USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 GLN : amide:sc= -2.87! K(o=-3.1!,f=-2.2) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 138:sc= -0.266 (180deg=-2.46!) USER MOD Set 1.3: A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= -1.55 X(o=-2.9,f=-2.5) USER MOD Set 2.2: A 69 GLN : amide:sc= -1.32 K(o=-2.9,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -100:sc= 0.204 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 57:sc= 0.242 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -109:sc= -0.424 (180deg=-2.52) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.966 USER MOD Single : A 23 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.12) USER MOD Single : A 27 HIS : no HD1:sc= -1.65! K(o=-1.6!,f=-0.61) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.465 USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -1.13 (180deg=-1.83!) USER MOD Single : A 35 GLN : amide:sc= -0.0301 X(o=-0.03,f=-0.11) USER MOD Single : A 37 GLN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -121:sc= -0.768 (180deg=-2.75!) USER MOD Single : A 54 LYS NZ :NH3+ -124:sc= -0.219 (180deg=-2.1!) USER MOD Single : A 58 GLN : amide:sc= -0.657 K(o=-0.66,f=-0.1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 160:sc= -0.0989 USER MOD Single : A 68 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.059) USER MOD Single : A 73 THR OG1 : rot -67:sc= 0.982 USER MOD Single : A 74 MET CE :methyl 131:sc= -0.454 (180deg=-1.86!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0801 USER MOD Single : A 93 SER OG : rot 17:sc= 0.0983 USER MOD Single : A 95 CYS SG : rot -95:sc= -0.744 USER MOD Single : A 99 HIS : no HE2:sc= -0.378 K(o=-0.38,f=-1.2) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -150:sc= -0.321 (180deg=-1.44!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.314 -15.855 11.222 1.00 0.00 N ATOM 2 CA GLY A 1 -35.539 -14.732 12.113 1.00 0.00 C ATOM 3 C GLY A 1 -36.044 -13.504 11.382 1.00 0.00 C ATOM 4 O GLY A 1 -37.252 -13.288 11.278 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.970 -16.669 11.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.206 -16.108 10.750 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.605 -15.594 10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.261 -15.018 12.878 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.609 -14.488 12.627 1.00 0.00 H new ATOM 8 N SER A 2 -35.118 -12.696 10.875 1.00 0.00 N ATOM 9 CA SER A 2 -35.476 -11.479 10.155 1.00 0.00 C ATOM 10 C SER A 2 -35.056 -11.571 8.691 1.00 0.00 C ATOM 11 O SER A 2 -33.880 -11.769 8.383 1.00 0.00 O ATOM 12 CB SER A 2 -34.822 -10.262 10.810 1.00 0.00 C ATOM 13 OG SER A 2 -35.610 -9.098 10.626 1.00 0.00 O ATOM 0 H SER A 2 -34.114 -12.862 10.949 1.00 0.00 H new ATOM 0 HA SER A 2 -36.559 -11.366 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.686 -10.448 11.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.831 -10.105 10.384 1.00 0.00 H new ATOM 0 HG SER A 2 -35.243 -8.568 9.888 1.00 0.00 H new ATOM 19 N SER A 3 -36.025 -11.426 7.793 1.00 0.00 N ATOM 20 CA SER A 3 -35.757 -11.496 6.362 1.00 0.00 C ATOM 21 C SER A 3 -34.830 -10.364 5.926 1.00 0.00 C ATOM 22 O SER A 3 -33.820 -10.595 5.263 1.00 0.00 O ATOM 23 CB SER A 3 -37.066 -11.430 5.573 1.00 0.00 C ATOM 24 OG SER A 3 -37.817 -12.622 5.731 1.00 0.00 O ATOM 0 H SER A 3 -37.003 -11.259 8.031 1.00 0.00 H new ATOM 0 HA SER A 3 -35.264 -12.446 6.156 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.655 -10.578 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.850 -11.270 4.517 1.00 0.00 H new ATOM 0 HG SER A 3 -38.650 -12.554 5.219 1.00 0.00 H new ATOM 30 N GLY A 4 -35.183 -9.140 6.305 1.00 0.00 N ATOM 31 CA GLY A 4 -34.374 -7.990 5.946 1.00 0.00 C ATOM 32 C GLY A 4 -34.108 -7.076 7.126 1.00 0.00 C ATOM 33 O GLY A 4 -34.437 -7.410 8.264 1.00 0.00 O ATOM 0 H GLY A 4 -36.015 -8.924 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.424 -8.332 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.878 -7.427 5.160 1.00 0.00 H new ATOM 37 N SER A 5 -33.510 -5.921 6.854 1.00 0.00 N ATOM 38 CA SER A 5 -33.194 -4.959 7.904 1.00 0.00 C ATOM 39 C SER A 5 -32.704 -3.644 7.305 1.00 0.00 C ATOM 40 O SER A 5 -32.071 -3.627 6.250 1.00 0.00 O ATOM 41 CB SER A 5 -32.134 -5.530 8.847 1.00 0.00 C ATOM 42 OG SER A 5 -30.969 -5.910 8.134 1.00 0.00 O ATOM 0 H SER A 5 -33.235 -5.628 5.917 1.00 0.00 H new ATOM 0 HA SER A 5 -34.105 -4.764 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.876 -4.787 9.602 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.539 -6.393 9.375 1.00 0.00 H new ATOM 0 HG SER A 5 -30.306 -6.270 8.759 1.00 0.00 H new ATOM 48 N SER A 6 -33.002 -2.543 7.988 1.00 0.00 N ATOM 49 CA SER A 6 -32.596 -1.222 7.523 1.00 0.00 C ATOM 50 C SER A 6 -32.032 -0.391 8.672 1.00 0.00 C ATOM 51 O SER A 6 -32.054 -0.813 9.827 1.00 0.00 O ATOM 52 CB SER A 6 -33.782 -0.494 6.887 1.00 0.00 C ATOM 53 OG SER A 6 -34.043 -0.988 5.584 1.00 0.00 O ATOM 0 H SER A 6 -33.523 -2.540 8.865 1.00 0.00 H new ATOM 0 HA SER A 6 -31.815 -1.353 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 6 -34.667 -0.619 7.511 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.574 0.575 6.839 1.00 0.00 H new ATOM 0 HG SER A 6 -34.806 -0.508 5.199 1.00 0.00 H new ATOM 59 N GLY A 7 -31.528 0.795 8.345 1.00 0.00 N ATOM 60 CA GLY A 7 -30.965 1.667 9.359 1.00 0.00 C ATOM 61 C GLY A 7 -29.582 2.167 8.992 1.00 0.00 C ATOM 62 O GLY A 7 -28.566 1.613 9.414 1.00 0.00 O ATOM 0 H GLY A 7 -31.500 1.167 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.628 2.519 9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.914 1.131 10.307 1.00 0.00 H new ATOM 66 N PRO A 8 -29.530 3.238 8.187 1.00 0.00 N ATOM 67 CA PRO A 8 -28.266 3.835 7.744 1.00 0.00 C ATOM 68 C PRO A 8 -27.524 4.531 8.881 1.00 0.00 C ATOM 69 O PRO A 8 -28.138 5.156 9.746 1.00 0.00 O ATOM 70 CB PRO A 8 -28.705 4.854 6.689 1.00 0.00 C ATOM 71 CG PRO A 8 -30.107 5.199 7.057 1.00 0.00 C ATOM 72 CD PRO A 8 -30.700 3.949 7.647 1.00 0.00 C ATOM 0 HA PRO A 8 -27.571 3.085 7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -28.064 5.736 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -28.651 4.433 5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -30.132 6.019 7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -30.671 5.524 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -31.426 4.178 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -31.218 3.356 6.894 1.00 0.00 H new ATOM 80 N LYS A 9 -26.200 4.419 8.873 1.00 0.00 N ATOM 81 CA LYS A 9 -25.374 5.039 9.901 1.00 0.00 C ATOM 82 C LYS A 9 -24.496 6.136 9.306 1.00 0.00 C ATOM 83 O LYS A 9 -23.892 5.957 8.248 1.00 0.00 O ATOM 84 CB LYS A 9 -24.499 3.986 10.585 1.00 0.00 C ATOM 85 CG LYS A 9 -23.681 4.533 11.742 1.00 0.00 C ATOM 86 CD LYS A 9 -24.518 4.667 13.002 1.00 0.00 C ATOM 87 CE LYS A 9 -23.753 5.379 14.107 1.00 0.00 C ATOM 88 NZ LYS A 9 -22.829 4.457 14.825 1.00 0.00 N ATOM 0 H LYS A 9 -25.676 3.904 8.165 1.00 0.00 H new ATOM 0 HA LYS A 9 -26.036 5.489 10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -25.134 3.179 10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.824 3.552 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -22.835 3.873 11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -23.271 5.506 11.471 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -25.431 5.218 12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -24.820 3.678 13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -23.183 6.205 13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -24.458 5.811 14.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -22.326 4.980 15.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -23.375 3.683 15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -22.140 4.064 14.153 1.00 0.00 H new ATOM 102 N THR A 10 -24.429 7.272 9.994 1.00 0.00 N ATOM 103 CA THR A 10 -23.625 8.397 9.533 1.00 0.00 C ATOM 104 C THR A 10 -22.814 8.997 10.676 1.00 0.00 C ATOM 105 O THR A 10 -23.262 9.924 11.349 1.00 0.00 O ATOM 106 CB THR A 10 -24.505 9.498 8.911 1.00 0.00 C ATOM 107 OG1 THR A 10 -25.609 9.789 9.774 1.00 0.00 O ATOM 108 CG2 THR A 10 -25.020 9.071 7.545 1.00 0.00 C ATOM 0 H THR A 10 -24.922 7.437 10.872 1.00 0.00 H new ATOM 0 HA THR A 10 -22.946 8.011 8.772 1.00 0.00 H new ATOM 0 HB THR A 10 -23.896 10.394 8.788 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.274 10.051 10.657 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.639 9.864 7.125 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.177 8.879 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 10 -25.614 8.163 7.648 1.00 0.00 H new ATOM 116 N GLY A 11 -21.615 8.462 10.889 1.00 0.00 N ATOM 117 CA GLY A 11 -20.760 8.958 11.951 1.00 0.00 C ATOM 118 C GLY A 11 -19.535 9.676 11.421 1.00 0.00 C ATOM 119 O GLY A 11 -19.410 9.935 10.224 1.00 0.00 O ATOM 0 H GLY A 11 -21.221 7.694 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.330 9.638 12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.446 8.125 12.579 1.00 0.00 H new ATOM 123 N PRO A 12 -18.603 10.012 12.326 1.00 0.00 N ATOM 124 CA PRO A 12 -17.366 10.711 11.966 1.00 0.00 C ATOM 125 C PRO A 12 -16.413 9.829 11.167 1.00 0.00 C ATOM 126 O PRO A 12 -16.699 8.658 10.914 1.00 0.00 O ATOM 127 CB PRO A 12 -16.754 11.069 13.322 1.00 0.00 C ATOM 128 CG PRO A 12 -17.303 10.056 14.265 1.00 0.00 C ATOM 129 CD PRO A 12 -18.686 9.735 13.770 1.00 0.00 C ATOM 0 HA PRO A 12 -17.556 11.574 11.328 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.665 11.029 13.288 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.026 12.080 13.625 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -16.679 9.163 14.285 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.334 10.446 15.282 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.952 8.696 13.965 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.441 10.354 14.255 1.00 0.00 H new ATOM 137 N THR A 13 -15.277 10.397 10.773 1.00 0.00 N ATOM 138 CA THR A 13 -14.282 9.662 10.003 1.00 0.00 C ATOM 139 C THR A 13 -13.068 9.319 10.858 1.00 0.00 C ATOM 140 O THR A 13 -12.682 10.086 11.740 1.00 0.00 O ATOM 141 CB THR A 13 -13.819 10.465 8.773 1.00 0.00 C ATOM 142 OG1 THR A 13 -12.914 9.680 7.988 1.00 0.00 O ATOM 143 CG2 THR A 13 -13.140 11.759 9.195 1.00 0.00 C ATOM 0 H THR A 13 -15.024 11.364 10.975 1.00 0.00 H new ATOM 0 HA THR A 13 -14.759 8.741 9.668 1.00 0.00 H new ATOM 0 HB THR A 13 -14.697 10.712 8.177 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.625 10.197 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.822 12.309 8.309 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.840 12.367 9.767 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.271 11.530 9.811 1.00 0.00 H new ATOM 151 N MET A 14 -12.469 8.163 10.592 1.00 0.00 N ATOM 152 CA MET A 14 -11.296 7.720 11.337 1.00 0.00 C ATOM 153 C MET A 14 -10.095 7.554 10.412 1.00 0.00 C ATOM 154 O MET A 14 -10.201 7.741 9.199 1.00 0.00 O ATOM 155 CB MET A 14 -11.589 6.401 12.054 1.00 0.00 C ATOM 156 CG MET A 14 -12.414 6.567 13.320 1.00 0.00 C ATOM 157 SD MET A 14 -13.979 7.412 13.023 1.00 0.00 S ATOM 158 CE MET A 14 -14.747 6.300 11.847 1.00 0.00 C ATOM 0 H MET A 14 -12.777 7.516 9.866 1.00 0.00 H new ATOM 0 HA MET A 14 -11.058 8.483 12.078 1.00 0.00 H new ATOM 0 HB2 MET A 14 -12.117 5.735 11.371 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.646 5.917 12.306 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.612 5.586 13.752 1.00 0.00 H new ATOM 0 HG3 MET A 14 -11.836 7.128 14.055 1.00 0.00 H new ATOM 0 HE1 MET A 14 -14.765 6.768 10.863 1.00 0.00 H new ATOM 0 HE2 MET A 14 -14.177 5.372 11.797 1.00 0.00 H new ATOM 0 HE3 MET A 14 -15.767 6.082 12.164 1.00 0.00 H new ATOM 168 N THR A 15 -8.952 7.202 10.991 1.00 0.00 N ATOM 169 CA THR A 15 -7.730 7.012 10.219 1.00 0.00 C ATOM 170 C THR A 15 -7.013 5.731 10.631 1.00 0.00 C ATOM 171 O THR A 15 -6.746 5.510 11.813 1.00 0.00 O ATOM 172 CB THR A 15 -6.768 8.203 10.388 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.419 9.417 9.998 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.511 8.005 9.554 1.00 0.00 C ATOM 0 H THR A 15 -8.847 7.042 11.993 1.00 0.00 H new ATOM 0 HA THR A 15 -8.025 6.939 9.172 1.00 0.00 H new ATOM 0 HB THR A 15 -6.482 8.266 11.438 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.802 10.170 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.847 8.858 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.002 7.095 9.873 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.782 7.919 8.502 1.00 0.00 H new ATOM 182 N LYS A 16 -6.702 4.891 9.650 1.00 0.00 N ATOM 183 CA LYS A 16 -6.013 3.633 9.910 1.00 0.00 C ATOM 184 C LYS A 16 -4.526 3.750 9.590 1.00 0.00 C ATOM 185 O LYS A 16 -4.144 4.364 8.594 1.00 0.00 O ATOM 186 CB LYS A 16 -6.636 2.506 9.082 1.00 0.00 C ATOM 187 CG LYS A 16 -8.065 2.178 9.480 1.00 0.00 C ATOM 188 CD LYS A 16 -8.116 1.406 10.788 1.00 0.00 C ATOM 189 CE LYS A 16 -9.484 1.512 11.444 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.520 0.825 12.765 1.00 0.00 N ATOM 0 H LYS A 16 -6.916 5.059 8.667 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.122 3.401 10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.616 2.786 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.024 1.610 9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.637 3.101 