3.807 -5.246 1.00 0.00 H new ATOM 1166 N LEU A 76 86.537 -4.538 -1.042 1.00 0.00 N ATOM 1167 CA LEU A 76 87.901 -4.831 -0.616 1.00 0.00 C ATOM 1168 C LEU A 76 88.053 -6.309 -0.273 1.00 0.00 C ATOM 1169 O LEU A 76 89.123 -6.891 -0.447 1.00 0.00 O ATOM 1170 CB LEU A 76 88.278 -3.975 0.596 1.00 0.00 C ATOM 1171 CG LEU A 76 87.789 -2.525 0.548 1.00 0.00 C ATOM 1172 CD1 LEU A 76 87.719 -1.941 1.950 1.00 0.00 C ATOM 1173 CD2 LEU A 76 88.699 -1.686 -0.337 1.00 0.00 C ATOM 0 H LEU A 76 85.952 -4.115 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 76 88.572 -4.593 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 76 87.877 -4.447 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 76 89.363 -3.972 0.695 1.00 0.00 H new ATOM 0 HG LEU A 76 86.787 -2.512 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 76 87.370 -0.910 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 76 87.028 -2.528 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 76 88.709 -1.966 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.337 -0.658 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 76 89.713 -1.705 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.700 -2.093 -1.348 1.00 0.00 H new ATOM 1185 N ARG A 77 86.974 -6.911 0.218 1.00 0.00 N ATOM 1186 CA ARG A 77 86.988 -8.321 0.584 1.00 0.00 C ATOM 1187 C ARG A 77 87.187 -9.200 -0.647 1.00 0.00 C ATOM 1188 O ARG A 77 88.104 -10.020 -0.696 1.00 0.00 O ATOM 1189 CB ARG A 77 85.685 -8.698 1.292 1.00 0.00 C ATOM 1190 CG ARG A 77 85.786 -8.664 2.808 1.00 0.00 C ATOM 1191 CD ARG A 77 85.167 -7.400 3.381 1.00 0.00 C ATOM 1192 NE ARG A 77 83.776 -7.603 3.778 1.00 0.00 N ATOM 1193 CZ ARG A 77 83.121 -6.806 4.618 1.00 0.00 C ATOM 1194 NH1 ARG A 77 83.725 -5.750 5.150 1.00 0.00 N ATOM 1195 NH2 ARG A 77 81.857 -7.065 4.928 1.00 0.00 N ATOM 0 H ARG A 77 86.080 -6.444 0.371 1.00 0.00 H new ATOM 0 HA ARG A 77 87.823 -8.487 1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 77 84.897 -8.016 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 77 85.387 -9.698 0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 77 85.285 -9.537 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 77 86.833 -8.724 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 77 85.746 -7.072 4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 77 85.220 -6.602 2.640 1.00 0.00 H new ATOM 0 HE ARG A 77 83.278 -8.403 3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 77 84.696 -5.546 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 77 83.218 -5.143 5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 77 81.388 -7.875 4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 77 81.354 -6.454 5.572 1.00 0.00 H new ATOM 1209 N ASP A 78 86.321 -9.024 -1.640 1.00 0.00 N ATOM 1210 CA ASP A 78 86.404 -9.800 -2.872 1.00 0.00 C ATOM 1211 C ASP A 78 87.730 -9.550 -3.582 1.00 0.00 C ATOM 1212 O ASP A 78 88.259 -10.430 -4.260 1.00 0.00 O ATOM 1213 CB ASP A 78 85.240 -9.449 -3.801 1.00 0.00 C ATOM 1214 CG ASP A 78 84.018 -10.308 -3.545 1.00 0.00 C ATOM 1215 OD1 ASP A 78 83.897 -10.852 -2.427 1.00 0.00 O ATOM 1216 OD2 ASP A 78 83.179 -10.435 -4.462 1.00 0.00 O ATOM 0 H ASP A 78 85.554 -8.352 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 78 86.345 -10.857 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 78 84.977 -8.399 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 78 85.556 -9.571 -4.837 1.00 0.00 H new ATOM 1221 N GLY A 79 88.262 -8.342 -3.421 1.00 0.00 N ATOM 1222 CA GLY A 79 89.522 -7.996 -4.052 1.00 0.00 C ATOM 1223 C GLY A 79 89.339 -7.474 -5.463 1.00 0.00 C ATOM 1224 O GLY A 79 90.052 -7.880 -6.381 1.00 0.00 O ATOM 0 H GLY A 79 87.843 -7.597 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.030 -7.241 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 79 90.167 -8.874 -4.074 1.00 0.00 H new ATOM 1228 N THR A 80 88.379 -6.572 -5.636 1.00 0.00 N ATOM 1229 CA THR A 80 88.102 -5.989 -6.944 1.00 0.00 C ATOM 1230 C THR A 80 88.334 -4.479 -6.932 1.00 0.00 C ATOM 1231 O THR A 80 87.514 -3.726 -6.407 1.00 0.00 O ATOM 1232 CB THR A 80 86.654 -6.269 -7.388 1.00 0.00 C ATOM 1233 OG1 THR A 80 86.224 -7.540 -6.884 1.00 0.00 O ATOM 1234 CG2 THR A 80 86.541 -6.255 -8.904 1.00 0.00 C ATOM 0 H THR A 80 87.779 -6.228 -4.886 1.00 0.00 H new ATOM 0 HA THR A 80 88.788 -6.456 -7.651 1.00 0.00 H new ATOM 0 HB THR A 80 86.015 -5.483 -6.985 1.00 0.00 H new ATOM 0 HG1 THR A 80 85.302 -7.710 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.509 -6.455 -9.194 1.00 0.00 H new ATOM 0 HG22 THR A 80 86.841 -5.278 -9.282 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.191 -7.022 -9.324 1.00 0.00 H new ATOM 1242 N PRO A 81 89.461 -4.016 -7.504 1.00 0.00 N ATOM 1243 CA PRO A 81 89.788 -2.586 -7.553 1.00 0.00 C ATOM 1244 C PRO A 81 88.711 -1.768 -8.258 1.00 0.00 C ATOM 1245 O PRO A 81 88.376 -2.027 -9.414 1.00 0.00 O ATOM 1246 CB PRO A 81 91.098 -2.539 -8.349 1.00 0.00 C ATOM 1247 CG PRO A 81 91.674 -3.907 -8.229 1.00 0.00 C ATOM 1248 CD PRO A 81 90.502 -4.842 -8.139 1.00 0.00 C ATOM 0 HA PRO A 81 89.867 -2.157 -6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 81 90.917 -2.278 -9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 81 91.778 -1.788 -7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 81 92.298 -4.145 -9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 81 92.307 -3.988 -7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 81 90.192 -5.195 -9.123 1.00 