USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-8.2!) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.0422 (180deg=-0.35) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 1.32 (180deg=1.26) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.466 (180deg=0.457) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.01 (180deg=0.282) USER MOD Single : A 32 GLN : amide:sc= 1.22 K(o=1.2,f=-0.032) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.198 (180deg=-0.691) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= 1.08 (180deg=0.458) USER MOD Single : A 60 TYR OH : rot -150:sc= 0.135 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -89:sc= 0.288 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 72 TYR OH : rot 126:sc= 0.0566 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 9.293 1.452 -6.470 1.00 0.00 N ATOM 29 CA LEU A 3 8.080 0.974 -7.119 1.00 0.00 C ATOM 30 C LEU A 3 7.038 2.035 -6.876 1.00 0.00 C ATOM 31 O LEU A 3 6.600 2.199 -5.744 1.00 0.00 O ATOM 32 CB LEU A 3 7.665 -0.414 -6.577 1.00 0.00 C ATOM 33 CG LEU A 3 8.399 -1.526 -7.364 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.351 -2.892 -6.678 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.822 -1.693 -8.778 1.00 0.00 C ATOM 0 HA LEU A 3 8.222 0.823 -8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.906 -0.487 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.586 -0.543 -6.669 1.00 0.00 H new ATOM 0 HG LEU A 3 9.436 -1.193 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.885 -3.623 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.820 -2.823 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.313 -3.205 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.362 -2.482 -9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.767 -1.958 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.927 -0.757 -9.327 1.00 0.00 H new ATOM 47 N VAL A 4 6.721 2.797 -7.920 1.00 0.00 N ATOM 48 CA VAL A 4 5.889 3.986 -7.818 1.00 0.00 C ATOM 49 C VAL A 4 4.585 3.764 -8.588 1.00 0.00 C ATOM 50 O VAL A 4 4.059 4.629 -9.295 1.00 0.00 O ATOM 51 CB VAL A 4 6.698 5.220 -8.253 1.00 0.00 C ATOM 52 CG1 VAL A 4 8.115 5.266 -7.652 1.00 0.00 C ATOM 53 CG2 VAL A 4 6.718 5.384 -9.772 1.00 0.00 C ATOM 0 H VAL A 4 7.040 2.601 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 4 5.593 4.179 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 4 6.171 6.079 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.629 6.162 -8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.048 5.286 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.672 4.383 -7.965 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.300 6.267 -10.035 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.170 4.503 -10.227 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.698 5.499 -10.139 1.00 0.00 H new ATOM 63 N LEU A 5 4.056 2.556 -8.487 1.00 0.00 N ATOM 64 CA LEU A 5 2.786 2.215 -9.067 1.00 0.00 C ATOM 65 C LEU A 5 2.193 1.117 -8.198 1.00 0.00 C ATOM 66 O LEU A 5 2.875 0.133 -7.926 1.00 0.00 O ATOM 67 CB LEU A 5 2.923 1.830 -10.544 1.00 0.00 C ATOM 68 CG LEU A 5 3.850 0.633 -10.834 1.00 0.00 C ATOM 69 CD1 LEU A 5 3.025 -0.626 -11.127 1.00 0.00 C ATOM 70 CD2 LEU A 5 4.750 0.951 -12.031 1.00 0.00 C ATOM 0 H LEU A 5 4.506 1.785 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 5 2.109 3.069 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.932 1.603 -10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.293 2.695 -11.094 1.00 0.00 H new ATOM 0 HG LEU A 5 4.468 0.450 -9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.695 -1.461 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.402 -0.862 -10.264 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.390 -0.451 -11.996 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.403 0.101 -12.231 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.133 