9.578 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.538 1.592 8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.880 0.358 10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.355 1.789 11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.744 2.563 11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.237 1.076 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.469 0.920 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.297 -0.183 12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.820 1.258 13.400 1.00 0.00 H new ATOM 204 N GLU A 17 -3.693 3.157 10.440 1.00 0.00 N ATOM 205 CA GLU A 17 -2.249 3.196 10.245 1.00 0.00 C ATOM 206 C GLU A 17 -1.681 1.787 10.102 1.00 0.00 C ATOM 207 O GLU A 17 -1.907 0.925 10.952 1.00 0.00 O ATOM 208 CB GLU A 17 -1.573 3.913 11.416 1.00 0.00 C ATOM 209 CG GLU A 17 -2.067 5.335 11.625 1.00 0.00 C ATOM 210 CD GLU A 17 -3.449 5.387 12.246 1.00 0.00 C ATOM 211 OE1 GLU A 17 -3.675 4.680 13.251 1.00 0.00 O ATOM 212 OE2 GLU A 17 -4.305 6.134 11.728 1.00 0.00 O ATOM 0 H GLU A 17 -3.993 2.645 11.269 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.047 3.746 9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.742 3.341 12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.496 3.932 11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.365 5.869 12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.084 5.854 10.667 1.00 0.00 H new ATOM 219 N LEU A 18 -0.944 1.560 9.020 1.00 0.00 N ATOM 220 CA LEU A 18 -0.343 0.255 8.764 1.00 0.00 C ATOM 221 C LEU A 18 1.180 0.346 8.770 1.00 0.00 C ATOM 222 O LEU A 18 1.768 1.141 8.037 1.00 0.00 O ATOM 223 CB LEU A 18 -0.827 -0.295 7.421 1.00 0.00 C ATOM 224 CG LEU A 18 -0.884 -1.819 7.302 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.148 -2.358 7.955 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.814 -2.242 5.842 1.00 0.00 C ATOM 0 H LEU A 18 -0.748 2.262 8.306 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.651 -0.423 9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.823 0.102 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.172 0.087 6.637 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.023 -2.238 7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.172 -3.444 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.157 -2.085 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.022 -1.932 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.856 -3.329 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.655 -1.813 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.119 -1.887 5.405 1.00 0.00 H new ATOM 238 N VAL A 19 1.812 -0.475 9.602 1.00 0.00 N ATOM 239 CA VAL A 19 3.267 -0.490 9.702 1.00 0.00 C ATOM 240 C VAL A 19 3.820 -1.889 9.452 1.00 0.00 C ATOM 241 O VAL A 19 3.381 -2.861 10.066 1.00 0.00 O ATOM 242 CB VAL A 19 3.740 -0.003 11.085 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.259 -0.010 11.163 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.189 1.385 11.377 1.00 0.00 C ATOM 0 H VAL A 19 1.340 -1.138 10.216 1.00 0.00 H new ATOM 0 HA VAL A 19 3.644 0.189 8.937 1.00 0.00 H new ATOM 0 HB VAL A 19 3.359 -0.688 11.843 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.574 0.337 12.147 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.627 -1.023 11.000 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.666 0.651 10.398 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.533 1.714 12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.540 2.083 10.617 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.100 1.354 11.366 1.00 0.00 H new ATOM 254 N PHE A 20 4.788 -1.982 8.546 1.00 0.00 N ATOM 255 CA PHE A 20 5.403 -3.262 8.213 1.00 0.00 C ATOM 256 C PHE A 20 6.777 -3.058 7.583 1.00 0.00 C ATOM 257 O PHE A 20 6.980 -2.132 6.798 1.00 0.00 O ATOM 258 CB PHE A 20 4.503 -4.051 7.260 1.00 0.00 C ATOM 259 CG PHE A 20 4.136 -3.293 6.016 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.051 -3.139 4.987 1.00 0.00 C ATOM 261 CD2 PHE A 20 2.877 -2.732 5.877 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.717 -2.442 3.842 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.537 -2.035 4.734 1.00 0.00 C ATOM 264 CZ PHE A 20 3.458 -1.888 3.715 1.00 0.00 C ATOM 0 H PHE A 20 5.163 -1.187 8.029 1.00 0.00 H new ATOM 0 HA PHE A 20 5.528 -3.828 9.136 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.008 -4.975 6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.591 -4.334 7.785 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.037 -3.569 5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.153 -2.841 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.439 -2.330 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.551 -1.605 4.637 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.194 -1.341 2.822 1.00 0.00 H new ATOM 274 N SER A 21 7.717 -3.930 7.932 1.00 0.00 N ATOM 275 CA SER A 21 9.074 -3.844 7.405 1.00 0.00 C ATOM 276 C SER A 21 9.129 -4.343 5.964 1.00 0.00 C ATOM 277 O SER A 21 8.476 -5.325 5.610 1.00 0.00 O ATOM 278 CB SER A 21 10.035 -4.657 8.274 1.00 0.00 C ATOM 279 OG SER A 21 10.334 -3.974 9.479 1.00 0.00 O ATOM 0 H SER A 21 7.564 -4.705 8.578 1.00 0.00 H new ATOM 0 HA SER A 21 9.378 -2.797 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.592 -5.627 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.956 -4.848 7.723 1.00 0.00 H new ATOM 0 HG SER A 21 10.949 -4.515 10.018 1.00 0.00 H new ATOM 285 N SER A 22 9.913 -3.658 5.137 1.00 0.00 N ATOM 286 CA SER A 22 10.051 -4.028 3.733 1.00 0.00 C ATOM 287 C SER A 22 10.259 -5.532 3.585 1.00 0.00 C ATOM 288 O SER A 22 9.760 -6.150 2.646 1.00 0.00 O ATOM 289 CB SER A 22 11.222 -3.275 3.098 1.00 0.00 C ATOM 290 OG SER A 22 10.993 -1.877 3.106 1.00 0.00 O ATOM 0 H SER A 22 10.462 -2.844 5.415 1.00 0.00 H new ATOM 0 HA SER A 22 9.130 -3.754 3.219 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.140 -3.499 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.366 -3.617 2.073 1.00 0.00 H new ATOM 0 HG SER A 22 11.756 -1.418 2.697 1.00 0.00 H new ATOM 296 N ASN A 23 11.001 -6.115 4.521 1.00 0.00 N ATOM 297 CA ASN A 23 11.277 -7.547 4.496 1.00 0.00 C ATOM 298 C ASN A 23 10.034 -8.334 4.093 1.00 0.00 C ATOM 299 O ASN A 23 10.122 -9.321 3.362 1.00 0.00 O ATOM 300 CB ASN A 23 11.769 -8.017 5.867 1.00 0.00 C ATOM 301 CG ASN A 23 12.436 -9.378 5.807 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.640 -9.502 6.031 1.00 0.00 O ATOM 303 ND2 ASN A 23 11.653 -10.407 5.502 1.00 0.00 N ATOM 0 H ASN A 23 11.422 -5.618 5.306 1.00 0.00 H new ATOM 0 HA ASN A 23 12.056 -7.728 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.473 -7.288 6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.927 -8.058 6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.045 -11.347 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.660 -10.257 5.324 1.00 0.00 H new ATOM 310 N ILE A 24 8.877 -7.889 4.574 1.00 0.00 N ATOM 311 CA ILE A 24 7.616 -8.550 4.262 1.00 0.00 C ATOM 312 C ILE A 24 7.630 -9.121 2.848 1.00 0.00 C ATOM 313 O ILE A 24 7.712 -8.381 1.869 1.00 0.00 O ATOM 314 CB ILE A 24 6.425 -7.585 4.402 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.106 -8.338 4.217 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.540 -6.451 3.393 1.00 0.00 C ATOM 317 CD1 ILE A 24 3.883 -7.492 4.496 1.00 0.00 C ATOM 0 H ILE A 24 8.787 -7.074 5.181 1.00 0.00 H new ATOM 0 HA ILE A 24 7.500 -9.363 4.979 1.00 0.00 H new ATOM 0 HB ILE A 24 6.440 -7.156 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.052 -8.714 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.096 -9.205 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.691 -5.777 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.465 -5.901 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.547 -6.862 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.985 -8.090 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.914 -7.137 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.869 -6.639 3.818 1.00 0.00 H new ATOM 329 N GLY A 25 7.548 -10.445 2.749 1.00 0.00 N ATOM 330 CA GLY A 25 7.550 -11.093 1.450 1.00 0.00 C ATOM 331 C GLY A 25 6.281 -10.825 0.666 1.00 0.00 C ATOM 332 O GLY A 25 5.293 -10.344 1.219 1.00 0.00 O ATOM 0 H GLY A 25 7.480 -11.080 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.409 -10.745 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.670 -12.168 1.584 1.00 0.00 H new ATOM 336 N GLN A 26 6.309 -11.137 -0.626 1.00 0.00 N ATOM 337 CA GLN A 26 5.152 -10.925 -1.487 1.00 0.00 C ATOM 338 C GLN A 26 3.956 -11.739 -1.004 1.00 0.00 C ATOM 339 O GLN A 26 2.806 -11.337 -1.181 1.00 0.00 O ATOM 340 CB GLN A 26 5.489 -11.299 -2.931 1.00 0.00 C ATOM 341 CG GLN A 26 4.645 -10.568 -3.963 1.00 0.00 C ATOM 342 CD GLN A 26 4.991 -9.095 -4.062 1.00 0.00 C ATOM 343 OE1 GLN A 26 6.145 -8.704 -3.890 1.00 0.00 O ATOM 344 NE2 GLN A 26 3.989 -8.269 -4.341 1.00 0.00 N ATOM 0 H GLN A 26 7.120 -11.537 -1.099 1.00 0.00 H new ATOM 0 HA GLN A 26 4.889 -9.868 -1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.541 -11.084 -3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.355 -12.373 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.783 -11.036 -4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.591 -10.673 -3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.047 -8.637 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.161 -7.267 -4.420 1.00 0.00 H new ATOM 353 N HIS A 27 4.236 -12.887 -0.394 1.00 0.00 N ATOM 354 CA HIS A 27 3.183 -13.758 0.115 1.00 0.00 C ATOM 355 C HIS A 27 2.325 -13.029 1.144 1.00 0.00 C ATOM 356 O HIS A 27 1.099 -12.997 1.034 1.00 0.00 O ATOM 357 CB HIS A 27 3.790 -15.016 0.738 1.00 0.00 C ATOM 358 CG HIS A 27 2.768 -15.980 1.257 1.00 0.00 C ATOM 359 ND1 HIS A 27 2.761 -17.319 0.926 1.00 0.00 N ATOM 360 CD2 HIS A 27 1.716 -15.794 2.088 1.00 0.00 C ATOM 361 CE1 HIS A 27 1.748 -17.914 1.531 1.00 0.00 C ATOM 362 NE2 HIS A 27 1.098 -17.010 2.242 1.00 0.00 N ATOM 0 H HIS A 27 5.182 -13.235 -0.241 1.00 0.00 H new ATOM 0 HA HIS A 27 2.547 -14.047 -0.722 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.407 -15.519 -0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.450 -14.725 1.555 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.418 -14.862 2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.495 -18.961 1.457 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.271 -17.187 2.813 1.00 0.00 H new ATOM 371 N ASP A 28 2.976 -12.447 2.145 1.00 0.00 N ATOM 372 CA ASP A 28 2.273 -11.719 3.194 1.00 0.00 C ATOM 373 C ASP A 28 1.756 -10.381 2.674 1.00 0.00 C ATOM 374 O ASP A 28 0.575 -10.062 2.815 1.00 0.00 O ATOM 375 CB ASP A 28 3.195 -11.492 4.393 1.00 0.00 C ATOM 376 CG ASP A 28 4.103 -12.677 4.658 1.00 0.00 C ATOM 377 OD1 ASP A 28 3.583 -13.806 4.784 1.00 0.00 O ATOM 378 OD2 ASP A 28 5.332 -12.475 4.738 1.00 0.00 O ATOM 0 H ASP A 28 3.990 -12.465 2.252 1.00 0.00 H new ATOM 0 HA ASP A 28 1.420 -12.320 3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.803 -10.604 4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.592 -11.295 5.279 1.00 0.00 H new ATOM 383 N LEU A 29 2.648 -9.601 2.073 1.00 0.00 N ATOM 384 CA LEU A 29 2.283 -8.296 1.532 1.00 0.00 C ATOM 385 C LEU A 29 0.957 -8.370 0.782 1.00 0.00 C ATOM 386 O LEU A 29 0.125 -7.469 0.883 1.00 0.00 O ATOM 387 CB LEU A 29 3.382 -7.783 0.600 1.00 0.00 C ATOM 388 CG LEU A 29 3.099 -6.456 -0.104 1.00 0.00 C ATOM 389 CD1 LEU A 29 2.952 -5.333 0.911 1.00 0.00 C ATOM 390 CD2 LEU A 29 4.203 -6.135 -1.101 1.00 0.00 C ATOM 0 H LEU A 29 3.629 -9.850 1.948 1.00 0.00 H new ATOM 0 HA LEU A 29 2.170 -7.603 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.300 -7.676 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.570 -8.542 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 29 2.160 -6.550 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.751 -4.396 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.126 -5.558 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.874 -5.239 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.985 -5.187 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.156 -6.061 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.260 -6.927 -1.848 1.00 0.00 H new ATOM 402 N ASP A 30 0.767 -9.449 0.032 1.00 0.00 N ATOM 403 CA ASP A 30 -0.460 -9.643 -0.733 1.00 0.00 C ATOM 404 C ASP A 30 -1.685 -9.312 0.112 1.00 0.00 C ATOM 405 O ASP A 30 -2.584 -8.595 -0.330 1.00 0.00 O ATOM 406 CB ASP A 30 -0.548 -11.083 -1.241 1.00 0.00 C ATOM 407 CG ASP A 30 -1.740 -11.304 -2.151 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.005 -10.430 -3.004 1.00 0.00 O ATOM 409 OD2 ASP A 30 -2.406 -12.350 -2.012 1.00 0.00 O ATOM 0 H ASP A 30 1.447 -10.203 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.437 -8.966 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.367 -11.332 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.613 -11.762 -0.391 1.00 0.00 H new ATOM 414 N THR A 31 -1.716 -9.840 1.332 1.00 0.00 N ATOM 415 CA THR A 31 -2.832 -9.603 2.239 1.00 0.00 C ATOM 416 C THR A 31 -2.903 -8.138 2.653 1.00 0.00 C ATOM 417 O THR A 31 -3.961 -7.513 2.586 1.00 0.00 O ATOM 418 CB THR A 31 -2.724 -10.478 3.503 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.710 -11.863 3.140 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.885 -10.207 4.448 1.00 0.00 C ATOM 0 H THR A 31 -0.981 -10.435 1.714 1.00 0.00 H new ATOM 0 HA THR A 31 -3.740 -9.869 1.698 1.00 0.00 H new ATOM 0 HB THR A 31 -1.794 -10.228 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.639 -12.412 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.788 -10.836 5.333 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.875 -9.158 4.745 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.825 -10.433 3.944 1.00 0.00 H new ATOM 428 N LYS A 32 -1.769 -7.594 3.082 1.00 0.00 N ATOM 429 CA LYS A 32 -1.700 -6.200 3.505 1.00 0.00 C ATOM 430 C LYS A 32 -2.529 -5.310 2.585 1.00 0.00 C ATOM 431 O LYS A 32 -3.181 -4.370 3.037 1.00 0.00 O ATOM 432 CB LYS A 32 -0.247 -5.722 3.523 1.00 0.00 C ATOM 433 CG LYS A 32 0.628 -6.470 4.514 1.00 0.00 C ATOM 434 CD LYS A 32 0.281 -6.107 5.948 1.00 0.00 C ATOM 435 CE LYS A 32 1.418 -6.446 6.900 1.00 0.00 C ATOM 436 NZ LYS A 32 1.547 -7.915 7.108 1.00 0.00 N ATOM 0 H LYS A 32 -0.884 -8.098 3.146 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.110 -6.132 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.175 -5.832 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.226 -4.659 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.507 -7.544 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.676 -6.239 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.058 -5.042 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.620 -6.640 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.354 -6.052 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.247 -5.957 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.332 -8.105 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.663 -8.288 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.736 -8.379 6.197 1.00 0.00 H new ATOM 450 N SER A 33 -2.499 -5.615 1.291 1.00 0.00 N ATOM 451 CA SER A 33 -3.246 -4.840 0.306 1.00 0.00 C ATOM 452 C SER A 33 -4.746 -5.072 0.458 1.00 0.00 C ATOM 453 O SER A 33 -5.534 -4.125 0.476 1.00 0.00 O ATOM 454 CB SER A 33 -2.801 -5.212 -1.110 1.00 0.00 C ATOM 455 OG SER A 33 -1.391 -5.153 -1.233 1.00 0.00 O ATOM 0 H SER A 33 -1.966 -6.392 0.901 1.00 0.00 H new ATOM 0 HA SER A 33 -3.040 -3.784 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.149 -6.216 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.261 -4.534 -1.829 1.00 0.00 H new ATOM 0 HG SER A 33 -1.132 -5.397 -2.146 1.00 0.00 H new ATOM 461 N LYS A 34 -5.135 -6.337 0.566 1.00 0.00 N ATOM 462 CA LYS A 34 -6.540 -6.696 0.717 1.00 0.00 C ATOM 463 C LYS A 34 -7.160 -5.976 1.910 1.00 0.00 C ATOM 464 O LYS A 34 -8.259 -5.429 1.814 1.00 0.00 O ATOM 465 CB LYS A 34 -6.686 -8.210 0.890 1.00 0.00 C ATOM 466 CG LYS A 34 -6.151 -9.010 -0.285 1.00 0.00 C ATOM 467 CD LYS A 34 -6.736 -10.412 -0.317 1.00 0.00 C ATOM 468 CE LYS A 34 -6.055 -11.323 0.693 1.00 0.00 C ATOM 469 NZ LYS A 34 -6.575 -11.109 2.072 1.00 0.00 N ATOM 0 H LYS A 34 -4.496 -7.132 0.552 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.067 -6.387 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.163 -8.516 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.739 -8.451 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.388 -8.494 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.064 -9.069 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.804 -10.367 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.627 -10.830 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.208 -12.363 0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.980 -11.142 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.403 -11.960 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.089 -10.297 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.597 -10.920 2.032 1.00 0.00 H new ATOM 483 N GLN A 35 -6.449 -5.978 3.033 1.00 0.00 N ATOM 484 CA GLN A 35 -6.930 -5.324 4.244 1.00 0.00 C ATOM 485 C GLN A 35 -7.156 -3.835 4.004 1.00 0.00 C ATOM 486 O GLN A 35 -8.189 -3.285 4.387 1.00 0.00 O ATOM 487 CB GLN A 35 -5.934 -5.524 5.387 1.00 0.00 C ATOM 488 CG GLN A 35 -6.563 -5.424 6.767 1.00 0.00 C ATOM 489 CD GLN A 35 -7.380 -6.649 7.126 1.00 0.00 C ATOM 490 OE1 GLN A 35 -8.584 -6.703 6.873 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.729 -7.643 7.718 1.00 0.00 N ATOM 0 H GLN A 35 -5.537 -6.425 3.129 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.882 -5.778 4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.464 -6.502 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.143 -4.779 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.778 -5.285 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.201 -4.541 6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.731 -7.557 7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.227 -8.493 7.982 1.00 0.00 H new ATOM 500 N ILE A 36 -6.184 -3.188 3.371 1.00 0.00 N ATOM 501 CA ILE A 36 -6.277 -1.763 3.081 1.00 0.00 C ATOM 502 C ILE A 36 -7.438 -1.469 2.136 1.00 0.00 C ATOM 503 O ILE A 36 -8.177 -0.504 2.326 1.00 0.00 O ATOM 504 CB ILE A 36 -4.975 -1.228 2.457 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.803 -1.428 3.421 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.125 0.242 2.095 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.449 -1.249 2.771 1.00 0.00 C ATOM 0 H ILE A 36 -5.322 -3.628 3.049 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.448 -1.259 4.032 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.771 -1.787 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.897 -0.722 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.862 -2.429 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.196 0.605 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.937 0.359 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.350 0.817 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.666 -1.405 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.334 -1.973 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.370 -0.240 2.367 1.00 0.00 H new ATOM 519 N GLN A 37 -7.592 -2.310 1.118 1.00 0.00 N ATOM 520 CA GLN A 37 -8.664 -2.142 0.144 1.00 0.00 C ATOM 521 C GLN A 37 -10.013 -1.991 0.840 1.00 0.00 C ATOM 522 O GLN A 37 -10.802 -1.110 0.499 1.00 0.00 O ATOM 523 CB GLN A 37 -8.701 -3.332 -0.816 1.00 0.00 C ATOM 524 CG GLN A 37 -9.415 -3.035 -2.125 1.00 0.00 C ATOM 525 CD GLN A 37 -9.382 -4.207 -3.086 1.00 0.00 C ATOM 526 OE1 GLN A 37 -9.999 -5.244 -2.839 1.00 0.00 O ATOM 527 NE2 GLN A 37 -8.661 -4.049 -4.190 1.00 0.00 N ATOM 0 H GLN A 37 -6.988 -3.114 0.947 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.466 -1.233 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.680 -3.646 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.195 -4.170 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.452 -2.769 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.953 -2.169 -2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.166 -3.173 -4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.603 -4.804 -4.873 1.00 0.00 H new ATOM 536 N GLN A 38 -10.270 -2.858 1.814 1.00 0.00 N ATOM 537 CA GLN A 38 -11.525 -2.821 2.556 1.00 0.00 C ATOM 538 C GLN A 38 -11.704 -1.479 3.258 1.00 0.00 C ATOM 539 O GLN A 38 -12.825 -0.997 3.419 1.00 0.00 O ATOM 540 CB GLN A 38 -11.569 -3.956 3.582 1.00 0.00 C ATOM 541 CG GLN A 38 -11.479 -5.340 2.961 1.00 0.00 C ATOM 542 CD GLN A 38 -11.507 -6.447 3.997 1.00 0.00 C ATOM 543 OE1 GLN A 38 -11.830 -6.214 5.162 1.00 0.00 O ATOM 544 NE2 GLN A 38 -11.170 -7.661 3.576 1.00 0.00 N ATOM 0 H GLN A 38 -9.627 -3.594 2.107 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.341 -2.950 1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.748 -3.829 4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.494 -3.883 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.307 -5.477 2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.560 -5.414 2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.909 -7.808 2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.172 -8.446 4.228 1.00 0.00 H new ATOM 553 N TRP A 39 -10.593 -0.881 3.672 1.00 0.00 N ATOM 554 CA TRP A 39 -10.627 0.406 4.357 1.00 0.00 C ATOM 555 C TRP A 39 -10.944 1.534 3.381 1.00 0.00 C ATOM 556 O TRP A 39 -11.868 2.317 3.602 1.00 0.00 O ATOM 557 CB TRP A 39 -9.290 0.675 5.049 1.00 0.00 C ATOM 558 CG TRP A 39 -9.068 -0.177 6.263 1.00 0.00 C ATOM 559 CD1 TRP A 39 -10.024 -0.675 7.101 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.809 -0.628 6.774 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.435 -1.408 8.102 1.00 0.00 N ATOM 562 CE2 TRP A 39 -8.077 -1.396 7.924 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.481 -0.460 6.371 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -7.067 -1.991 8.674 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.479 -1.052 7.116 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.776 -1.810 8.256 1.00 0.00 C ATOM 0 H TRP A 39 -9.657 -1.267 3.545 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.416 0.368 5.109 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.481 0.502 4.340 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.243 1.725 5.337 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -11.087 -0.516 6.993 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.929 -1.885 8.856 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.242 0.122 5.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.293 -2.575 9.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.449 -0.928 6.814 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.970 -2.261 8.816 1.00 0.00 H new ATOM 577 N ILE A 40 -10.173 1.610 2.302 1.00 0.00 N ATOM 578 CA ILE A 40 -10.373 2.642 1.292 1.00 0.00 C ATOM 579 C ILE A 40 -11.839 2.733 0.883 1.00 0.00 C ATOM 580 O ILE A 40 -12.386 3.826 0.737 1.00 0.00 O ATOM 581 CB ILE A 40 -9.518 2.376 0.038 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.031 2.394 0.396 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.822 3.407 -1.038 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.501 3.776 0.710 1.00 0.00 C ATOM 0 H ILE A 40 -9.404 0.970 2.104 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.063 3.586 1.740 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.767 1.389 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.865 1.746 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.461 1.975 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.210 3.206 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.876 3.351 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.597 4.404 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.441 3.712 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.635 4.423 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.045 4.190 1.559 1.00 0.00 H new ATOM 596 N GLU A 41 -12.471 1.578 0.702 1.00 0.00 N ATOM 597 CA GLU A 41 -13.875 1.528 0.311 1.00 0.00 C ATOM 598 C GLU A 41 -14.708 2.491 1.152 1.00 0.00 C ATOM 599 O GLU A 41 -15.501 3.270 0.623 1.00 0.00 O ATOM 600 CB GLU A 41 -14.418 0.105 0.456 1.00 0.00 C ATOM 601 CG GLU A 41 -14.034 -0.813 -0.692 1.00 0.00 C ATOM 602 CD GLU A 41 -14.964 -0.677 -1.883 1.00 0.00 C ATOM 603 OE1 GLU A 41 -14.806 0.296 -2.650 1.00 0.00 O ATOM 604 OE2 GLU A 41 -15.848 -1.543 -2.048 1.00 0.00 O ATOM 0 H GLU A 41 -12.033 0.664 0.820 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.946 1.831 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.051 -0.322 1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.505 0.146 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.014 -0.590 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.043 -1.846 -0.345 1.00 0.00 H new ATOM 611 N LYS A 42 -14.523 2.431 2.467 1.00 0.00 N ATOM 612 CA LYS A 42 -15.255 3.296 3.384 1.00 0.00 C ATOM 613 C LYS A 42 -14.562 4.647 3.528 1.00 0.00 C ATOM 614 O LYS A 42 -14.630 5.283 4.580 1.00 0.00 O ATOM 615 CB LYS A 42 -15.384 2.628 4.754 1.00 0.00 C ATOM 616 CG LYS A 42 -16.372 1.475 4.778 1.00 0.00 C ATOM 617 CD LYS A 42 -16.306 0.710 6.090 1.00 0.00 C ATOM 618 CE LYS A 42 -17.258 -0.476 6.092 1.00 0.00 C ATOM 619 NZ LYS A 42 -17.711 -0.820 7.468 1.00 0.00 N ATOM 0 H LYS A 42 -13.871 1.791 2.921 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.251 3.461 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.405 2.263 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.692 3.375 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.382 1.857 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.162 0.798 3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.287 0.360 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.554 1.378 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.124 -0.248 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.764 -1.339 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.358 -1.633 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.887 -1.062 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.205 -0.005 7.885 1.00 0.00 H new ATOM 633 N LYS A 43 -13.895 5.081 2.464 1.00 0.00 N ATOM 634 CA LYS A 43 -13.191 6.358 2.470 1.00 0.00 C ATOM 635 C LYS A 43 -12.381 6.527 3.752 1.00 0.00 C ATOM 636 O LYS A 43 -12.455 7.563 4.413 1.00 0.00 O ATOM 637 CB LYS A 43 -14.185 7.513 2.327 1.00 0.00 C ATOM 638 CG LYS A 43 -14.758 7.651 0.927 1.00 0.00 C ATOM 639 CD LYS A 43 -15.955 6.738 0.722 1.00 0.00 C ATOM 640 CE LYS A 43 -16.474 6.812 -0.706 1.00 0.00 C ATOM 641 NZ LYS A 43 -17.893 6.370 -0.804 1.00 0.00 N ATOM 