0.00 H new ATOM 0 HD3 PRO A 81 90.735 -5.724 -7.543 1.00 0.00 H new ATOM 1256 N ARG A 82 88.172 -0.779 -7.553 1.00 0.00 N ATOM 1257 CA ARG A 82 87.135 0.084 -8.106 1.00 0.00 C ATOM 1258 C ARG A 82 87.220 1.478 -7.495 1.00 0.00 C ATOM 1259 O ARG A 82 87.638 1.634 -6.348 1.00 0.00 O ATOM 1260 CB ARG A 82 85.750 -0.517 -7.853 1.00 0.00 C ATOM 1261 CG ARG A 82 85.232 -1.359 -9.008 1.00 0.00 C ATOM 1262 CD ARG A 82 85.533 -2.837 -8.802 1.00 0.00 C ATOM 1263 NE ARG A 82 84.319 -3.649 -8.811 1.00 0.00 N ATOM 1264 CZ ARG A 82 83.679 -4.016 -9.920 1.00 0.00 C ATOM 1265 NH1 ARG A 82 84.136 -3.644 -11.109 1.00 0.00 N ATOM 1266 NH2 ARG A 82 82.583 -4.755 -9.838 1.00 0.00 N ATOM 0 H ARG A 82 88.437 -0.555 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 82 87.292 0.164 -9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.789 -1.133 -6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.043 0.289 -7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 82 84.156 -1.217 -9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.687 -1.021 -9.939 1.00 0.00 H new ATOM 0 HD2 ARG A 82 86.206 -3.183 -9.587 1.00 0.00 H new ATOM 0 HD3 ARG A 82 86.053 -2.972 -7.853 1.00 0.00 H new ATOM 0 HE ARG A 82 83.939 -3.953 -7.915 1.00 0.00 H new ATOM 0 HH11 ARG A 82 84.980 -3.075 -11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 82 83.643 -3.927 -11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 82 82.229 -5.043 -8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 82 82.093 -5.036 -10.687 1.00 0.00 H new ATOM 1280 N ARG A 83 86.826 2.492 -8.261 1.00 0.00 N ATOM 1281 CA ARG A 83 86.872 3.867 -7.774 1.00 0.00 C ATOM 1282 C ARG A 83 85.509 4.544 -7.865 1.00 0.00 C ATOM 1283 O ARG A 83 85.107 5.022 -8.927 1.00 0.00 O ATOM 1284 CB ARG A 83 87.905 4.671 -8.566 1.00 0.00 C ATOM 1285 CG ARG A 83 89.282 4.028 -8.597 1.00 0.00 C ATOM 1286 CD ARG A 83 90.369 5.051 -8.887 1.00 0.00 C ATOM 1287 NE ARG A 83 90.898 4.920 -10.243 1.00 0.00 N ATOM 1288 CZ ARG A 83 92.081 5.393 -10.627 1.00 0.00 C ATOM 1289 NH1 ARG A 83 92.861 6.033 -9.764 1.00 0.00 N ATOM 1290 NH2 ARG A 83 92.484 5.228 -11.879 1.00 0.00 N ATOM 0 H ARG A 83 86.474 2.389 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 83 87.161 3.835 -6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 83 87.549 4.797 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 83 87.988 5.667 -8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 83 89.481 3.546 -7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 83 89.303 3.248 -9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 83 89.967 6.055 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 83 91.180 4.931 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 83 90.326 4.437 -10.936 1.00 0.00 H new ATOM 0 HH11 ARG A 83 92.555 6.165 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 83 93.767 6.393 -10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 83 91.888 4.739 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 83 93.391 5.590 -12.175 1.00 0.00 H new ATOM 1304 N ASP A 84 84.804 4.577 -6.740 1.00 0.00 N ATOM 1305 CA ASP A 84 83.493 5.212 -6.661 1.00 0.00 C ATOM 1306 C ASP A 84 83.252 5.722 -5.249 1.00 0.00 C ATOM 1307 O ASP A 84 82.865 4.956 -4.366 1.00 0.00 O ATOM 1308 CB ASP A 84 82.401 4.220 -7.044 1.00 0.00 C ATOM 1309 CG ASP A 84 81.979 4.353 -8.494 1.00 0.00 C ATOM 1310 OD1 ASP A 84 81.161 5.248 -8.795 1.00 0.00 O ATOM 1311 OD2 ASP A 84 82.465 3.562 -9.330 1.00 0.00 O ATOM 0 H ASP A 84 85.122 4.167 -5.862 1.00 0.00 H new ATOM 0 HA ASP A 84 83.466 6.050 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 84 82.757 3.206 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 84 81.534 4.373 -6.401 1.00 0.00 H new ATOM 1316 N GLU A 85 83.478 7.011 -5.031 1.00 0.00 N ATOM 1317 CA GLU A 85 83.300 7.586 -3.704 1.00 0.00 C ATOM 1318 C GLU A 85 82.921 9.061 -3.773 1.00 0.00 C ATOM 1319 O GLU A 85 83.300 9.767 -4.708 1.00 0.00 O ATOM 1320 CB GLU A 85 84.584 7.413 -2.883 1.00 0.00 C ATOM 1321 CG GLU A 85 85.475 6.271 -3.360 1.00 0.00 C ATOM 1322 CD GLU A 85 86.919 6.438 -2.935 1.00 0.00 C ATOM 1323 OE1 GLU A 85 87.200 6.318 -1.724 1.00 0.00 O ATOM 1324 OE2 GLU A 85 87.769 6.688 -3.814 1.00 0.00 O ATOM 0 H GLU A 85 83.781 7.672 -5.746 1.00 0.00 H new ATOM 0 HA GLU A 85 82.481 7.055 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 85 85.153 8.342 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 85 84.316 7.240 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 85 85.092 5.329 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 85 85.426 6.207 -4.447 1.00 0.00 H new ATOM 1331 N GLU A 86 82.171 9.517 -2.777 1.00 0.00 N ATOM 1332 CA GLU A 86 81.754 10.913 -2.710 1.00 0.00 C ATOM 1333 C GLU A 86 81.716 11.407 -1.289 1.00 0.00 C ATOM 1334 O GLU A 86 80.747 11.233 -0.550 1.00 0.00 O ATOM 1335 CB GLU A 86 80.381 11.091 -3.359 1.00 0.00 C ATOM 1336 CG GLU A 86 79.844 12.512 -3.270 1.00 0.00 C ATOM 1337 CD GLU A 86 79.125 12.945 -4.532 1.00 0.00 C ATOM 1338 OE1 GLU A 86 78.680 12.061 -5.295 1.00 0.00 O ATOM 1339 OE2 GLU A 86 79.003 14.167 -4.756 1.00 0.00 O ATOM 0 H GLU A 86 81.839 8.940 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 86 82.489 11.504 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 86 80.444 10.800 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 86 79.673 10.413 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 86 79.161 12.586 