1.149 -12.908 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.356 1.829 -11.808 1.00 0.00 H new ATOM 82 N VAL A 6 0.939 1.249 -7.764 1.00 0.00 N ATOM 83 CA VAL A 6 0.296 0.177 -7.009 1.00 0.00 C ATOM 84 C VAL A 6 -1.192 0.097 -7.336 1.00 0.00 C ATOM 85 O VAL A 6 -2.062 0.077 -6.476 1.00 0.00 O ATOM 86 CB VAL A 6 0.676 0.236 -5.511 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.358 1.573 -4.836 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.064 -0.912 -4.696 1.00 0.00 C ATOM 0 H VAL A 6 0.358 2.073 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 6 0.685 -0.790 -7.328 1.00 0.00 H new ATOM 0 HB VAL A 6 1.760 0.125 -5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.655 1.531 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.905 2.372 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.712 1.769 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.365 -0.818 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.023 -0.868 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.415 -1.866 -5.091 1.00 0.00 H new ATOM 98 N LYS A 7 -1.517 0.026 -8.622 1.00 0.00 N ATOM 99 CA LYS A 7 -2.898 -0.084 -9.076 1.00 0.00 C ATOM 100 C LYS A 7 -3.120 -1.388 -9.848 1.00 0.00 C ATOM 101 O LYS A 7 -3.977 -1.430 -10.723 1.00 0.00 O ATOM 102 CB LYS A 7 -3.242 1.155 -9.936 1.00 0.00 C ATOM 103 CG LYS A 7 -2.290 1.463 -11.115 1.00 0.00 C ATOM 104 CD LYS A 7 -1.144 2.408 -10.712 1.00 0.00 C ATOM 105 CE LYS A 7 -0.501 3.141 -11.895 1.00 0.00 C ATOM 106 NZ LYS A 7 -1.207 4.400 -12.219 1.00 0.00 N ATOM 0 H LYS A 7 -0.832 0.043 -9.378 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.565 -0.113 -8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.248 1.025 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.269 2.027 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.872 0.530 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.858 1.912 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.525 3.144 -10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.377 1.833 -10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.541 3.360 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.503 2.490 -12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.739 4.863 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.195 4.190 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.184 5.033 -11.394 1.00 0.00 H new ATOM 120 N TYR A 8 -2.487 -2.490 -9.435 1.00 0.00 N ATOM 121 CA TYR A 8 -2.620 -3.784 -10.115 1.00 0.00 C ATOM 122 C TYR A 8 -2.542 -4.939 -9.117 1.00 0.00 C ATOM 123 O TYR A 8 -2.020 -6.004 -9.427 1.00 0.00 O ATOM 124 CB TYR A 8 -1.502 -3.889 -11.176 1.00 0.00 C ATOM 125 CG TYR A 8 -1.731 -3.051 -12.415 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.845 -3.331 -13.227 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.823 -2.041 -12.787 1.00 0.00 C ATOM 128 CE1 TYR A 8 -3.060 -2.603 -14.406 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.023 -1.319 -13.977 1.00 0.00 C ATOM 130 CZ TYR A 8 -2.141 -1.608 -14.796 1.00 0.00 C ATOM 131 OH TYR A 8 -2.321 -0.994 -15.996 1.00 0.00 O ATOM 0 H TYR A 8 -1.870 -2.512 -8.623 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.595 -3.849 -10.599 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.558 -3.591 -10.721 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.397 -4.933 -11.473 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.537 -4.109 -12.941 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.027 -1.821 -12.158 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.929 -2.805 -15.015 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.326 -0.546 -14.265 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.614 -0.330 -16.133 1.00 0.00 H new ATOM 141 N GLY A 9 -3.124 -4.756 -7.929 1.00 0.00 N ATOM 142 CA GLY A 9 -3.146 -5.739 -6.853 