0 H LYS A 43 -13.827 4.567 1.586 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.505 6.370 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.003 7.367 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.689 8.444 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.055 8.686 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.988 7.414 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.675 5.711 0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.750 7.017 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.386 7.835 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.854 6.189 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.209 6.435 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.973 5.385 -0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.489 6.981 -0.209 1.00 0.00 H new ATOM 655 N TYR A 44 -11.609 5.503 4.097 1.00 0.00 N ATOM 656 CA TYR A 44 -10.786 5.537 5.301 1.00 0.00 C ATOM 657 C TYR A 44 -9.325 5.805 4.954 1.00 0.00 C ATOM 658 O TYR A 44 -8.714 5.070 4.177 1.00 0.00 O ATOM 659 CB TYR A 44 -10.907 4.218 6.065 1.00 0.00 C ATOM 660 CG TYR A 44 -12.163 4.115 6.900 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.521 5.129 7.780 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.992 3.004 6.810 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.667 5.039 8.546 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.141 2.906 7.571 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.475 3.926 8.437 1.00 0.00 C ATOM 666 OH TYR A 44 -15.618 3.832 9.198 1.00 0.00 O ATOM 0 H TYR A 44 -11.535 4.639 3.560 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.145 6.349 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.885 3.392 5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.039 4.103 6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.892 6.003 7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.734 2.203 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.929 5.836 9.227 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.774 2.035 7.488 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.074 2.987 9.001 1.00 0.00 H new ATOM 676 N HIS A 45 -8.769 6.862 5.537 1.00 0.00 N ATOM 677 CA HIS A 45 -7.378 7.228 5.292 1.00 0.00 C ATOM 678 C HIS A 45 -6.432 6.174 5.859 1.00 0.00 C ATOM 679 O HIS A 45 -6.337 5.999 7.074 1.00 0.00 O ATOM 680 CB HIS A 45 -7.071 8.592 5.910 1.00 0.00 C ATOM 681 CG HIS A 45 -7.362 9.743 4.997 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.420 10.290 4.152 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.500 10.449 4.797 1.00 0.00 C ATOM 684 CE1 HIS A 45 -6.965 11.285 3.474 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.227 11.401 3.847 1.00 0.00 N ATOM 0 H HIS A 45 -9.260 7.480 6.183 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.227 7.284 4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.654 8.707 6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.020 8.623 6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.447 10.292 5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.464 11.899 2.740 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.891 12.087 3.487 1.00 0.00 H new ATOM 694 N VAL A 46 -5.733 5.474 4.972 1.00 0.00 N ATOM 695 CA VAL A 46 -4.793 4.438 5.383 1.00 0.00 C ATOM 696 C VAL A 46 -3.352 4.909 5.227 1.00 0.00 C ATOM 697 O VAL A 46 -2.853 5.050 4.111 1.00 0.00 O ATOM 698 CB VAL A 46 -4.990 3.146 4.569 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.023 2.068 5.035 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.429 2.664 4.674 1.00 0.00 C ATOM 0 H VAL A 46 -5.800 5.606 3.963 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.992 4.230 6.434 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.779 3.362 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.177 1.162 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.999 2.416 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.199 1.852 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.550 1.750 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.671 2.465 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.099 3.432 4.287 1.00 0.00 H new ATOM 710 N GLN A 47 -2.689 5.152 6.354 1.00 0.00 N ATOM 711 CA GLN A 47 -1.304 5.608 6.341 1.00 0.00 C ATOM 712 C GLN A 47 -0.343 4.433 6.487 1.00 0.00 C ATOM 713 O GLN A 47 -0.282 3.793 7.537 1.00 0.00 O ATOM 714 CB GLN A 47 -1.068 6.618 7.466 1.00 0.00 C ATOM 715 CG GLN A 47 0.315 7.248 7.437 1.00 0.00 C ATOM 716 CD GLN A 47 0.333 8.644 8.027 1.00 0.00 C ATOM 717 OE1 GLN A 47 -0.467 9.501 7.649 1.00 0.00 O ATOM 718 NE2 GLN A 47 1.248 8.881 8.960 1.00 0.00 N ATOM 0 H GLN A 47 -3.088 5.041 7.286 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.115 6.091 5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.819 7.406 7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.212 6.121 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.010 6.615 7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.670 7.288 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.891 8.142 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.308 9.802 9.393 1.00 0.00 H new ATOM 727 N VAL A 48 0.407 4.154 5.425 1.00 0.00 N ATOM 728 CA VAL A 48 1.367 3.056 5.435 1.00 0.00 C ATOM 729 C VAL A 48 2.781 3.565 5.690 1.00 0.00 C ATOM 730 O VAL A 48 3.239 4.511 5.048 1.00 0.00 O ATOM 731 CB VAL A 48 1.344 2.280 4.105 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.392 1.177 4.112 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.041 1.708 3.845 1.00 0.00 C ATOM 0 H VAL A 48 0.368 4.673 4.548 1.00 0.00 H new ATOM 0 HA VAL A 48 1.074 2.386 6.243 1.00 0.00 H new ATOM 0 HB VAL A 48 1.584 2.972 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.361 0.640 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.381 1.615 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.186 0.485 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.038 1.163 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.313 1.030 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.766 2.520 3.793 1.00 0.00 H new ATOM 743 N THR A 49 3.471 2.930 6.632 1.00 0.00 N ATOM 744 CA THR A 49 4.834 3.318 6.973 1.00 0.00 C ATOM 745 C THR A 49 5.793 2.142 6.829 1.00 0.00 C ATOM 746 O THR A 49 5.745 1.190 7.608 1.00 0.00 O ATOM 747 CB THR A 49 4.920 3.862 8.412 1.00 0.00 C ATOM 748 OG1 THR A 49 3.979 4.926 8.590 1.00 0.00 O ATOM 749 CG2 THR A 49 6.323 4.362 8.719 1.00 0.00 C ATOM 0 H THR A 49 3.108 2.145 7.172 1.00 0.00 H new ATOM 0 HA THR A 49 5.122 4.106 6.276 1.00 0.00 H new ATOM 0 HB THR A 49 4.683 3.049 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.039 5.265 9.507 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.359 4.741 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.033 3.542 8.611 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.584 5.162 8.026 1.00 0.00 H new ATOM 757 N ILE A 50 6.664 2.214 5.827 1.00 0.00 N ATOM 758 CA ILE A 50 7.635 1.156 5.582 1.00 0.00 C ATOM 759 C ILE A 50 8.950 1.439 6.301 1.00 0.00 C ATOM 760 O ILE A 50 9.585 2.469 6.075 1.00 0.00 O ATOM 761 CB ILE A 50 7.913 0.984 4.077 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.613 0.686 3.327 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.928 -0.126 3.850 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.736 0.827 1.826 1.00 0.00 C ATOM 0 H ILE A 50 6.716 2.994 5.172 1.00 0.00 H new ATOM 0 HA ILE A 50 7.202 0.234 5.971 1.00 0.00 H new ATOM 0 HB ILE A 50 8.328 1.915 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.291 -0.328 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.834 1.359 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.114 -0.236 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.860 0.124 4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.538 -1.063 4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.777 0.601 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.028 1.848 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.492 0.134 1.456 1.00 0.00 H new ATOM 776 N LYS A 51 9.354 0.517 7.169 1.00 0.00 N ATOM 777 CA LYS A 51 10.594 0.664 7.920 1.00 0.00 C ATOM 778 C LYS A 51 11.716 -0.151 7.284 1.00 0.00 C ATOM 779 O LYS A 51 11.519 -1.307 6.909 1.00 0.00 O ATOM 780 CB LYS A 51 10.391 0.226 9.372 1.00 0.00 C ATOM 781 CG LYS A 51 9.353 1.048 10.116 1.00 0.00 C ATOM 782 CD LYS A 51 9.663 1.126 11.602 1.00 0.00 C ATOM 783 CE LYS A 51 9.353 -0.187 12.305 1.00 0.00 C ATOM 784 NZ LYS A 51 7.933 -0.257 12.747 1.00 0.00 N ATOM 0 H LYS A 51 8.839 -0.341 7.369 1.00 0.00 H new ATOM 0 HA LYS A 51 10.878 1.716 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.092 -0.822 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.342 0.294 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.316 2.054 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.367 0.607 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.715 1.376 11.743 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.081 1.929 12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.566 -1.018 11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.008 -0.300 13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.896 -0.389 13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.447 0.627 12.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.463 -1.058 12.279 1.00 0.00 H new ATOM 798 N ARG A 52 12.891 0.457 7.168 1.00 0.00 N ATOM 799 CA ARG A 52 14.044 -0.213 6.578 1.00 0.00 C ATOM 800 C ARG A 52 15.072 -0.570 7.648 1.00 0.00 C ATOM 801 O ARG A 52 14.864 -0.310 8.833 1.00 0.00 O ATOM 802 CB ARG A 52 14.688 0.676 5.513 1.00 0.00 C ATOM 803 CG ARG A 52 13.723 1.120 4.426 1.00 0.00 C ATOM 804 CD ARG A 52 14.460 1.540 3.164 1.00 0.00 C ATOM 805 NE ARG A 52 14.853 2.946 3.201 1.00 0.00 N ATOM 806 CZ ARG A 52 15.802 3.464 2.430 1.00 0.00 C ATOM 807 NH1 ARG A 52 16.452 2.697 1.566 1.00 0.00 N ATOM 808 NH2 ARG A 52 16.103 4.753 2.522 1.00 0.00 N ATOM 0 H ARG A 52 13.070 1.413 7.475 1.00 0.00 H new ATOM 0 HA ARG A 52 13.697 -1.134 6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 52 15.110 1.558 5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.516 0.136 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.036 0.306 4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.120 1.952 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.347 0.919 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.823 1.364 2.297 1.00 0.00 H new ATOM 0 HE ARG A 52 14.372 3.564 3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.224 1.706 1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.180 3.098 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.605 5.347 3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.832 5.150 1.929 1.00 0.00 H new ATOM 822 N ARG A 53 16.180 -1.166 7.221 1.00 0.00 N ATOM 823 CA ARG A 53 17.239 -1.560 8.142 1.00 0.00 C ATOM 824 C ARG A 53 17.986 -0.337 8.667 1.00 0.00 C ATOM 825 O ARG A 53 17.866 0.759 8.119 1.00 0.00 O ATOM 826 CB ARG A 53 18.219 -2.510 7.450 1.00 0.00 C ATOM 827 CG ARG A 53 17.627 -3.876 7.141 1.00 0.00 C ATOM 828 CD ARG A 53 18.709 -4.938 7.025 1.00 0.00 C ATOM 829 NE ARG A 53 18.994 -5.573 8.309 1.00 0.00 N ATOM 830 CZ ARG A 53 18.231 -6.519 8.846 1.00 0.00 C ATOM 831 NH1 ARG A 53 17.144 -6.937 8.213 1.00 0.00 N ATOM 832 NH2 ARG A 53 18.556 -7.048 10.019 1.00 0.00 N ATOM 0 H ARG A 53 16.368 -1.387 6.243 1.00 0.00 H new ATOM 0 HA ARG A 53 16.779 -2.074 8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.561 -2.053 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.096 -2.638 8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.924 -4.155 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.062 -3.827 6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.397 -5.696 6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.620 -4.485 6.634 1.00 0.00 H new ATOM 0 HE ARG A 53 19.824 -5.274 8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.892 -6.532 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.560 -7.663 8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.392 -6.728 10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.970 -7.774 10.431 1.00 0.00 H new ATOM 846 N LYS A 54 18.755 -0.533 9.732 1.00 0.00 N ATOM 847 CA LYS A 54 19.522 0.553 10.332 1.00 0.00 C ATOM 848 C LYS A 54 20.627 1.024 9.391 1.00 0.00 C ATOM 849 O LYS A 54 20.876 2.222 9.262 1.00 0.00 O ATOM 850 CB LYS A 54 20.129 0.101 11.662 1.00 0.00 C ATOM 851 CG LYS A 54 19.231 0.358 12.859 1.00 0.00 C ATOM 852 CD LYS A 54 19.508 1.715 13.483 1.00 0.00 C ATOM 853 CE LYS A 54 19.014 2.848 12.596 1.00 0.00 C ATOM 854 NZ LYS A 54 20.071 3.321 11.661 1.00 0.00 N ATOM 0 H LYS A 54 18.864 -1.434 10.198 1.00 0.00 H new ATOM 0 HA LYS A 54 18.844 1.387 10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 54 20.351 -0.965 11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.077 0.617 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.187 0.305 12.550 1.00 0.00 H new ATOM 0 HG3 LYS A 54 19.383 -0.424 13.603 1.00 0.00 H new ATOM 0 HD2 LYS A 54 19.021 1.775 14.457 1.00 0.00 H new ATOM 0 HD3 LYS A 54 20.579 1.826 13.654 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.148 2.512 12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 54 18.682 3.679 13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.217 4.343 11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.959 