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 86 80.669 13.196 -3.074 1.00 0.00 H new ATOM 1346 N ILE A 87 82.815 12.025 -0.947 1.00 0.00 N ATOM 1347 CA ILE A 87 82.985 12.711 0.295 1.00 0.00 C ATOM 1348 C ILE A 87 83.350 14.076 -0.190 1.00 0.00 C ATOM 1349 O ILE A 87 84.509 14.345 -0.487 1.00 0.00 O ATOM 1350 CB ILE A 87 84.121 12.113 1.158 1.00 0.00 C ATOM 1351 CG1 ILE A 87 83.634 10.850 1.870 1.00 0.00 C ATOM 1352 CG2 ILE A 87 84.642 13.133 2.167 1.00 0.00 C ATOM 1353 CD1 ILE A 87 83.997 9.572 1.143 1.00 0.00 C ATOM 0 H ILE A 87 83.639 12.063 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 87 82.110 12.663 0.943 1.00 0.00 H new ATOM 0 HB ILE A 87 84.947 11.847 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 87 84.058 10.821 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 87 82.551 10.900 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 87 85.440 12.684 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 87 85.029 14.004 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 87 83.830 13.441 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.621 8.716 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.551 9.580 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 87 85.081 9.500 1.053 1.00 0.00 H new ATOM 1365 N THR A 88 82.367 14.934 -0.295 1.00 0.00 N ATOM 1366 CA THR A 88 82.613 16.229 -0.864 1.00 0.00 C ATOM 1367 C THR A 88 82.582 17.331 0.191 1.00 0.00 C ATOM 1368 O THR A 88 81.534 17.915 0.467 1.00 0.00 O ATOM 1369 CB THR A 88 81.627 16.526 -2.015 1.00 0.00 C ATOM 1370 OG1 THR A 88 81.235 17.903 -2.007 1.00 0.00 O ATOM 1371 CG2 THR A 88 80.395 15.640 -1.936 1.00 0.00 C ATOM 0 H THR A 88 81.406 14.762 0.001 1.00 0.00 H new ATOM 0 HA THR A 88 83.621 16.214 -1.280 1.00 0.00 H new ATOM 0 HB THR A 88 82.146 16.309 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 88 80.794 18.113 -1.157 1.00 0.00 H new ATOM 0 HG21 THR A 88 79.723 15.876 -2.761 1.00 0.00 H new ATOM 0 HG22 THR A 88 80.694 14.594 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 88 79.882 15.813 -0.990 1.00 0.00 H new ATOM 1379 N ILE A 89 83.745 17.602 0.776 1.00 0.00 N ATOM 1380 CA ILE A 89 83.875 18.619 1.817 1.00 0.00 C ATOM 1381 C ILE A 89 83.244 19.948 1.404 1.00 0.00 C ATOM 1382 O ILE A 89 82.601 20.615 2.214 1.00 0.00 O ATOM 1383 CB ILE A 89 85.355 18.853 2.178 1.00 0.00 C ATOM 1384 CG1 ILE A 89 86.137 19.314 0.945 1.00 0.00 C ATOM 1385 CG2 ILE A 89 85.964 17.583 2.756 1.00 0.00 C ATOM 1386 CD1 ILE A 89 87.609 19.550 1.214 1.00 0.00 C ATOM 0 H ILE A 89 84.618 17.128 0.545 1.00 0.00 H new ATOM 0 HA ILE A 89 83.341 18.240 2.689 1.00 0.00 H new ATOM 0 HB ILE A 89 85.412 19.637 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 89 86.035 18.565 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 89 85.693 20.235 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 89 87.010 17.762 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 89 85.420 17.295 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 89 85.900 16.781 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 89 88.099 19.874 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 89 87.720 20.321 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 89 88.068 18.625 1.563 1.00 0.00 H new ATOM 1398 N LYS A 90 83.430 20.327 0.145 1.00 0.00 N ATOM 1399 CA LYS A 90 82.878 21.580 -0.362 1.00 0.00 C ATOM 1400 C LYS A 90 81.850 21.322 -1.456 1.00 0.00 C ATOM 1401 O LYS A 90 80.750 21.873 -1.434 1.00 0.00 O ATOM 1402 CB LYS A 90 83.998 22.471 -0.902 1.00 0.00 C ATOM 1403 CG LYS A 90 85.118 22.713 0.096 1.00 0.00 C ATOM 1404 CD LYS A 90 85.259 24.188 0.436 1.00 0.00 C ATOM 1405 CE LYS A 90 85.836 24.386 1.828 1.00 0.00 C ATOM 1406 NZ LYS A 90 87.310 24.178 1.853 1.00 0.00 N ATOM 0 H LYS A 90 83.957 19.788 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 90 82.381 22.088 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 90 84.415 22.013 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 90 83.576 23.430 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 90 84.923 22.147 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 90 86.057 22.343 -0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 90 85.903 24.672 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 90 84.284 24.672 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 90 85.606 25.393 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 90 85.360 23.692 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 87.665 24.322 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 87.529 23.209 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 87.767 24.857 1.212 1.00 0.00 H new ATOM 1420 N ASP A 91 82.218 20.478 -2.412 1.00 0.00 N ATOM 1421 CA ASP A 91 81.335 20.141 -3.521 1.00 0.00 C ATOM 1422 C ASP A 91 81.959 19.054 -4.388 1.00 0.00 C ATOM 1423 O ASP A 91 81.266 18.159 -4.873 1.00 0.00 O ATOM 1424 CB ASP A 91 81.040 21.383 -4.364 1.00 0.00 C ATOM 1425 CG ASP A 91 79.587 21.456 -4.793 1.00 0.00 C ATOM 1426 OD1 ASP A 91 78.914 20.404 -4.794 1.00 0.00 O ATOM 1427 OD2 ASP A 91 79.122 22.566 -5.127 1.00 0.00 O ATOM 0 H ASP A 91 83.125 20.013 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 91 80.397 19.765 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 91 81.293 22.276 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 91 81.678 21.379 -5.248 1.00 0.00 H new ATOM 1432 N ARG A 92 83.272 19.139 -4.579 1.00 0.00 N ATOM 1433 CA ARG A 92 83.988 18.157 -5.380 1.00 0.00 C ATOM 1434 C ARG A 92 84.164 16.856 -4.605 1.00 0.00 C ATOM 1435 O ARG A 92 85.050 16.740 -3.758 1.00 0.00 O ATOM 1436 CB ARG A 92 85.353 18.704 -5.804 1.00 0.00 C ATOM 1437 CG ARG A 92 85.270 19.985 -6.619 1.00 0.00 C ATOM 1438 CD ARG A 92 85.429 19.714 -8.107 1.00 0.00 C ATOM 1439 NE ARG A 92 84.145 19.706 -8.804 1.00 0.00 N ATOM 1440 CZ ARG A 92 83.383 18.622 -8.954 1.00 0.00 C ATOM 1441 NH1 ARG A 92 83.772 17.453 -8.460 1.00 0.00 N ATOM 1442 NH2 ARG A 92 82.229 18.710 -9.600 1.00 0.00 N ATOM 0 H ARG A 92 83.859 19.877 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 92 83.399 17.953 -6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 92 85.954 18.888 -4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 92 85.874 17.945 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 92 84.311 20.471 -6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 92 86.045 20.677 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 92 86.075 20.474 -8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 92 85.924 18.754 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 92 83.811 20.584 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 92 84.659 17.380 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 92 83.184 16.628 -8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 92 81.925 19.606 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 92 81.645 17.882 -9.716 1.00 0.00 H new ATOM 1456 N LEU A 93 83.308 15.881 -4.902 1.00 0.00 N ATOM 1457 CA LEU A 93 83.352 14.576 -4.243 1.00 0.00 C ATOM 1458 C LEU A 93 84.793 14.071 -4.108 1.00 0.00 C ATOM 1459 O LEU A 93 85.581 14.169 -5.048 1.00 0.00 O ATOM 1460 CB LEU A 93 82.527 13.565 -5.044 1.00 0.00 C ATOM 1461 CG LEU A 93 82.623 13.709 -6.567 1.00 0.00 C ATOM 1462 CD1 LEU A 93 83.171 12.436 -7.193 1.00 0.00 C ATOM 1463 CD2 LEU A 93 81.264 14.052 -7.159 1.00 0.00 C ATOM 0 H LEU A 93 82.570 15.971 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 93 82.933 14.686 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 93 82.846 12.560 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 93 81.481 13.659 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 93 83.311 14.524 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 93 83.231 12.559 -8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 93 84.165 12.234 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 93 82.510 11.602 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 93 81.353 14.150 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 93 80.554 13.259 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 93 80.910 14.993 -6.737 1.00 0.00 H new ATOM 1475 N LEU A 94 85.130 13.531 -2.939 1.00 0.00 N ATOM 1476 CA LEU A 94 86.474 13.007 -2.699 1.00 0.00 C ATOM 1477 C LEU A 94 86.500 11.493 -2.857 1.00 0.00 C ATOM 1478 O LEU A 94 85.671 10.785 -2.285 1.00 0.00 O ATOM 1479 CB LEU A 94 86.967 13.360 -1.290 1.00 0.00 C ATOM 1480 CG LEU A 94 87.049 14.854 -0.967 1.00 0.00 C ATOM 1481 CD1 LEU A 94 86.868 15.085 0.530 1.00 0.00 C ATOM 1482 CD2 LEU A 94 88.375 15.429 -1.443 1.00 0.00 C ATOM 0 H LEU A 94 84.495 13.445 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 94 87.132 13.467 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 94 86.305 12.887 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 94 87.956 12.923 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 94 86.245 15.368 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 94 86.929 16.152 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 94 85.894 14.708 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 94 87.652 14.560 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 94 88.417 16.492 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 94 89.195 14.913 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 94 88.464 15.294 -2.521 1.00 0.00 H new ATOM 1494 N LEU A 95 87.454 11.001 -3.636 1.00 0.00 N ATOM 1495 CA LEU A 95 87.597 9.569 -3.850 1.00 0.00 C ATOM 1496 C LEU A 95 88.995 9.114 -3.458 1.00 0.00 C ATOM 1497 O LEU A 95 89.976 9.421 -4.136 1.00 0.00 O ATOM 1498 CB LEU A 95 87.306 9.201 -5.307 1.00 0.00 C ATOM 1499 CG LEU A 95 87.972 10.101 -6.349 1.00 0.00 C ATOM 1500 CD1 LEU A 95 88.164 9.353 -7.660 1.00 0.00 C ATOM 1501 CD2 LEU A 95 87.149 11.362 -6.565 1.00 0.00 C ATOM 0 H LEU A 95 88.140 11.573 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 95 86.871 9.056 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 95 87.629 8.174 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 95 86.228 9.227 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 95 88.954 10.391 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 95 88.639 10.011 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 95 88.796 8.481 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 95 87.195 9.031 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 95 87.637 11.992 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 95 86.153 11.091 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 95 87.067 11.908 -5.625 1.00 0.00 H new ATOM 1513 N ILE A 96 89.074 8.379 -2.359 1.00 0.00 N ATOM 1514 CA ILE A 96 90.343 7.876 -1.858 1.00 0.00 C ATOM 1515 C ILE A 96 90.537 6.423 -2.283 1.00 0.00 C ATOM 1516 O ILE A 96 89.568 5.684 -2.455 1.00 0.00 O ATOM 1517 CB ILE A 96 90.417 7.996 -0.319 1.00 0.00 C ATOM 1518 CG1 ILE A 96 90.401 9.471 0.102 1.00 0.00 C ATOM 1519 CG2 ILE A 96 91.666 