1.00 0.00 C ATOM 143 C GLY A 9 -1.783 -5.977 -6.236 1.00 0.00 C ATOM 144 O GLY A 9 -1.648 -5.757 -5.045 1.00 0.00 O ATOM 0 H GLY A 9 -3.607 -3.891 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.835 -5.405 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.533 -6.682 -7.239 1.00 0.00 H new ATOM 148 N THR A 10 -0.792 -6.398 -7.013 1.00 0.00 N ATOM 149 CA THR A 10 0.364 -7.109 -6.469 1.00 0.00 C ATOM 150 C THR A 10 1.725 -6.696 -7.061 1.00 0.00 C ATOM 151 O THR A 10 2.635 -7.528 -7.142 1.00 0.00 O ATOM 152 CB THR A 10 0.116 -8.619 -6.631 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.432 -8.932 -7.897 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.847 -9.160 -5.573 1.00 0.00 C ATOM 0 H THR A 10 -0.764 -6.260 -8.023 1.00 0.00 H new ATOM 0 HA THR A 10 0.447 -6.832 -5.418 1.00 0.00 H new ATOM 0 HB THR A 10 1.095 -9.084 -6.519 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.573 -9.900 -7.962 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.992 -10.229 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.430 -8.989 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.805 -8.648 -5.657 1.00 0.00 H new ATOM 162 N ASP A 11 1.957 -5.402 -7.342 1.00 0.00 N ATOM 163 CA ASP A 11 3.191 -5.001 -8.050 1.00 0.00 C ATOM 164 C ASP A 11 4.027 -3.957 -7.286 1.00 0.00 C ATOM 165 O ASP A 11 4.659 -3.095 -7.891 1.00 0.00 O ATOM 166 CB ASP A 11 2.818 -4.508 -9.470 1.00 0.00 C ATOM 167 CG ASP A 11 3.980 -4.545 -10.479 1.00 0.00 C ATOM 168 OD1 ASP A 11 4.979 -5.264 -10.255 1.00 0.00 O ATOM 169 OD2 ASP A 11 3.850 -4.002 -11.604 1.00 0.00 O ATOM 0 H ASP A 11 1.330 -4.635 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 11 3.835 -5.877 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.001 -5.121 -9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.445 -3.486 -9.401 1.00 0.00 H new ATOM 174 N HIS A 12 4.107 -4.061 -5.951 1.00 0.00 N ATOM 175 CA HIS A 12 4.889 -3.174 -5.075 1.00 0.00 C ATOM 176 C HIS A 12 5.122 -3.860 -3.719 1.00 0.00 C ATOM 177 O HIS A 12 4.473 -4.871 -3.461 1.00 0.00 O ATOM 178 CB HIS A 12 4.177 -1.808 -4.958 1.00 0.00 C ATOM 179 CG HIS A 12 3.284 -1.634 -3.752 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.590 -2.620 -3.085 1.00 0.00 N ATOM 181 CD2 HIS A 12 3.092 -0.466 -3.066 1.00 0.00 C ATOM 182 CE1 HIS A 12 2.027 -2.071 -2.004 1.00 0.00 C ATOM 183 NE2 HIS A 12 2.287 -0.760 -1.964 1.00 0.00 N ATOM 0 H HIS A 12 3.613 -4.788 -5.434 1.00 0.00 H new ATOM 0 HA HIS A 12 5.874 -2.981 -5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.935 -1.025 -4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.578 -1.653 -5.856 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.518 -3.598 -3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.489 0.503 -3.328 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.446 -2.609 -1.269 1.00 0.00 H new ATOM 191 N PRO A 13 6.015 -3.394 -2.831 1.00 0.00 N ATOM 192 CA PRO A 13 6.261 -4.080 -1.561 1.00 0.00 C ATOM 193 C PRO A 13 5.097 -3.912 -0.594 1.00 0.00 C ATOM 194 O PRO A 13 4.395 -2.939 -0.736 1.00 0.00 O ATOM 195 CB PRO A 13 7.526 -3.420 -1.032 1.00 0.00 C ATOM 196 CG PRO A 13 7.470 -1.992 -1.569 1.00 0.00 C ATOM 197 CD PRO A 13 6.803 -2.174 -2.930 1.00 0.00 C ATOM 0 HA PRO A 13 6.369 -5.158 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.554 -3.433 0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.419 -3.939 -1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.891 -1.337 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.464 -1.554 -1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.171 -1.320 -3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.548 -2.254 -3.722 1.00 0.00 H new ATOM 205 N VAL A 14 4.933 -4.808 0.394 1.00 0.00 N ATOM 206 CA VAL A 14 4.031 -4.779 1.543 1.00 0.00 C ATOM 207 C VAL A 14 3.992 -6.210 2.079 1.00 0.00 C ATOM 208 O VAL A 14 