2.817 11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.776 3.135 10.681 1.00 0.00 H new ATOM 868 N ASP A 55 21.284 0.074 8.735 1.00 0.00 N ATOM 869 CA ASP A 55 22.360 0.392 7.803 1.00 0.00 C ATOM 870 C ASP A 55 22.073 -0.190 6.423 1.00 0.00 C ATOM 871 O ASP A 55 22.976 -0.678 5.744 1.00 0.00 O ATOM 872 CB ASP A 55 23.693 -0.143 8.329 1.00 0.00 C ATOM 873 CG ASP A 55 24.872 0.696 7.876 1.00 0.00 C ATOM 874 OD1 ASP A 55 24.798 1.937 7.998 1.00 0.00 O ATOM 875 OD2 ASP A 55 25.868 0.112 7.399 1.00 0.00 O ATOM 0 H ASP A 55 21.090 -0.923 8.831 1.00 0.00 H new ATOM 0 HA ASP A 55 22.422 1.477 7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 55 23.666 -0.169 9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 55 23.829 -1.170 7.989 1.00 0.00 H new ATOM 880 N ALA A 56 20.810 -0.137 6.014 1.00 0.00 N ATOM 881 CA ALA A 56 20.404 -0.657 4.714 1.00 0.00 C ATOM 882 C ALA A 56 21.199 -0.004 3.589 1.00 0.00 C ATOM 883 O ALA A 56 21.287 1.221 3.510 1.00 0.00 O ATOM 884 CB ALA A 56 18.913 -0.445 4.502 1.00 0.00 C ATOM 0 H ALA A 56 20.049 0.261 6.565 1.00 0.00 H new ATOM 0 HA ALA A 56 20.613 -1.727 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.625 -0.838 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.357 -0.965 5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.687 0.621 4.545 1.00 0.00 H new ATOM 890 N GLU A 57 21.776 -0.829 2.721 1.00 0.00 N ATOM 891 CA GLU A 57 22.564 -0.330 1.601 1.00 0.00 C ATOM 892 C GLU A 57 21.732 -0.296 0.322 1.00 0.00 C ATOM 893 O GLU A 57 22.227 -0.608 -0.760 1.00 0.00 O ATOM 894 CB GLU A 57 23.804 -1.202 1.392 1.00 0.00 C ATOM 895 CG GLU A 57 23.484 -2.667 1.151 1.00 0.00 C ATOM 896 CD GLU A 57 24.729 -3.520 1.002 1.00 0.00 C ATOM 897 OE1 GLU A 57 25.340 -3.491 -0.088 1.00 0.00 O ATOM 898 OE2 GLU A 57 25.094 -4.214 1.973 1.00 0.00 O ATOM 0 H GLU A 57 21.712 -1.846 2.772 1.00 0.00 H new ATOM 0 HA GLU A 57 22.879 0.687 1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 57 24.369 -0.818 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 57 24.448 -1.119 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.886 -3.045 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 57 22.876 -2.759 0.251 1.00 0.00 H new ATOM 905 N GLN A 58 20.466 0.086 0.457 1.00 0.00 N ATOM 906 CA GLN A 58 19.565 0.159 -0.687 1.00 0.00 C ATOM 907 C GLN A 58 19.048 1.581 -0.882 1.00 0.00 C ATOM 908 O GLN A 58 19.167 2.423 0.008 1.00 0.00 O ATOM 909 CB GLN A 58 18.390 -0.802 -0.500 1.00 0.00 C ATOM 910 CG GLN A 58 18.804 -2.263 -0.436 1.00 0.00 C ATOM 911 CD GLN A 58 19.508 -2.727 -1.696 1.00 0.00 C ATOM 912 OE1 GLN A 58 18.918 -2.754 -2.776 1.00 0.00 O ATOM 913 NE2 GLN A 58 20.777 -3.095 -1.564 1.00 0.00 N ATOM 0 H GLN A 58 20.042 0.349 1.346 1.00 0.00 H new ATOM 0 HA GLN A 58 20.124 -0.131 -1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 58 17.861 -0.542 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.687 -0.668 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 58 19.463 -2.413 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 58 17.921 -2.880 -0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 58 21.227 -3.057 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 58 21.302 -3.416 -2.377 1.00 0.00 H new ATOM 922 N SER A 59 18.475 1.842 -2.053 1.00 0.00 N ATOM 923 CA SER A 59 17.944 3.163 -2.367 1.00 0.00 C ATOM 924 C SER A 59 16.461 3.248 -2.021 1.00 0.00 C ATOM 925 O SER A 59 15.768 2.233 -1.958 1.00 0.00 O ATOM 926 CB SER A 59 18.153 3.481 -3.848 1.00 0.00 C ATOM 927 OG SER A 59 19.531 3.486 -4.180 1.00 0.00 O ATOM 0 H SER A 59 18.367 1.156 -2.800 1.00 0.00 H new ATOM 0 HA SER A 59 18.482 3.896 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.632 2.744 -4.458 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.717 4.453 -4.079 1.00 0.00 H new ATOM 0 HG SER A 59 19.637 3.690 -5.133 1.00 0.00 H new ATOM 933 N GLU A 60 15.981 4.467 -1.797 1.00 0.00 N ATOM 934 CA GLU A 60 14.580 4.685 -1.456 1.00 0.00 C ATOM 935 C GLU A 60 13.676 4.375 -2.646 1.00 0.00 C ATOM 936 O GLU A 60 12.569 3.863 -2.480 1.00 0.00 O ATOM 937 CB GLU A 60 14.361 6.129 -0.999 1.00 0.00 C ATOM 938 CG GLU A 60 14.612 7.157 -2.090 1.00 0.00 C ATOM 939 CD GLU A 60 13.402 7.372 -2.978 1.00 0.00 C ATOM 940 OE1 GLU A 60 12.271 7.133 -2.507 1.00 0.00 O ATOM 941 OE2 GLU A 60 13.586 7.780 -4.144 1.00 0.00 O ATOM 0 H GLU A 60 16.541 5.318 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 60 14.323 4.010 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.338 6.236 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.019 6.338 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.895 8.105 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.454 6.834 -2.702 1.00 0.00 H new ATOM 948 N GLU A 61 14.156 4.690 -3.845 1.00 0.00 N ATOM 949 CA GLU A 61 13.391 4.446 -5.062 1.00 0.00 C ATOM 950 C GLU A 61 12.808 3.035 -5.065 1.00 0.00 C ATOM 951 O GLU A 61 11.691 2.816 -5.530 1.00 0.00 O ATOM 952 CB GLU A 61 14.275 4.647 -6.295 1.00 0.00 C ATOM 953 CG GLU A 61 14.324 6.085 -6.781 1.00 0.00 C ATOM 954 CD GLU A 61 13.025 6.528 -7.427 1.00 0.00 C ATOM 955 OE1 GLU A 61 12.547 5.822 -8.340 1.00 0.00 O ATOM 956 OE2 GLU A 61 12.487 7.579 -7.020 1.00 0.00 O ATOM 0 H GLU A 61 15.071 5.114 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 61 12.568 5.160 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.287 4.316 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.909 4.012 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.549 6.741 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.138 6.195 -7.498 1.00 0.00 H new ATOM 963 N GLU A 62 13.575 2.084 -4.542 1.00 0.00 N ATOM 964 CA GLU A 62 13.135 0.694 -4.486 1.00 0.00 C ATOM 965 C GLU A 62 11.991 0.526 -3.491 1.00 0.00 C ATOM 966 O GLU A 62 11.123 -0.331 -3.663 1.00 0.00 O ATOM 967 CB GLU A 62 14.301 -0.218 -4.098 1.00 0.00 C ATOM 968 CG GLU A 62 15.175 -0.623 -5.273 1.00 0.00 C ATOM 969 CD GLU A 62 15.930 -1.913 -5.021 1.00 0.00 C ATOM 970 OE1 GLU A 62 15.288 -2.984 -5.014 1.00 0.00 O ATOM 971 OE2 GLU A 62 17.163 -1.851 -4.830 1.00 0.00 O ATOM 0 H GLU A 62 14.503 2.250 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 62 12.777 0.412 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.917 0.290 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.906 -1.116 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.553 -0.738 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.887 0.175 -5.483 1.00 0.00 H new ATOM 978 N THR A 63 11.994 1.351 -2.448 1.00 0.00 N ATOM 979 CA THR A 63 10.959 1.293 -1.424 1.00 0.00 C ATOM 980 C THR A 63 9.601 1.691 -1.992 1.00 0.00 C ATOM 981 O THR A 63 8.567 1.176 -1.569 1.00 0.00 O ATOM 982 CB THR A 63 11.294 2.212 -0.234 1.00 0.00 C ATOM 983 OG1 THR A 63 12.627 1.958 0.221 1.00 0.00 O ATOM 984 CG2 THR A 63 10.313 1.997 0.908 1.00 0.00 C ATOM 0 H THR A 63 12.703 2.068 -2.291 1.00 0.00 H new ATOM 0 HA THR A 63 10.916 0.261 -1.076 1.00 0.00 H new ATOM 0 HB THR A 63 11.216 3.246 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.949 2.727 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.569 2.657 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.302 2.220 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.363 0.960 1.240 1.00 0.00 H new ATOM 992 N GLU A 64 9.613 2.609 -2.954 1.00 0.00 N ATOM 993 CA GLU A 64 8.381 3.075 -3.579 1.00 0.00 C ATOM 994 C GLU A 64 7.563 1.901 -4.111 1.00 0.00 C ATOM 995 O GLU A 64 6.347 1.849 -3.933 1.00 0.00 O ATOM 996 CB GLU A 64 8.697 4.047 -4.718 1.00 0.00 C ATOM 997 CG GLU A 64 8.852 5.489 -4.262 1.00 0.00 C ATOM 998 CD GLU A 64 9.570 6.350 -5.283 1.00 0.00 C ATOM 999 OE1 GLU A 64 9.177 6.318 -6.468 1.00 0.00 O ATOM 1000 OE2 GLU A 64 10.525 7.055 -4.897 1.00 0.00 O ATOM 0 H GLU A 64 10.461 3.044 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 64 7.793 3.592 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.616 3.730 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.902 3.993 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.867 5.912 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.403 5.512 -3.322 1.00 0.00 H new ATOM 1007 N GLU A 65 8.241 0.962 -4.763 1.00 0.00 N ATOM 1008 CA GLU A 65 7.577 -0.209 -5.322 1.00 0.00 C ATOM 1009 C GLU A 65 6.499 -0.727 -4.374 1.00 0.00 C ATOM 1010 O GLU A 65 5.341 -0.886 -4.762 1.00 0.00 O ATOM 1011 CB GLU A 65 8.597 -1.315 -5.604 1.00 0.00 C ATOM 1012 CG GLU A 65 9.197 -1.247 -6.998 1.00 0.00 C ATOM 1013 CD GLU A 65 9.749 0.126 -7.330 1.00 0.00 C ATOM 1014 OE1 GLU A 65 8.977 0.971 -7.828 1.00 0.00 O ATOM 1015 OE2 GLU A 65 10.953 0.354 -7.091 1.00 0.00 O ATOM 0 H GLU A 65 9.249 0.989 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 65 7.103 0.086 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.399 -1.254 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.116 -2.284 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.995 -1.985 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.436 -1.515 -7.731 1.00 0.00 H new ATOM 1022 N ILE A 66 6.888 -0.989 -3.131 1.00 0.00 N ATOM 1023 CA ILE A 66 5.956 -1.488 -2.128 1.00 0.00 C ATOM 1024 C ILE A 66 4.583 -0.842 -2.284 1.00 0.00 C ATOM 1025 O ILE A 66 3.616 -1.500 -2.666 1.00 0.00 O ATOM 1026 CB ILE A 66 6.473 -1.229 -0.700 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.816 -1.931 -0.486 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.454 -1.700 0.326 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.733 -3.438 -0.589 1.00 0.00 C ATOM 0 H ILE A 66 7.843 -0.864 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 66 5.870 -2.563 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 66 6.620 -0.157 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.530 -1.563 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.205 -1.663 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.834 -1.510 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.518 -1.160 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.279 -2.768 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.721 -3.869 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.044 -3.817 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.375 -3.716 -1.580 1.00 0.00 H new ATOM 1041 N PHE A 67 4.507 0.451 -1.987 1.00 0.00 N ATOM 1042 CA PHE A 67 3.253 1.187 -2.095 1.00 0.00 C ATOM 1043 C PHE A 67 2.566 0.899 -3.426 1.00 0.00 C ATOM 1044 O PHE A 67 1.354 0.689 -3.479 1.00 0.00 O ATOM 1045 CB PHE A 67 3.505 2.690 -1.953 1.00 0.00 C ATOM 1046 CG PHE A 67 4.296 3.052 -0.729 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.729 2.957 0.532 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.607 3.487 -0.839 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.455 3.291 1.660 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.338 3.821 0.286 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.761 3.722 1.537 1.00 0.00 C ATOM 0 H PHE A 67 5.299 1.011 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 67 2.597 0.858 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.034 3.047 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.547 3.210 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.709 2.618 0.635 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.063 3.566 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.001 3.215 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.359 4.159 0.187 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.330 3.981 2.417 1.00 0.00 H new ATOM 1061 N ASN A 68 3.349 0.890 -4.500 1.00 0.00 N ATOM 1062 CA ASN A 68 2.817 0.629 -5.832 1.00 0.00 C ATOM 1063 C ASN A 68 2.176 -0.754 -5.901 1.00 0.00 C ATOM 1064 O ASN A 68 1.122 -0.931 -6.510 1.00 0.00 O ATOM 1065 CB ASN A 68 3.927 0.742 -6.879 1.00 0.00 C ATOM 1066 CG ASN A 68 3.692 -0.166 -8.071 1.00 0.00 C ATOM 1067 OD1 ASN A 68 2.604 -0.184 -8.646 1.00 0.00 O ATOM 1068 ND2 ASN A 68 4.714 -0.925 -8.447 1.00 0.00 N ATOM 0 H ASN A 68 4.354 1.061 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 68 2.051 1.376 -6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.997 1.775 -7.221 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.883 0.493 -6.419 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.615 -1.556 -9.242 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.598 -0.877 -7.941 1.00 0.00 H new ATOM 1075 N GLN A 69 2.821 -1.731 -5.271 1.00 0.00 N ATOM 1076 CA GLN A 69 2.315 -3.098 -5.260 1.00 0.00 C ATOM 1077 C GLN A 69 0.913 -3.154 -4.663 1.00 0.00 C ATOM 1078 O GLN A 69 0.070 -3.935 -5.106 1.00 0.00 O ATOM 1079 CB GLN A 69 3.256 -4.007 -4.468 1.00 0.00 C ATOM 1080 CG GLN A 69 4.700 -3.946 -4.940 1.00 0.00 C ATOM 1081 CD GLN A 69 5.490 -5.184 -4.562 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.959 -5.314 -3.431 1.00 0.00 O ATOM 1083 NE2 GLN A 69 5.641 -6.102 -5.509 1.00 0.00 N ATOM 0 H GLN A 69 3.695 -1.601 -4.762 1.00 0.00 H new ATOM 0 HA GLN A 69 2.266 -3.449 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.215 -3.730 -3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.902 -5.035 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.719 -3.824 -6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.182 -3.067 -4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.235 -5.953 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.163 -6.956 -5.313 1.00 0.00 H new ATOM 1092 N ILE A 70 0.670 -2.322 -3.656 