7.307 0.216 1.00 0.00 C ATOM 1520 CD1 ILE A 96 89.116 10.200 -0.244 1.00 0.00 C ATOM 0 H ILE A 96 88.267 8.116 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 96 91.142 8.481 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 96 89.544 7.501 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 96 90.562 9.532 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 96 91.236 9.983 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 96 91.698 7.404 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 96 91.643 6.251 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 96 92.552 7.773 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 96 89.185 11.236 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.961 10.173 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 96 88.277 9.715 0.255 1.00 0.00 H new ATOM 1532 N ASN A 97 91.792 6.015 -2.447 1.00 0.00 N ATOM 1533 CA ASN A 97 92.095 4.658 -2.884 1.00 0.00 C ATOM 1534 C ASN A 97 92.461 3.750 -1.716 1.00 0.00 C ATOM 1535 O ASN A 97 93.249 4.116 -0.844 1.00 0.00 O ATOM 1536 CB ASN A 97 93.239 4.676 -3.900 1.00 0.00 C ATOM 1537 CG ASN A 97 93.154 3.530 -4.889 1.00 0.00 C ATOM 1538 OD1 ASN A 97 92.510 3.640 -5.932 1.00 0.00 O ATOM 1539 ND2 ASN A 97 93.806 2.419 -4.564 1.00 0.00 N ATOM 0 H ASN A 97 92.611 6.601 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 97 91.194 4.257 -3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 97 93.225 5.622 -4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 97 94.191 4.626 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 97 93.785 1.614 -5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 97 94.328 2.371 -3.689 1.00 0.00 H new ATOM 1546 N THR A 98 91.870 2.560 -1.716 1.00 0.00 N ATOM 1547 CA THR A 98 92.118 1.568 -0.680 1.00 0.00 C ATOM 1548 C THR A 98 91.970 0.162 -1.252 1.00 0.00 C ATOM 1549 O THR A 98 90.858 -0.345 -1.400 1.00 0.00 O ATOM 1550 CB THR A 98 91.150 1.735 0.507 1.00 0.00 C ATOM 1551 OG1 THR A 98 89.826 1.352 0.119 1.00 0.00 O ATOM 1552 CG2 THR A 98 91.142 3.174 1.001 1.00 0.00 C ATOM 0 H THR A 98 91.209 2.258 -2.431 1.00 0.00 H new ATOM 0 HA THR A 98 93.136 1.718 -0.320 1.00 0.00 H new ATOM 0 HB THR A 98 91.491 1.091 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 98 89.863 0.853 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 98 90.451 3.267 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 98 92.145 3.453 1.324 1.00 0.00 H new ATOM 0 HG23 THR A 98 90.824 3.834 0.194 1.00 0.00 H new ATOM 1560 N VAL A 99 93.098 -0.461 -1.572 1.00 0.00 N ATOM 1561 CA VAL A 99 93.095 -1.803 -2.143 1.00 0.00 C ATOM 1562 C VAL A 99 93.432 -2.861 -1.096 1.00 0.00 C ATOM 1563 O VAL A 99 94.153 -2.588 -0.136 1.00 0.00 O ATOM 1564 CB VAL A 99 94.090 -1.919 -3.313 1.00 0.00 C ATOM 1565 CG1 VAL A 99 93.657 -1.036 -4.475 1.00 0.00 C ATOM 1566 CG2 VAL A 99 95.496 -1.561 -2.854 1.00 0.00 C ATOM 0 H VAL A 99 94.027 -0.059 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 99 92.085 -1.979 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 99 94.098 -2.953 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 99 94.373 -1.132 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 99 92.670 -1.346 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 99 93.617 0.003 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.186 -1.648 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.507 -0.537 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 99 95.803 -2.241 -2.059 1.00 0.00 H new ATOM 1576 N PRO A 100 92.911 -4.087 -1.272 1.00 0.00 N ATOM 1577 CA PRO A 100 93.148 -5.192 -0.355 1.00 0.00 C ATOM 1578 C PRO A 100 94.263 -6.116 -0.835 1.00 0.00 C ATOM 1579 O PRO A 100 94.096 -6.847 -1.812 1.00 0.00 O ATOM 1580 CB PRO A 100 91.807 -5.914 -0.405 1.00 0.00 C ATOM 1581 CG PRO A 100 91.360 -5.761 -1.826 1.00 0.00 C ATOM 1582 CD PRO A 100 92.002 -4.496 -2.358 1.00 0.00 C ATOM 0 HA PRO A 100 93.464 -4.867 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 100 91.910 -6.964 -0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 100 91.091 -5.472 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 100 91.660 -6.625 -2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 100 90.273 -5.696 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 100 92.543 -4.680 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 100 91.259 -3.727 -2.570 1.00 0.00 H new ATOM 1590 N VAL A 101 95.400 -6.068 -0.142 1.00 0.00 N ATOM 1591 CA VAL A 101 96.561 -6.891 -0.480 1.00 0.00 C ATOM 1592 C VAL A 101 96.873 -6.845 -1.975 1.00 0.00 C ATOM 1593 O VAL A 101 96.231 -6.117 -2.733 1.00 0.00 O ATOM 1594 CB VAL A 101 96.372 -8.359 -0.039 1.00 0.00 C ATOM 1595 CG1 VAL A 101 96.127 -8.438 1.460 1.00 0.00 C ATOM 1596 CG2 VAL A 101 95.232 -9.019 -0.804 1.00 0.00 C ATOM 0 H VAL A 101 95.542 -5.461 0.665 1.00 0.00 H new ATOM 0 HA VAL A 101 97.404 -6.468 0.067 1.00 0.00 H new ATOM 0 HB VAL A 101 97.289 -8.901 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 101 95.996 -9.480 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 101 96.980 -8.016 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 101 95.229 -7.875 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 101 95.122 -10.052 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 101 94.305 -8.477 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 101 95.452 -9.002 -1.871 1.00 0.00 H new ATOM 1606 N ARG A 102 97.869 -7.621 -2.390 1.00 0.00 