4.291 -6.427 3.236 1.00 0.00 O ATOM 209 CB VAL A 14 2.655 -4.146 1.236 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.473 -4.768 1.976 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.663 -2.670 1.663 1.00 0.00 C ATOM 0 H VAL A 14 5.493 -5.660 0.401 1.00 0.00 H new ATOM 0 HA VAL A 14 4.397 -4.109 2.321 1.00 0.00 H new ATOM 0 HB VAL A 14 2.520 -4.306 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.555 -4.254 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.394 -5.823 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.625 -4.672 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.693 -2.223 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.864 -2.602 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.439 -2.136 1.114 1.00 0.00 H new ATOM 221 N GLU A 15 3.772 -7.221 1.241 1.00 0.00 N ATOM 222 CA GLU A 15 3.631 -8.612 1.713 1.00 0.00 C ATOM 223 C GLU A 15 4.333 -9.582 0.767 1.00 0.00 C ATOM 224 O GLU A 15 4.029 -10.763 0.743 1.00 0.00 O ATOM 225 CB GLU A 15 2.136 -8.927 2.020 1.00 0.00 C ATOM 226 CG GLU A 15 1.723 -8.210 3.318 1.00 0.00 C ATOM 227 CD GLU A 15 0.414 -8.592 4.022 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.279 -9.556 3.644 1.00 0.00 O ATOM 229 OE2 GLU A 15 0.089 -7.835 4.974 1.00 0.00 O ATOM 0 H GLU A 15 3.686 -7.111 0.231 1.00 0.00 H new ATOM 0 HA GLU A 15 4.148 -8.746 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.506 -8.599 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.992 -10.003 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.530 -8.350 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.673 -7.144 3.098 1.00 0.00 H new ATOM 236 N LYS A 16 5.323 -9.098 0.006 1.00 0.00 N ATOM 237 CA LYS A 16 6.224 -9.915 -0.802 1.00 0.00 C ATOM 238 C LYS A 16 7.343 -9.075 -1.366 1.00 0.00 C ATOM 239 O LYS A 16 8.487 -9.289 -0.992 1.00 0.00 O ATOM 240 CB LYS A 16 5.470 -10.600 -1.946 1.00 0.00 C ATOM 241 CG LYS A 16 6.224 -11.821 -2.464 1.00 0.00 C ATOM 242 CD LYS A 16 6.144 -13.009 -1.488 1.00 0.00 C ATOM 243 CE LYS A 16 6.350 -14.349 -2.198 1.00 0.00 C ATOM 244 NZ LYS A 16 5.219 -14.658 -3.099 1.00 0.00 N ATOM 0 H LYS A 16 5.521 -8.100 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 16 6.645 -10.682 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.481 -10.902 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.321 -9.891 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.813 -12.117 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.269 -11.558 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.899 -12.891 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.173 -13.007 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.277 -14.321 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.456 -15.143 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.183 -15.683 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.329 -14.350 -2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.348 -14.158 -4.002 1.00 0.00 H new ATOM 258 N LEU A 17 7.038 -8.059 -2.178 1.00 0.00 N ATOM 259 CA LEU A 17 8.077 -7.231 -2.789 1.00 0.00 C ATOM 260 C LEU A 17 8.948 -6.555 -1.723 1.00 0.00 C ATOM 261 O LEU A 17 10.111 -6.255 -1.980 1.00 0.00 O ATOM 262 CB LEU A 17 7.478 -6.220 -3.788 1.00 0.00 C ATOM 263 CG LEU A 17 7.814 -6.408 -5.276 1.00 0.00 C ATOM 264 CD1 LEU A 17 9.301 -6.148 -5.523 1.00 0.00 C ATOM 265 CD2 LEU A 17 7.373 -7.770 -5.807 1.00 0.00 C ATOM 0 H LEU A 17 6.085 -7.792 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 17 8.733 -7.885 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.393 -6.245 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.804 -5.223 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 17 7.243 -5.671 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.523 -6.285 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.545 -5.127 