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.630 -2.278 -2.999 1.00 0.00 C ATOM 1094 C ILE A 70 -1.651 -1.529 -3.850 1.00 0.00 C ATOM 1095 O ILE A 70 -2.854 -1.772 -3.753 1.00 0.00 O ATOM 1096 CB ILE A 70 -0.540 -1.606 -1.616 1.00 0.00 C ATOM 1097 CG1 ILE A 70 0.363 -2.420 -0.687 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.927 -1.450 -1.011 1.00 0.00 C ATOM 1099 CD1 ILE A 70 0.781 -1.671 0.559 1.00 0.00 C ATOM 0 H ILE A 70 1.356 -1.669 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.954 -3.311 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.105 -0.614 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.158 -3.332 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.255 -2.724 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.846 -0.974 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.542 -0.833 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.388 -2.432 -0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.419 -2.309 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.330 -0.773 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.105 -1.391 1.129 1.00 0.00 H new ATOM 1111 N LEU A 71 -1.162 -0.617 -4.684 1.00 0.00 N ATOM 1112 CA LEU A 71 -2.031 0.167 -5.554 1.00 0.00 C ATOM 1113 C LEU A 71 -2.449 -0.642 -6.778 1.00 0.00 C ATOM 1114 O LEU A 71 -3.489 -0.380 -7.380 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.322 1.449 -5.994 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.225 2.581 -6.485 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.679 3.447 -5.320 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.505 3.423 -7.529 1.00 0.00 C ATOM 0 H LEU A 71 -0.169 -0.403 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.927 0.429 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.732 1.820 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.622 1.198 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.108 2.140 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.321 4.247 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.234 2.837 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.808 3.879 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.163 4.224 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.604 3.854 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.232 2.795 -8.377 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.631 -1.626 -7.138 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.918 -2.474 -8.289 1.00 0.00 C ATOM 1132 C GLN A 72 -3.202 -3.267 -8.075 1.00 0.00 C ATOM 1133 O GLN A 72 -3.757 -3.838 -9.015 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.752 -3.429 -8.549 1.00 0.00 C ATOM 1135 CG GLN A 72 0.417 -2.780 -9.273 1.00 0.00 C ATOM 1136 CD GLN A 72 0.124 -2.524 -10.739 1.00 0.00 C ATOM 1137 OE1 GLN A 72 0.381 -3.373 -11.593 1.00 0.00 O ATOM 1138 NE2 GLN A 72 -0.415 -1.348 -11.038 1.00 0.00 N ATOM 0 H GLN A 72 -0.765 -1.855 -6.650 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.052 -1.830 -9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.402 -3.829 -7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.110 -4.274 -9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.664 -1.837 -8.785 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.294 -3.422 -9.188 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.611 -0.674 -10.298 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.633 -1.119 -12.008 1.00 0.00 H new ATOM 1147 N THR A 73 -3.672 -3.299 -6.831 1.00 0.00 N ATOM 1148 CA THR A 73 -4.890 -4.024 -6.493 1.00 0.00 C ATOM 1149 C THR A 73 -6.101 -3.098 -6.501 1.00 0.00 C ATOM 1150 O THR A 73 -7.238 -3.548 -6.640 1.00 0.00 O ATOM 1151 CB THR A 73 -4.780 -4.694 -5.110 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.856 -3.704 -4.079 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.474 -5.464 -4.985 1.00 0.00 C ATOM 0 H THR A 73 -3.227 -2.831 -6.042 1.00 0.00 H new ATOM 0 HA THR A 73 -5.020 -4.795 -7.253 1.00 0.00 H new ATOM 0 HB THR A 73 -5.608 -5.394 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.060 -3.133 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.418 -5.929 -4.001 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.432 -6.236 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.635 -4.780 -5.111 1.00 0.00 H new ATOM 1161 N MET A 74 -5.849 -1.801 -6.350 1.00 0.00 N ATOM 1162 CA MET A 74 -6.920 -0.811 -6.342 1.00 0.00 C ATOM 1163 C MET A 74 -6.609 0.334 -7.300 1.00 0.00 C ATOM 1164 O MET A 74 -6.778 1.510 -6.976 1.00 0.00 O ATOM 1165 CB MET A 74 -7.129 -0.266 -4.928 1.00 0.00 C ATOM 1166 CG MET A 74 -5.843 -0.149 -4.126 1.00 0.00 C ATOM 1167 SD MET A 74 -6.139 0.257 -2.394 1.00 0.00 S ATOM 1168 CE MET A 74 -5.441 -1.180 -1.585 1.00 0.00 C ATOM 0 H MET A 74 -4.914 -1.412 -6.232 1.00 0.00 H new ATOM 0 HA MET A 74 -7.836 -1.300 -6.674 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.599 0.716 -4.991 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.822 -0.917 -4.395 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.295 -1.089 -4.186 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.210 0.618 -4.572 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.774 -0.859 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.243 -1.787 -1.166 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.881 -1.770 -2.311 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.142 -0.014 -8.509 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.798 0.971 -9.538 1.00 0.00 C ATOM 1180 C PRO A 75 -7.028 1.670 -10.106 1.00 0.00 C ATOM 1181 O PRO A 75 -6.913 2.578 -10.930 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.113 0.130 -10.619 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.665 -1.241 -10.438 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.915 -1.396 -8.963 1.00 0.00 C ATOM 0 HA PRO A 75 -5.174 1.772 -9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.328 0.515 -11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.029 0.139 -10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.587 -1.368 -11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.963 -1.994 -10.796 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.779 -2.031 -8.766 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.064 -1.851 -8.457 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.204 1.242 -9.662 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.456 1.828 -10.125 1.00 0.00 C ATOM 1194 C ASP A 76 -10.364 2.172 -8.948 1.00 0.00 C ATOM 1195 O ASP A 76 -11.475 2.669 -9.133 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.174 0.866 -11.074 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.291 -0.533 -10.501 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.304 -1.293 -10.587 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -11.369 -0.866 -9.967 1.00 0.00 O ATOM 0 H ASP A 76 -8.317 0.491 -8.981 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.221 2.748 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.170 1.251 -11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.635 0.824 -12.020 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.883 1.903 -7.739 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.651 2.184 -6.532 1.00 0.00 C ATOM 1206 C ILE A 77 -9.854 3.049 -5.562 1.00 0.00 C ATOM 1207 O ILE A 77 -10.419 3.686 -4.674 1.00 0.00 O ATOM 1208 CB ILE A 77 -11.072 0.886 -5.818 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.239 1.136 -4.317 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -10.049 -0.212 -6.067 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.693 -0.085 -3.549 1.00 0.00 C ATOM 0 H ILE A 77 -8.966 1.491 -7.569 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.545 2.723 -6.845 1.00 0.00 H new ATOM 0 HB ILE A 77 -12.030 0.560 -6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.290 1.482 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.962 1.938 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.361 -1.123 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.975 -0.404 -7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.077 0.103 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.790 0.165 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.657 -0.419 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.959 -0.883 -3.667 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.537 3.069 -5.741 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.661 3.860 -4.884 1.00 0.00 C ATOM 1225 C ALA A 78 -6.487 4.427 -5.674 1.00 0.00 C ATOM 1226 O ALA A 78 -5.987 3.795 -6.605 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.160 3.017 -3.721 1.00 0.00 C ATOM 0 H ALA A 78 -8.053 2.547 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.237 4.697 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.507 3.620 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.009 2.665 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.604 2.161 -4.105 1.00 0.00 H new ATOM 1233 N THR A 79 -6.051 5.626 -5.298 1.00 0.00 N ATOM 1234 CA THR A 79 -4.936 6.280 -5.972 1.00 0.00 C ATOM 1235 C THR A 79 -3.951 6.864 -4.966 1.00 0.00 C ATOM 1236 O THR A 79 -4.292 7.082 -3.803 1.00 0.00 O ATOM 1237 CB THR A 79 -5.426 7.403 -6.906 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.315 7.982 -7.600 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.157 8.480 -6.120 1.00 0.00 C ATOM 0 H THR A 79 -6.453 6.164 -4.530 1.00 0.00 H new ATOM 0 HA THR A 79 -4.433 5.517 -6.566 1.00 0.00 H new ATOM 0 HB THR A 79 -6.119 6.970 -7.627 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.635 8.694 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.494 9.262 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.019 8.042 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.484 8.910 -5.378 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.729 7.117 -5.421 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.693 7.676 -4.560 1.00 0.00 C ATOM 1249 C PHE A 80 -2.131 9.021 -3.987 1.00 0.00 C ATOM 1250 O PHE A 80 -2.107 10.040 -4.677 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.387 7.842 -5.338 1.00 0.00 C ATOM 1252 CG PHE A 80 0.519 6.646 -5.251 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.099 6.287 -4.046 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.789 5.883 -6.375 1.00 0.00 C ATOM 1255 CE1 PHE A 80 1.932 5.187 -3.962 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.621 4.782 -6.297 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.194 4.434 -5.090 1.00 0.00 C ATOM 0 H PHE A 80 -2.431 6.944 -6.381 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.529 6.984 -3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.619 8.036 -6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.142 8.717 -4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.898 6.873 -3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.345 6.151 -7.322 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.377 4.917 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.823 4.194 -7.180 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.846 3.575 -5.028 1.00 0.00 H new ATOM 1267 N SER A 81 -2.531 9.015 -2.719 1.00 0.00 N ATOM 1268 CA SER A 81 -2.979 10.233 -2.053 1.00 0.00 C ATOM 1269 C SER A 81 -1.796 11.139 -1.725 1.00 0.00 C ATOM 1270 O SER A 81 -1.753 12.297 -2.139 1.00 0.00 O ATOM 1271 CB SER A 81 -3.743 9.889 -0.773 1.00 0.00 C ATOM 1272 OG SER A 81 -4.257 11.056 -0.157 1.00 0.00 O ATOM 0 H SER A 81 -2.554 8.181 -2.133 1.00 0.00 H new ATOM 0 HA SER A 81 -3.645 10.765 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.561 9.207 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.082 9.369 -0.080 1.00 0.00 H new ATOM 0 HG SER A 81 -4.742 10.809 0.658 1.00 0.00 H new ATOM 1278 N SER A 82 -0.837 10.602 -0.977 1.00 0.00 N ATOM 1279 CA SER A 82 0.346 11.361 -0.589 1.00 0.00 C ATOM 1280 C SER A 82 1.619 10.659 -1.052 1.00 0.00 C ATOM 1281 O SER A 82 2.078 9.704 -0.425 1.00 0.00 O ATOM 1282 CB SER A 82 0.379 11.553 0.928 1.00 0.00 C ATOM 1283 OG SER A 82 1.341 12.525 1.299 1.00 0.00 O ATOM 0 H SER A 82 -0.856 9.644 -0.628 1.00 0.00 H new ATOM 0 HA SER A 82 0.295 12.337 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.606 11.859 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.610 10.604 1.413 1.00 0.00 H new ATOM 0 HG SER A 82 1.341 12.630 2.273 1.00 0.00 H new ATOM 1289 N ARG A 83 2.184 11.139 -2.155 1.00 0.00 N ATOM 1290 CA ARG A 83 3.403 10.558 -2.705 1.00 0.00 C ATOM 1291 C ARG A 83 4.369 10.167 -1.590 1.00 0.00 C ATOM 1292 O ARG A 83 4.627 10.933 -0.662 1.00 0.00 O ATOM 1293 CB ARG A 83 4.079 11.545 -3.657 1.00 0.00 C ATOM 1294 CG ARG A 83 4.975 10.879 -4.689 1.00 0.00 C ATOM 1295 CD ARG A 83 4.162 10.127 -5.731 1.00 0.00 C ATOM 1296 NE ARG A 83 3.837 10.965 -6.881 1.00 0.00 N ATOM 1297 CZ ARG A 83 3.516 10.482 -8.076 1.00 0.00 C ATOM 1298 NH1 ARG A 83 3.478 9.172 -8.276 1.00 0.00 N ATOM 1299 NH2 ARG A 83 3.233 11.309 -9.074 1.00 0.00 N ATOM 0 H ARG A 83 1.817 11.929 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 83 3.130 9.659 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.312 12.123 -4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.672 12.251 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.589 11.634 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.656 10.189 -4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.721 