N ATOM 1607 CA ARG A 102 98.267 -7.670 -3.793 1.00 0.00 C ATOM 1608 C ARG A 102 98.157 -9.090 -4.339 1.00 0.00 C ATOM 1609 O ARG A 102 98.934 -9.496 -5.203 1.00 0.00 O ATOM 1610 CB ARG A 102 99.700 -7.159 -3.957 1.00 0.00 C ATOM 1611 CG ARG A 102 99.929 -5.783 -3.355 1.00 0.00 C ATOM 1612 CD ARG A 102 101.353 -5.627 -2.851 1.00 0.00 C ATOM 1613 NE ARG A 102 102.338 -5.925 -3.889 1.00 0.00 N ATOM 1614 CZ ARG A 102 103.653 -5.911 -3.688 1.00 0.00 C ATOM 1615 NH1 ARG A 102 104.146 -5.611 -2.493 1.00 0.00 N ATOM 1616 NH2 ARG A 102 104.480 -6.198 -4.686 1.00 0.00 N ATOM 0 H ARG A 102 98.415 -8.224 -1.775 1.00 0.00 H new ATOM 0 HA ARG A 102 97.592 -7.028 -4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 102 100.385 -7.868 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 102 99.946 -7.127 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 102 99.721 -5.018 -4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 102 99.231 -5.623 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 102 101.501 -4.608 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 102 101.511 -6.290 -2.000 1.00 0.00 H new ATOM 0 HE ARG A 102 101.997 -6.157 -4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 102 103.516 -5.389 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 102 105.155 -5.602 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 102 104.107 -6.429 -5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 102 105.488 -6.187 -4.532 1.00 0.00 H new ATOM 1630 N SER A 103 97.187 -9.839 -3.829 1.00 0.00 N ATOM 1631 CA SER A 103 96.974 -11.214 -4.264 1.00 0.00 C ATOM 1632 C SER A 103 95.497 -11.471 -4.544 1.00 0.00 C ATOM 1633 O SER A 103 94.666 -10.570 -4.427 1.00 0.00 O ATOM 1634 CB SER A 103 97.482 -12.192 -3.204 1.00 0.00 C ATOM 1635 OG SER A 103 97.329 -13.534 -3.633 1.00 0.00 O ATOM 0 H SER A 103 96.535 -9.517 -3.113 1.00 0.00 H new ATOM 0 HA SER A 103 97.534 -11.368 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 103 98.533 -11.992 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 103 96.936 -12.040 -2.273 1.00 0.00 H new ATOM 0 HG SER A 103 97.729 -13.641 -4.521 1.00 0.00 H new ATOM 1641 N ASN A 104 95.176 -12.706 -4.914 1.00 0.00 N ATOM 1642 CA ASN A 104 93.798 -13.081 -5.211 1.00 0.00 C ATOM 1643 C ASN A 104 93.407 -14.353 -4.468 1.00 0.00 C ATOM 1644 O ASN A 104 94.077 -15.380 -4.577 1.00 0.00 O ATOM 1645 CB ASN A 104 93.616 -13.278 -6.717 1.00 0.00 C ATOM 1646 CG ASN A 104 92.158 -13.421 -7.108 1.00 0.00 C ATOM 1647 OD1 ASN A 104 91.420 -12.438 -7.169 1.00 0.00 O ATOM 1648 ND2 ASN A 104 91.736 -14.652 -7.376 1.00 0.00 N ATOM 0 H ASN A 104 95.851 -13.464 -5.015 1.00 0.00 H new ATOM 0 HA ASN A 104 93.147 -12.273 -4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 104 94.050 -12.430 -7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 104 94.163 -14.166 -7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 104 90.765 -14.811 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 104 92.383 -15.438 -7.313 1.00 0.00 H new ATOM 1655 N GLY A 105 92.316 -14.279 -3.712 1.00 0.00 N ATOM 1656 CA GLY A 105 91.852 -15.431 -2.961 1.00 0.00 C ATOM 1657 C GLY A 105 91.409 -15.068 -1.557 1.00 0.00 C ATOM 1658 O GLY A 105 90.259 -14.683 -1.343 1.00 0.00 O ATOM 0 H GLY A 105 91.745 -13.441 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 105 91.021 -15.896 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 105 92.650 -16.171 -2.907 1.00 0.00 H new ATOM 1662 N VAL A 106 92.322 -15.193 -0.600 1.00 0.00 N ATOM 1663 CA VAL A 106 92.019 -14.876 0.792 1.00 0.00 C ATOM 1664 C VAL A 106 92.711 -13.588 1.224 1.00 0.00 C ATOM 1665 O VAL A 106 93.938 -13.488 1.182 1.00 0.00 O ATOM 1666 CB VAL A 106 92.449 -16.016 1.734 1.00 0.00 C ATOM 1667 CG1 VAL A 106 91.918 -15.779 3.139 1.00 0.00 C ATOM 1668 CG2 VAL A 106 91.980 -17.361 1.199 1.00 0.00 C ATOM 0 H VAL A 106 93.277 -15.511 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 106 90.939 -14.747 0.860 1.00 0.00 H new ATOM 0 HB VAL A 106 93.538 -16.030 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 106 92.233 -16.595 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 106 92.311 -14.837 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 106 90.829 -15.734 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 106 92.294 -18.153 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 106 90.893 -17.362 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 106 92.417 -17.534 0.215 1.00 0.00 H new ATOM 1678 N ILE A 107 91.919 -12.604 1.639 1.00 0.00 N ATOM 1679 CA ILE A 107 92.459 -11.323 2.081 1.00 0.00 C ATOM 1680 C ILE A 107 92.328 -11.166 3.592 1.00 0.00 C ATOM 1681 O ILE A 107 91.223 -11.045 4.120 1.00 0.00 O ATOM 1682 CB ILE A 107 91.749 -10.142 1.389 1.00 0.00 C ATOM 1683 CG1 ILE A 107 91.770 -10.325 -0.131 1.00 0.00 C ATOM 1684 CG2 ILE A 107 92.403 -8.823 1.781 1.00 0.00 C ATOM 1685 CD1 ILE A 107 91.114 -9.189 -0.887 1.00 0.00 C ATOM 0 H ILE A 107 90.902 -12.669 1.678 1.00 0.00 H new ATOM 0 HA ILE A 107 93.514 -11.312 1.806 1.00 0.00 H new ATOM 0 HB ILE A 107 90.710 -10.119 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 107 92.804 -10.422 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 107 91.265 -11.258 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 107 91.889 -8.000 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 107 92.338 -8.691 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 107 93.450 -8.832 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 107 91.166 -9.387 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 107 90.070 -9.105 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 107 91.633 -8.256 -0.664 1.00 0.00 H new ATOM 1697 N ILE A 108 93.463 -11.168 4.283 1.00 0.00 N ATOM 1698 CA ILE A 108 93.473 -11.025 5.734 1.00 0.00 C ATOM 1699 C ILE A 108 93.357 -9.560 6.141 1.00 0.00 C ATOM 1700 O ILE A 108 92.356 -9.146 6.726 1.00 0.00 O ATOM 1701 CB ILE A 108 94.755 -11.616 6.350 1.00 0.00 C ATOM 1702 CG1 ILE A 108 95.008 -13.024 5.808 1.00 0.00 C ATOM 1703 CG2 ILE A 108 94.651 -11.639 7.868 1.00 0.00 C ATOM 1704 CD1 ILE A 108 93.910 -14.009 6.146 1.00 0.00 C ATOM 0 H ILE A 108 94.387 -11.267 3.862 1.00 0.00 H new ATOM 0 HA ILE A 108 92.611 -11.576 6.111 1.00 0.00 H new ATOM 0 HB ILE A 108 95.598 -10.984 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 108 95.118 -12.973 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 108 95.952 -13.394 6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 108 95.564 -12.059 8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 108 94.515 -10.623 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 108 93.799 -12.251 8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 108 94.157 -14.986 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 108 93.814 -14.090 7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 108 92.967 -13.662 5.723 1.00 0.00 H new ATOM 1716 N GLY A 109 94.386 -8.780 5.828 1.00 0.00 N ATOM 1717 CA GLY A 109 94.381 -7.370 6.167 1.00 0.00 C ATOM 1718 C GLY A 109 94.127 -6.485 4.962 1.00 0.00 C ATOM 1719 O GLY A 109 94.277 -6.922 3.821 1.00 0.00 O ATOM 0 H GLY A 109 95.225 -9.100 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 109 93.615 -7.183 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 109 95.339 -7.104 6.614 1.00 0.00 H new ATOM 1723 N ALA A 110 93.742 -5.239 5.216 1.00 0.00 N ATOM 1724 CA ALA A 110 93.467 -4.291 4.143 1.00 0.00 C ATOM 1725 C ALA A 110 94.339 -3.046 4.273 1.00 0.00 C ATOM 1726 O ALA A 110 94.535 -2.524 5.370 1.00 0.00 O ATOM 1727 CB ALA A 110 91.993 -3.911 4.143 1.00 0.00 C ATOM 0 H ALA A 110 93.613 -4.862 6.155 1.00 0.00 H new ATOM 0 HA ALA A 110 93.707 -4.771 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 110 91.800 -3.203 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 110 91.387 -4.805 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 110 91.735 -3.453 5.098 1.00 0.00 H new ATOM 1733 N ILE A 111 94.860 -2.575 3.143 1.00 0.00 N ATOM 1734 CA ILE A 111 95.710 -1.390 3.130 1.00 0.00 C ATOM 1735 C ILE A 111 94.950 -0.176 2.603 1.00 0.00 C ATOM 1736 O ILE A 111 94.209 -0.273 1.625 1.00 0.00 O ATOM 1737 CB ILE A 111 96.968 -1.609 2.269 1.00 0.00 C ATOM 1738 CG1 ILE A 111 97.646 -2.928 2.644 1.00 0.00 C ATOM 1739 CG2 ILE A 111 97.933 -0.445 2.436 1.00 0.00 C ATOM 1740 CD1 ILE A 111 98.781 -3.308 1.717 1.00 0.00 C ATOM 0 H ILE A 111 94.708 -2.996 2.226 1.00 0.00 H new ATOM 0 HA ILE A 111 96.014 -1.207 4.161 1.00 0.00 H new ATOM 0 HB ILE A 111 96.669 -1.661 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 111 98.028 -2.854 3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 111 96.902 -3.724 2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 111 98.817 -0.614 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 111 97.446 0.479 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 111 98.228 -0.364 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 111 99.216 -4.253 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 111 98.401 -3.414 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 111 99.545 -2.531 1.739 1.00 0.00 H new ATOM 1752 N SER A 112 95.142 0.965 3.255 1.00 0.00 N ATOM 1753 CA SER A 112 94.473 2.198 2.854 1.00 0.00 C ATOM 1754 C SER A 112 95.479 3.215 2.320 1.00 0.00 C ATOM 1755 O SER A 112 96.600 3.315 2.820 1.00 0.00 O ATOM 1756 CB SER A 112 93.700 2.794 4.034 1.00 0.00 C ATOM 1757 OG SER A 112 93.941 2.065 5.226 1.00 0.00 O ATOM 0 H SER A 112 95.756 1.062 4.064 1.00 0.00 H new ATOM 0 HA SER A 112 93.770 1.957 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 112 93.993 3.834 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 112 92.633 2.790 3.812 1.00 0.00 H new ATOM 0 HG SER A 112 93.106 1.981 5.733 1.00 0.00 H new ATOM 1763 N THR A 113 95.069 3.969 1.305 1.00 0.00 N ATOM 1764 CA THR A 113 95.932 4.979 0.706 1.00 0.00 C ATOM 1765 C THR A 113 95.439 6.386 1.032 1.00 0.00 C ATOM 1766 O THR A 113 94.249 6.678 0.924 1.00 0.00 O ATOM 1767 CB THR A 113 96.012 4.818 -0.824 1.00 0.00 C ATOM 1768 OG1 THR A 113 96.101 3.429 -1.167 1.00 0.00 O ATOM 1769 CG2 THR A 113 97.217 5.561 -1.383 1.00 0.00 C ATOM 0 H THR A 113 94.144 3.899 0.881 1.00 0.00 H new ATOM 0 HA THR A 113 96.926 4.836 1.130 1.00 0.00 H new ATOM 0 HB THR A 113 95.108 5.242 -1.260 1.00 0.00 H new ATOM 0 HG1 THR A 113 95.201 3.044 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 113 97.253 5.433 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 113 97.133 6.621 -1.145 1.00 0.00 H new ATOM 0 HG23 THR A 113 98.129 5.161 -0.940 1.00 0.00 H new ATOM 1777 N PHE A 114 96.364 7.253 1.432 1.00 0.00 N ATOM 1778 CA PHE A 114 96.023 8.629 1.775 1.00 0.00 C ATOM 1779 C PHE A 114 97.101 9.592 1.286 1.00 0.00 C ATOM 1780 O PHE A 114 98.294 9.306 1.383 1.00 0.00 O ATOM 1781 CB PHE A 114 95.844 8.772 3.287 1.00 0.00 C ATOM 1782 CG PHE A 114 95.213 10.072 3.696 1.00 