9.253 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.241 9.761 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 83 3.858 11.978 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.695 8.533 -7.511 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.231 8.803 -9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.262 12.318 -8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.987 10.936 -9.991 1.00 0.00 H new ATOM 1313 N PRO A 84 4.915 8.945 -1.681 1.00 0.00 N ATOM 1314 CA PRO A 84 5.860 8.424 -0.690 1.00 0.00 C ATOM 1315 C PRO A 84 7.207 9.137 -0.742 1.00 0.00 C ATOM 1316 O PRO A 84 7.802 9.285 -1.810 1.00 0.00 O ATOM 1317 CB PRO A 84 6.017 6.954 -1.087 1.00 0.00 C ATOM 1318 CG PRO A 84 5.696 6.919 -2.541 1.00 0.00 C ATOM 1319 CD PRO A 84 4.652 7.978 -2.760 1.00 0.00 C ATOM 0 HA PRO A 84 5.502 8.568 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.029 6.598 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.342 6.316 -0.517 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.584 7.116 -3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.324 5.938 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.747 8.438 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.644 7.568 -2.695 1.00 0.00 H new ATOM 1327 N LYS A 85 7.684 9.578 0.417 1.00 0.00 N ATOM 1328 CA LYS A 85 8.962 10.274 0.504 1.00 0.00 C ATOM 1329 C LYS A 85 9.732 9.845 1.749 1.00 0.00 C ATOM 1330 O LYS A 85 9.145 9.371 2.721 1.00 0.00 O ATOM 1331 CB LYS A 85 8.741 11.789 0.526 1.00 0.00 C ATOM 1332 CG LYS A 85 8.089 12.290 1.803 1.00 0.00 C ATOM 1333 CD LYS A 85 6.574 12.229 1.717 1.00 0.00 C ATOM 1334 CE LYS A 85 5.922 12.718 3.002 1.00 0.00 C ATOM 1335 NZ LYS A 85 5.868 11.651 4.038 1.00 0.00 N ATOM 0 H LYS A 85 7.204 9.466 1.310 1.00 0.00 H new ATOM 0 HA LYS A 85 9.551 10.011 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.701 12.290 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.119 12.069 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.431 11.690 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.402 13.316 1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.231 12.837 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.261 11.204 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.478 13.572 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.912 13.066 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.116 12.054 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.907 11.255 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.543 10.898 3.796 1.00 0.00 H new ATOM 1349 N ALA A 86 11.050 10.015 1.712 1.00 0.00 N ATOM 1350 CA ALA A 86 11.899 9.648 2.838 1.00 0.00 C ATOM 1351 C ALA A 86 11.607 10.521 4.053 1.00 0.00 C ATOM 1352 O ALA A 86 11.866 11.725 4.041 1.00 0.00 O ATOM 1353 CB ALA A 86 13.366 9.755 2.449 1.00 0.00 C ATOM 0 H ALA A 86 11.552 10.405 0.914 1.00 0.00 H new ATOM 0 HA ALA A 86 11.680 8.614 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.989 9.478 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.571 9.084 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.590 10.780 2.153 1.00 0.00 H new ATOM 1359 N ILE A 87 11.066 9.907 5.101 1.00 0.00 N ATOM 1360 CA ILE A 87 10.739 10.630 6.324 1.00 0.00 C ATOM 1361 C ILE A 87 11.727 10.299 7.438 1.00 0.00 C ATOM 1362 O ILE A 87 12.454 9.308 7.363 1.00 0.00 O ATOM 1363 CB ILE A 87 9.313 10.305 6.805 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.161 8.801 7.044 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.288 10.792 5.791 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.056 8.452 8.016 1.00 0.00 C ATOM 0 H ILE A 87 10.845 8.912 5.127 1.00 0.00 H new ATOM 0 HA ILE A 87 10.801 11.693 6.090 1.00 0.00 H new ATOM 0 HB ILE A 87 9.137 10.823 7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.965 8.308 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.104 8.404 7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.285 10.555 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.383 11.871 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.461 10.300 4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.006 7.370 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.260 8.916 8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.104 8.818 7.632 1.00 0.00 H new ATOM 1378 N ARG A 88 11.747 11.136 8.470 1.00 0.00 N ATOM 1379 CA ARG A 88 12.645 10.933 9.601 1.00 0.00 C ATOM 1380 C ARG A 88 14.103 11.027 9.160 1.00 0.00 C ATOM 1381 O ARG A 88 14.939 10.221 9.568 1.00 0.00 O ATOM 1382 CB ARG A 88 12.384 9.572 10.249 1.00 0.00 C ATOM 1383 CG ARG A 88 10.960 9.400 10.752 1.00 0.00 C ATOM 1384 CD ARG A 88 10.522 7.945 10.697 1.00 0.00 C ATOM 1385 NE ARG A 88 9.523 7.636 11.717 1.00 0.00 N ATOM 1386 CZ ARG A 88 9.827 7.312 12.969 1.00 0.00 C ATOM 1387 NH1 ARG A 88 11.094 7.256 13.354 1.00 0.00 N ATOM 1388 NH2 ARG A 88 8.861 7.044 13.839 1.00 0.00 N ATOM 0 H ARG A 88 11.152 11.961 8.546 1.00 0.00 H new ATOM 0 HA ARG A 88 12.452 11.718 10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.602 8.787 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.073 9.438 11.082 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.888 9.764 11.777 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.284 10.008 10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.113 7.726 9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.390 7.300 10.832 1.00 0.00 H new ATOM 0 HE ARG A 88 8.538 7.671 11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.839 7.462 12.688 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.324 7.007 14.316 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.885 7.087 13.546 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.095 6.795 14.800 1.00 0.00 H new ATOM 1402 N GLY A 89 14.401 12.017 8.325 1.00 0.00 N ATOM 1403 CA GLY A 89 15.758 12.198 7.843 1.00 0.00 C ATOM 1404 C GLY A 89 16.011 11.470 6.537 1.00 0.00 C ATOM 1405 O GLY A 89 16.517 12.055 5.580 1.00 0.00 O ATOM 0 H GLY A 89 13.727 12.697 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.953 13.262 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.459 11.840 8.597 1.00 0.00 H new ATOM 1409 N GLY A 90 15.660 10.188 6.498 1.00 0.00 N ATOM 1410 CA GLY A 90 15.862 9.400 5.297 1.00 0.00 C ATOM 1411 C GLY A 90 16.086 7.931 5.598 1.00 0.00 C ATOM 1412 O GLY A 90 17.144 7.381 5.292 1.00 0.00 O ATOM 0 H GLY A 90 15.239 9.682 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.994 9.506 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.720 9.791 4.750 1.00 0.00 H new ATOM 1416 N THR A 91 15.088 7.294 6.202 1.00 0.00 N ATOM 1417 CA THR A 91 15.182 5.881 6.547 1.00 0.00 C ATOM 1418 C THR A 91 13.907 5.136 6.168 1.00 0.00 C ATOM 1419 O THR A 91 13.953 4.117 5.479 1.00 0.00 O ATOM 1420 CB THR A 91 15.447 5.687 8.052 1.00 0.00 C ATOM 1421 OG1 THR A 91 14.453 6.377 8.818 1.00 0.00 O ATOM 1422 CG2 THR A 91 16.830 6.198 8.428 1.00 0.00 C ATOM 0 H THR A 91 14.205 7.734 6.462 1.00 0.00 H new ATOM 0 HA THR A 91 16.020 5.473 5.982 1.00 0.00 H new ATOM 0 HB THR A 91 15.399 4.621 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.628 6.247 9.773 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.995 6.051 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.586 5.650 7.865 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.902 7.260 8.193 1.00 0.00 H new ATOM 1430 N ALA A 92 12.769 5.652 6.620 1.00 0.00 N ATOM 1431 CA ALA A 92 11.480 5.037 6.326 1.00 0.00 C ATOM 1432 C ALA A 92 10.621 5.952 5.460 1.00 0.00 C ATOM 1433 O ALA A 92 10.769 7.173 5.493 1.00 0.00 O ATOM 1434 CB ALA A 92 10.753 4.692 7.617 1.00 0.00 C ATOM 0 H ALA A 92 12.713 6.495 7.192 1.00 0.00 H new ATOM 0 HA ALA A 92 11.662 4.118 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.792 4.234 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.356 3.994 8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.590 5.601 8.196 1.00 0.00 H new ATOM 1440 N SER A 93 9.722 5.353 4.685 1.00 0.00 N ATOM 1441 CA SER A 93 8.841 6.114 3.807 1.00 0.00 C ATOM 1442 C SER A 93 7.409 6.104 4.333 1.00 0.00 C ATOM 1443 O SER A 93 6.991 5.165 5.009 1.00 0.00 O ATOM 1444 CB SER A 93 8.880 5.540 2.389 1.00 0.00 C ATOM 1445 OG SER A 93 8.511 6.519 1.433 1.00 0.00 O ATOM 0 H SER A 93 9.585 4.343 4.647 1.00 0.00 H new ATOM 0 HA SER A 93 9.194 7.145 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.882 5.172 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.205 4.687 2.320 1.00 0.00 H new ATOM 0 HG SER A 93 8.569 7.410 1.838 1.00 0.00 H new ATOM 1451 N MET A 94 6.662 7.157 4.017 1.00 0.00 N ATOM 1452 CA MET A 94 5.276 7.270 4.457 1.00 0.00 C ATOM 1453 C MET A 94 4.372 7.684 3.300 1.00 0.00 C ATOM 1454 O MET A 94 4.667 8.638 2.580 1.00 0.00 O ATOM 1455 CB MET A 94 5.161 8.283 5.597 1.00 0.00 C ATOM 1456 CG MET A 94 3.896 8.125 6.425 1.00 0.00 C ATOM 1457 SD MET A 94 3.411 9.653 7.251 1.00 0.00 S ATOM 1458 CE MET A 94 2.446 10.441 5.964 1.00 0.00 C ATOM 0 H MET A 94 6.993 7.944 3.458 1.00 0.00 H new ATOM 0 HA MET A 94 4.954 6.293 4.816 1.00 0.00 H new ATOM 0 HB2 MET A 94 6.028 8.183 6.250 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.190 9.290 5.181 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.083 7.792 5.780 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.050 7.346 7.172 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.075 11.401 6.324 1.00 0.00 H new ATOM 0 HE2 MET A 94 3.072 10.600 5.086 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.603 9.803 5.699 1.00 0.00 H new ATOM 1468 N CYS A 95 3.270 6.962 3.129 1.00 0.00 N ATOM 1469 CA CYS A 95 2.323 7.254 2.059 1.00 0.00 C ATOM 1470 C CYS A 95 0.903 6.883 2.474 1.00 0.00 C ATOM 1471 O CYS A 95 0.700 6.029 3.337 1.00 0.00 O ATOM 1472 CB CYS A 95 2.709 6.498 0.787 1.00 0.00 C ATOM 1473 SG CYS A 95 1.351 6.288 -0.388 1.00 0.00 S ATOM 0 H CYS A 95 3.010 6.170 3.718 1.00 0.00 H new ATOM 0 HA CYS A 95 2.356 8.325 1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.523 7.030 0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.091 5.515 1.063 1.00 0.00 H new ATOM 0 HG CYS A 95 0.797 5.126 -0.208 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.078 7.533 1.855 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.479 7.273 2.160 1.00 0.00 C ATOM 1481 C VAL A 96 -2.258 6.913 0.900 1.00 0.00 C ATOM 1482 O VAL A 96 -1.820 7.193 -0.216 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.143 8.490 2.830 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.539 8.135 3.319 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.283 9.002 3.976 1.00 0.00 C ATOM 0 H VAL A 96 0.073 8.244 1.139 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.501 6.430 2.851 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.234 9.285 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.992 9.007 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.151 7.819 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.475 7.324 4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.767 9.862 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.159 8.213 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.306 9.298 3.594 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.418 6.290 1.085 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.259 5.890 -0.037 1.00 0.00 C ATOM 1497 C PHE A 97 -5.654 6.497 0.086 1.00 0.00 C ATOM 1498 O PHE A 97 -6.169 6.677 1.190 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.358 4.365 -0.110 1.00 0.00 C ATOM 1500 CG PHE A 97 -3.132 3.711 -0.679 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.925 3.763 -0.002 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -3.188 3.044 -1.892 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.795 3.162 -0.525 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -2.061 2.441 -2.420 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.864 2.499 -1.735 1.00 0.00 C ATOM 0 H PHE A 97 -3.797 6.051 2.002 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.800 6.261 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.538 3.972 0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.220 4.094 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.866 4.279 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.122 2.994 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.141 3.211 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.117 1.925 -3.367 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.017 2.027 -2.144 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.259 6.810 -1.055 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.593 7.398 -1.076 1.00 0.00 C ATOM 1517 C ARG A 98 -8.378 6.920 -2.293 1.00 0.00 C ATOM 1518 O ARG A 98 -7.798 6.489 -3.290 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.500 8.925 -1.083 1.00 0.00 C ATOM 1520 CG ARG A 98 -6.981 9.498 -2.392 1.00 0.00 C ATOM 1521 CD ARG A 98 -6.887 11.015 -2.338 1.00 0.00 C ATOM 1522 NE ARG A 98 -8.139 11.655 -2.736 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.547 11.749 -3.996 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.808 11.247 -4.976 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -9.698 12.346 -4.278 1.00 0.00 N ATOM 0 H ARG A 98 -5.847 6.666 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.119 7.077 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.487 9.342 