0.00 C ATOM 1783 CD1 PHE A 114 94.086 10.546 3.043 1.00 0.00 C ATOM 1784 CD2 PHE A 114 95.747 10.819 4.733 1.00 0.00 C ATOM 1785 CE1 PHE A 114 93.503 11.742 3.417 1.00 0.00 C ATOM 1786 CE2 PHE A 114 95.168 12.016 5.112 1.00 0.00 C ATOM 1787 CZ PHE A 114 94.046 12.478 4.453 1.00 0.00 C ATOM 0 H PHE A 114 97.354 7.027 1.526 1.00 0.00 H new ATOM 0 HA PHE A 114 95.084 8.879 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 114 95.230 7.949 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 114 96.817 8.682 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 114 93.659 9.974 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 114 96.625 10.463 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 114 92.625 12.101 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 114 95.593 12.589 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 114 93.593 13.413 4.747 1.00 0.00 H new ATOM 1797 N ARG A 115 96.672 10.736 0.762 1.00 0.00 N ATOM 1798 CA ARG A 115 97.600 11.740 0.257 1.00 0.00 C ATOM 1799 C ARG A 115 97.032 13.145 0.432 1.00 0.00 C ATOM 1800 O ARG A 115 95.977 13.472 -0.110 1.00 0.00 O ATOM 1801 CB ARG A 115 97.911 11.483 -1.218 1.00 0.00 C ATOM 1802 CG ARG A 115 99.055 12.330 -1.754 1.00 0.00 C ATOM 1803 CD ARG A 115 99.431 11.924 -3.169 1.00 0.00 C ATOM 1804 NE ARG A 115 98.565 12.550 -4.166 1.00 0.00 N ATOM 1805 CZ ARG A 115 98.597 13.846 -4.467 1.00 0.00 C ATOM 1806 NH1 ARG A 115 99.449 14.657 -3.853 1.00 0.00 N ATOM 1807 NH2 ARG A 115 97.774 14.334 -5.386 1.00 0.00 N ATOM 0 H ARG A 115 95.688 10.990 0.676 1.00 0.00 H new ATOM 0 HA ARG A 115 98.522 11.667 0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 115 98.156 10.429 -1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 115 97.016 11.679 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 115 98.769 13.382 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 115 99.922 12.227 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 115 100.467 12.202 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 115 99.369 10.840 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 115 97.897 11.959 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 115 100.085 14.288 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 115 99.468 15.649 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 115 97.117 13.716 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 115 97.798 15.327 -5.617 1.00 0.00 H new ATOM 1821 N ASP A 116 97.741 13.975 1.193 1.00 0.00 N ATOM 1822 CA ASP A 116 97.309 15.345 1.440 1.00 0.00 C ATOM 1823 C ASP A 116 98.299 16.341 0.845 1.00 0.00 C ATOM 1824 O ASP A 116 99.396 16.531 1.372 1.00 0.00 O ATOM 1825 CB ASP A 116 97.161 15.592 2.943 1.00 0.00 C ATOM 1826 CG ASP A 116 95.778 15.240 3.453 1.00 0.00 C ATOM 1827 OD1 ASP A 116 95.093 14.425 2.800 1.00 0.00 O ATOM 1828 OD2 ASP A 116 95.378 15.781 4.506 1.00 0.00 O ATOM 0 H ASP A 116 98.617 13.721 1.649 1.00 0.00 H new ATOM 0 HA ASP A 116 96.342 15.488 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 116 97.904 15.003 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 116 97.369 16.640 3.158 1.00 0.00 H new ATOM 1833 N LYS A 117 97.905 16.976 -0.255 1.00 0.00 N ATOM 1834 CA LYS A 117 98.756 17.953 -0.925 1.00 0.00 C ATOM 1835 C LYS A 117 100.019 17.290 -1.471 1.00 0.00 C ATOM 1836 O LYS A 117 100.120 17.019 -2.667 1.00 0.00 O ATOM 1837 CB LYS A 117 99.130 19.084 0.038 1.00 0.00 C ATOM 1838 CG LYS A 117 98.236 20.308 -0.087 1.00 0.00 C ATOM 1839 CD LYS A 117 98.870 21.375 -0.965 1.00 0.00 C ATOM 1840 CE LYS A 117 97.885 21.909 -1.993 1.00 0.00 C ATOM 1841 NZ LYS A 117 97.850 21.064 -3.219 1.00 0.00 N ATOM 0 H LYS A 117 97.000 16.831 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 117 98.197 18.372 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 117 99.080 18.711 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 117 100.163 19.379 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 117 97.273 20.015 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 117 98.040 20.719 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 117 99.228 22.195 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 117 99.739 20.959 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 117 96.889 21.952 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 117 98.159 22.929 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 97.167 21.461 -3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 98.795 21.043 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 97.564 20.097 -2.966 1.00 0.00 H new ATOM 1855 N THR A 118 100.978 17.032 -0.588 1.00 0.00 N ATOM 1856 CA THR A 118 102.230 16.400 -0.983 1.00 0.00 C ATOM 1857 C THR A 118 102.462 15.110 -0.204 1.00 0.00 C ATOM 1858 O THR A 118 101.483 14.572 0.354 1.00 0.00 O ATOM 1859 CB THR A 118 103.430 17.339 -0.766 1.00 0.00 C ATOM 1860 OG1 THR A 118 103.398 17.877 0.562 1.00 0.00 O ATOM 1861 CG2 THR A 118 103.417 18.476 -1.778 1.00 0.00 C ATOM 0 H THR A 118 100.911 17.251 0.406 1.00 0.00 H new ATOM 0 HA THR A 118 102.146 16.172 -2.046 1.00 0.00 H new ATOM 0 HB THR A 118 104.344 16.761 -0.902 1.00 0.00 H new ATOM 0 HG1 THR A 118 104.166 18.472 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 118 104.274 19.127 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A 118 103.470 18.066 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 118 102.497 19.051 -1.668 1.00 0.00 H new TER 1869 THR A 118