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.846 9.244 -0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.999 9.079 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.641 9.202 -3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.626 11.326 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.083 11.352 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.732 12.051 -2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.923 10.787 -4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.125 11.321 -5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.269 12.733 -3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.011 12.418 -5.246 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.702 7.000 -2.205 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.568 6.575 -3.299 1.00 0.00 C ATOM 1541 C HIS A 99 -10.585 7.617 -4.414 1.00 0.00 C ATOM 1542 O HIS A 99 -10.465 8.816 -4.159 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.989 6.333 -2.789 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.877 5.656 -3.788 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.476 6.323 -4.836 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.265 4.364 -3.894 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.196 5.470 -5.543 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.084 4.274 -4.993 1.00 0.00 N ATOM 0 H HIS A 99 -10.198 7.355 -1.388 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.172 5.643 -3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.943 5.725 -1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.433 7.288 -2.509 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -13.378 7.319 -5.034 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.983 3.554 -3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.777 5.710 -6.421 1.00 0.00 H new ATOM 1557 N LEU A 100 -10.735 7.152 -5.650 1.00 0.00 N ATOM 1558 CA LEU A 100 -10.767 8.043 -6.804 1.00 0.00 C ATOM 1559 C LEU A 100 -12.035 8.891 -6.802 1.00 0.00 C ATOM 1560 O LEU A 100 -13.117 8.407 -7.134 1.00 0.00 O ATOM 1561 CB LEU A 100 -10.682 7.234 -8.100 1.00 0.00 C ATOM 1562 CG LEU A 100 -9.319 6.619 -8.419 1.00 0.00 C ATOM 1563 CD1 LEU A 100 -9.477 5.423 -9.344 1.00 0.00 C ATOM 1564 CD2 LEU A 100 -8.397 7.658 -9.040 1.00 0.00 C ATOM 0 H LEU A 100 -10.836 6.163 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.907 8.709 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.418 6.432 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.969 7.882 -8.929 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.870 6.275 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.497 4.998 -9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.100 4.670 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.947 5.742 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.432 7.202 -9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.840 8.033 -9.962 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.258 8.484 -8.343 1.00 0.00 H new ATOM 1576 N SER A 101 -11.892 10.158 -6.429 1.00 0.00 N ATOM 1577 CA SER A 101 -13.027 11.074 -6.382 1.00 0.00 C ATOM 1578 C SER A 101 -12.879 12.175 -7.427 1.00 0.00 C ATOM 1579 O SER A 101 -13.824 12.494 -8.149 1.00 0.00 O ATOM 1580 CB SER A 101 -13.154 11.691 -4.988 1.00 0.00 C ATOM 1581 OG SER A 101 -14.235 12.606 -4.933 1.00 0.00 O ATOM 0 H SER A 101 -11.002 10.574 -6.155 1.00 0.00 H new ATOM 0 HA SER A 101 -13.931 10.506 -6.603 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.302 10.903 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.227 12.202 -4.727 1.00 0.00 H new ATOM 0 HG SER A 101 -14.297 12.986 -4.032 1.00 0.00 H new ATOM 1587 N LYS A 102 -11.685 12.754 -7.503 1.00 0.00 N ATOM 1588 CA LYS A 102 -11.410 13.819 -8.459 1.00 0.00 C ATOM 1589 C LYS A 102 -11.520 13.307 -9.891 1.00 0.00 C ATOM 1590 O LYS A 102 -12.370 13.757 -10.660 1.00 0.00 O ATOM 1591 CB LYS A 102 -10.014 14.400 -8.219 1.00 0.00 C ATOM 1592 CG LYS A 102 -9.694 15.596 -9.099 1.00 0.00 C ATOM 1593 CD LYS A 102 -10.198 16.891 -8.484 1.00 0.00 C ATOM 1594 CE LYS A 102 -9.341 17.317 -7.302 1.00 0.00 C ATOM 1595 NZ LYS A 102 -9.643 18.711 -6.872 1.00 0.00 N ATOM 0 H LYS A 102 -10.892 12.503 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.153 14.603 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.927 14.695 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.271 13.622 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.616 15.659 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.147 15.458 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.197 17.678 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.230 16.763 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.508 16.635 -6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.287 17.240 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.038 18.964 -6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.460 19.365 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.642 18.779 -6.591 1.00 0.00 H new ATOM 1609 N LYS A 103 -10.655 12.362 -10.245 1.00 0.00 N ATOM 1610 CA LYS A 103 -10.656 11.785 -11.584 1.00 0.00 C ATOM 1611 C LYS A 103 -10.743 10.263 -11.520 1.00 0.00 C ATOM 1612 O LYS A 103 -10.682 9.674 -10.442 1.00 0.00 O ATOM 1613 CB LYS A 103 -9.395 12.203 -12.342 1.00 0.00 C ATOM 1614 CG LYS A 103 -8.139 11.486 -11.877 1.00 0.00 C ATOM 1615 CD LYS A 103 -7.141 11.317 -13.010 1.00 0.00 C ATOM 1616 CE LYS A 103 -6.132 10.220 -12.706 1.00 0.00 C ATOM 1617 NZ LYS A 103 -4.963 10.271 -13.626 1.00 0.00 N ATOM 0 H LYS A 103 -9.944 11.979 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.532 12.160 -12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.540 12.011 -13.405 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.253 13.278 -12.229 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.677 12.048 -11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.405 10.508 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.672 11.079 -13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.617 12.258 -13.178 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.788 10.318 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.617 9.247 -12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.299 9.508 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.288 10.152 -14.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.485 11.189 -13.529 1.00 0.00 H new ATOM 1631 N GLU A 104 -10.884 9.634 -12.683 1.00 0.00 N ATOM 1632 CA GLU A 104 -10.978 8.181 -12.758 1.00 0.00 C ATOM 1633 C GLU A 104 -12.084 7.660 -11.845 1.00 0.00 C ATOM 1634 O GLU A 104 -11.890 6.694 -11.108 1.00 0.00 O ATOM 1635 CB GLU A 104 -9.642 7.541 -12.376 1.00 0.00 C ATOM 1636 CG GLU A 104 -8.708 7.331 -13.555 1.00 0.00 C ATOM 1637 CD GLU A 104 -7.555 6.402 -13.229 1.00 0.00 C ATOM 1638 OE1 GLU A 104 -6.562 6.875 -12.636 1.00 0.00 O ATOM 1639 OE2 GLU A 104 -7.645 5.203 -13.565 1.00 0.00 O ATOM 0 H GLU A 104 -10.936 10.108 -13.585 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.221 7.910 -13.786 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.145 8.170 -11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.833 6.580 -11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.273 6.922 -14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.313 8.295 -13.877 1.00 0.00 H new ATOM 1646 N GLU A 105 -13.244 8.307 -11.901 1.00 0.00 N ATOM 1647 CA GLU A 105 -14.380 7.910 -11.078 1.00 0.00 C ATOM 1648 C GLU A 105 -15.117 6.728 -11.702 1.00 0.00 C ATOM 1649 O GLU A 105 -14.830 6.329 -12.831 1.00 0.00 O ATOM 1650 CB GLU A 105 -15.342 9.086 -10.896 1.00 0.00 C ATOM 1651 CG GLU A 105 -14.904 10.070 -9.824 1.00 0.00 C ATOM 1652 CD GLU A 105 -15.435 9.711 -8.450 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -15.407 8.512 -8.098 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -15.879 10.626 -7.727 1.00 0.00 O ATOM 0 H GLU A 105 -13.421 9.108 -12.507 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.001 7.606 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.440 9.614 -11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.330 8.701 -10.642 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.815 10.104 -9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.246 11.070 -10.092 1.00 0.00 H new ATOM 1661 N LYS A 106 -16.067 6.171 -10.958 1.00 0.00 N ATOM 1662 CA LYS A 106 -16.846 5.036 -11.436 1.00 0.00 C ATOM 1663 C LYS A 106 -18.265 5.463 -11.799 1.00 0.00 C ATOM 1664 O LYS A 106 -19.101 5.681 -10.922 1.00 0.00 O ATOM 1665 CB LYS A 106 -16.889 3.936 -10.372 1.00 0.00 C ATOM 1666 CG LYS A 106 -15.610 3.122 -10.287 1.00 0.00 C ATOM 1667 CD LYS A 106 -15.805 1.862 -9.461 1.00 0.00 C ATOM 1668 CE LYS A 106 -16.269 0.697 -10.323 1.00 0.00 C ATOM 1669 NZ LYS A 106 -17.739 0.732 -10.557 1.00 0.00 N ATOM 0 H LYS A 106 -16.316 6.488 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 106 -16.362 4.648 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.086 4.389 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -17.722 3.267 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -15.282 2.853 -11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.820 3.729 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.869 1.601 -8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.538 2.050 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.748 0.723 -11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.000 -0.242 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.095 -0.238 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.209 1.179 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.941 1.280 -11.418 1.00 0.00 H new ATOM 1683 N SER A 107 -18.530 5.580 -13.096 1.00 0.00 N ATOM 1684 CA SER A 107 -19.847 5.984 -13.573 1.00 0.00 C ATOM 1685 C SER A 107 -20.926 5.036 -13.059 1.00 0.00 C ATOM 1686 O SER A 107 -20.707 3.830 -12.948 1.00 0.00 O ATOM 1687 CB SER A 107 -19.870 6.018 -15.103 1.00 0.00 C ATOM 1688 OG SER A 107 -21.160 6.351 -15.586 1.00 0.00 O ATOM 0 H SER A 107 -17.850 5.401 -13.835 1.00 0.00 H new ATOM 0 HA SER A 107 -20.054 6.984 -13.190 1.00 0.00 H new ATOM 0 HB2 SER A 107 -19.144 6.746 -15.465 1.00 0.00 H new ATOM 0 HB3 SER A 107 -19.571 5.046 -15.496 1.00 0.00 H new ATOM 0 HG SER A 107 -21.148 6.368 -16.566 1.00 0.00 H new ATOM 1694 N GLY A 108 -22.093 5.591 -12.745 1.00 0.00 N ATOM 1695 CA GLY A 108 -23.189 4.782 -12.246 1.00 0.00 C ATOM 1696 C GLY A 108 -24.452 5.590 -12.024 1.00 0.00 C ATOM 1697 O GLY A 108 -24.470 6.811 -12.183 1.00 0.00 O ATOM 0 H GLY A 108 -22.298 6.587 -12.827 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -23.395 3.979 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -22.892 4.312 -11.308 1.00 0.00 H new ATOM 1701 N PRO A 109 -25.541 4.902 -11.650 1.00 0.00 N ATOM 1702 CA PRO A 109 -26.835 5.544 -11.399 1.00 0.00 C ATOM 1703 C PRO A 109 -26.823 6.401 -10.139 1.00 0.00 C ATOM 1704 O PRO A 109 -26.063 6.140 -9.206 1.00 0.00 O ATOM 1705 CB PRO A 109 -27.791 4.360 -11.232 1.00 0.00 C ATOM 1706 CG PRO A 109 -26.926 3.236 -10.778 1.00 0.00 C ATOM 1707 CD PRO A 109 -25.593 3.446 -11.441 1.00 0.00 C ATOM 0 HA PRO A 109 -27.114 6.226 -12.202 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -28.570 4.580 -10.502 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -28.292 4.120 -12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -26.826 3.234 -9.693 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -27.355 2.275 -11.060 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -24.773 3.101 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -25.523 2.902 -12.383 1.00 0.00 H new ATOM 1715 N SER A 110 -27.670 7.426 -10.117 1.00 0.00 N ATOM 1716 CA SER A 110 -27.754 8.324 -8.971 1.00 0.00 C ATOM 1717 C SER A 110 -29.039 8.084 -8.186 1.00 0.00 C ATOM 1718 O SER A 110 -29.004 7.733 -7.007 1.00 0.00 O ATOM 1719 CB SER A 110 -27.688 9.781 -9.433 1.00 0.00 C ATOM 1720 OG SER A 110 -26.404 10.099 -9.939 1.00 0.00 O ATOM 0 H SER A 110 -28.307 7.655 -10.880 1.00 0.00 H new ATOM 0 HA SER A 110 -26.907 8.119 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 110 -28.439 9.956 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 110 -27.927 10.441 -8.599 1.00 0.00 H new ATOM 0 HG SER A 110 -26.389 11.035 -10.229 1.00 0.00 H new ATOM 1726 N SER A 111 -30.175 8.277 -8.849 1.00 0.00 N ATOM 1727 CA SER A 111 -31.474 8.086 -8.214 1.00 0.00 C ATOM 1728 C SER A 111 -31.988 6.668 -8.445 1.00 0.00 C ATOM 1729 O SER A 111 -32.404 5.987 -7.509 1.00 0.00 O ATOM 1730 CB SER A 111 -32.483 9.101 -8.753 1.00 0.00 C ATOM 1731 OG SER A 111 -33.634 9.163 -7.929 1.00 0.00 O ATOM 0 H SER A 111 -30.222 8.566 -9.826 1.00 0.00 H new ATOM 0 HA SER A 111 -31.353 8.240 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 111 -32.019 10.086 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 111 -32.773 8.827 -9.767 1.00 0.00 H new ATOM 0 HG SER A 111 -34.263 9.820 -8.294 1.00 0.00 H new ATOM 1737 N GLY A 112 -31.957 6.231 -9.700 1.00 0.00 N ATOM 1738 CA GLY A 112 -32.422 4.897 -10.033 1.00 0.00 C ATOM 1739 C GLY A 112 -33.863 4.667 -9.622 1.00 0.00 C ATOM 1740 O GLY A 112 -34.134 4.220 -8.507 1.00 0.00 O ATOM 0 H GLY A 112 -31.618 6.777 -10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -32.324 4.739 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -31.785 4.160 -9.543 1.00 0.00 H new TER 1744 GLY A 112