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.895 -6.847 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.634 -7.851 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.876 -8.559 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.294 -7.874 -5.691 1.00 0.00 H new ATOM 277 N LYS A 18 8.416 -6.365 -0.503 1.00 0.00 N ATOM 278 CA LYS A 18 9.190 -5.852 0.630 1.00 0.00 C ATOM 279 C LYS A 18 10.388 -6.765 0.890 1.00 0.00 C ATOM 280 O LYS A 18 11.492 -6.300 1.112 1.00 0.00 O ATOM 281 CB LYS A 18 8.327 -5.602 1.897 1.00 0.00 C ATOM 282 CG LYS A 18 8.355 -6.667 3.014 1.00 0.00 C ATOM 283 CD LYS A 18 7.440 -7.862 2.734 1.00 0.00 C ATOM 284 CE LYS A 18 7.819 -9.156 3.463 1.00 0.00 C ATOM 285 NZ LYS A 18 8.089 -9.036 4.915 1.00 0.00 N ATOM 0 H LYS A 18 7.441 -6.563 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 18 9.567 -4.865 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.640 -4.653 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.292 -5.480 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.377 -7.023 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.059 -6.204 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.421 -7.592 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.438 -8.055 1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.013 -9.876 3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.705 -9.572 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.301 -9.975 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.902 -8.406 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.253 -8.642 5.392 1.00 0.00 H new ATOM 299 N ILE A 19 10.171 -8.076 0.854 1.00 0.00 N ATOM 300 CA ILE A 19 11.160 -9.084 1.191 1.00 0.00 C ATOM 301 C ILE A 19 12.345 -8.946 0.231 1.00 0.00 C ATOM 302 O ILE A 19 13.501 -9.009 0.645 1.00 0.00 O ATOM 303 CB ILE A 19 10.428 -10.462 1.214 1.00 0.00 C ATOM 304 CG1 ILE A 19 10.569 -11.194 2.562 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.733 -11.415 0.046 1.00 0.00 C ATOM 306 CD1 ILE A 19 9.380 -12.145 2.786 1.00 0.00 C ATOM 0 H ILE A 19 9.273 -8.474 0.580 1.00 0.00 H new ATOM 0 HA ILE A 19 11.601 -8.968 2.181 1.00 0.00 H new ATOM 0 HB ILE A 19 9.387 -10.171 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.502 -11.758 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.619 -10.468 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.167 -12.338 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.450 -10.941 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.799 -11.642 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.496 -12.654 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.452 -11.573 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.348 -12.883 1.984 1.00 0.00 H new ATOM 318 N ARG A 20 12.063 -8.653 -1.044 1.00 0.00 N ATOM 319 CA ARG A 20 13.096 -8.488 -2.058 1.00 0.00 C ATOM 320 C ARG A 20 13.920 -7.204 -1.883 1.00 0.00 C ATOM 321 O ARG A 20 15.031 -7.168 -2.416 1.00 0.00 O ATOM 322 CB ARG A 20 12.461 -8.530 -3.457 1.00 0.00 C ATOM 323 CG ARG A 20 11.825 -9.887 -3.833 1.00 0.00 C ATOM 324 CD ARG A 20 10.320 -9.811 -4.128 1.00 0.00 C ATOM 325 NE ARG A 20 9.871 -10.711 -5.202 1.00 0.00 N ATOM 326 CZ ARG A 20 9.857 -10.419 -6.515 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.509 -9.380 -7.029 1.00 0.00 N ATOM 328 NH2 ARG A 20 9.169 -11.188 -7.342 1.00 0.00 N ATOM 0 H ARG A 20 11.114 -8.525 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 20 13.794 -9.317 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.696 -7.756 -3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.224 -8.284 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.337 -10.286 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.990 -10.592 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.770 -10.047 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.065 -8.786 -4.397 1.00 0.00 H new ATOM 0 HE ARG A 20 9.542 -11.636 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.049 -8.765 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.469 -9.198 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.656 -11.993 -6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.151 -10.976 -8.340 1.00 0.00 H new ATOM 342 N SER A 21 13.417 -6.169 -1.202 1.00 0.00 N ATOM 343 CA SER A 21 14.094 -4.891 -0.973 1.00 0.00 C ATOM 344 C SER A 21 13.173 -4.026 -0.099 1.00 0.00 C ATOM 345 O SER A 21 12.291 -3.346 -0.633 1.00 0.00 O ATOM 346 CB SER A 21 14.421 -4.189 -2.314 1.00 0.00 C ATOM 347 OG SER A 21 15.812 -3.971 -2.489 1.00 0.00 O ATOM 0 H SER A 21 12.490 -6.201 -0.779 1.00 0.00 H new ATOM 0 HA SER A 21 15.045 -5.052 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.045 -4.795 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.899 -3.233 -2.357 1.00 0.00 H new ATOM 0 HG SER A 21 15.968 -3.528 -3.349 1.00 0.00 H new ATOM 353 N ALA A 22 13.324 -4.102 1.229 1.00 0.00 N ATOM 354 CA ALA A 22 12.713 -3.220 2.229 1.00 0.00 C ATOM 355 C ALA A 22 13.327 -3.474 3.595 1.00 0.00 C ATOM 356 O ALA A 22 14.190 -4.347 3.718 1.00 0.00 O ATOM 357 CB ALA A 22 11.192 -3.418 2.318 1.00 0.00 C ATOM 0 H ALA A 22 13.908 -4.820 1.657 1.00 0.00 H new ATOM 0 HA ALA A 22 12.906 -2.194 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.781 -2.745 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.740 -3.200 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.975 -4.449 2.596 1.00 0.00 H new ATOM 363 N LYS A 23 12.871 -2.730 4.613 1.00 0.00 N ATOM 364 CA LYS A 23 13.089 -3.022 6.024 1.00 0.00 C ATOM 365 C LYS A 23 12.008 -2.385 6.890 1.00 0.00 C ATOM 366 O LYS A 23 10.974 -1.980 6.363 1.00 0.00 O ATOM 367 CB LYS A 23 14.513 -2.620 6.451 1.00 0.00 C ATOM 368 CG LYS A 23 15.131 -3.753 7.288 1.00 0.00 C ATOM 369 CD LYS A 23 15.510 -4.973 6.439 1.00 0.00 C ATOM 370 CE LYS A 23 16.699 -4.714 5.512 1.00 0.00 C ATOM 371 NZ LYS A 23 16.699 -5.662 4.383 1.00 0.00 N ATOM 0 H LYS A 23 12.323 -1.882 4.465 1.00 0.00 H new ATOM 0 HA LYS A 23 13.008 -4.099 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.127 -2.425 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.484 -1.698 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.019 -3.380 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.424 -4.057 8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.747 -5.808 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.650 -5.273 5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.656 -3.692 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.630 -4.808 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.550 -5.513 3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.695 -6.636 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.852 -5.507 3.799 1.00 0.00 H new ATOM 385 N ALA A 24 12.205 -2.373 8.212 1.00 0.00 N ATOM 386 CA ALA A 24 11.244 -1.801 9.141 1.00 0.00 C ATOM 387 C ALA A 24 11.187 -0.284 8.996 1.00 0.00 C ATOM 388 O ALA A 24 10.129 0.315 9.188 1.00 0.00 O ATOM 389 CB ALA A 24 11.639 -2.158 10.576 1.00 0.00 C ATOM 0 H ALA A 24 13.035 -2.760 8.661 1.00 0.00 H new ATOM 0 HA ALA A 24 10.260 -2.212 8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.917 -1.728 11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.652 -3.242 10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.630 -1.759 10.790 1.00 0.00 H new ATOM 395 N GLU A 25 12.316 0.350 8.673 1.00 0.00 N ATOM 396 CA GLU A 25 12.407 1.802 8.530 1.00 0.00 C ATOM 397 C GLU A 25 12.045 2.223 7.117 1.00 0.00 C ATOM 398 O GLU A 25 12.650 3.127 6.539 1.00 0.00 O ATOM 399 CB GLU A 25 13.819 2.255 8.912 1.00 0.00 C ATOM 400 CG GLU A 25 13.830 3.578 9.690 1.00 0.00 C ATOM 401 CD GLU A 25 13.579 4.821 8.830 1.00 0.00 C ATOM 402 OE1 GLU A 25 12.415 5.255 8.672 1.00 0.00 O ATOM 403 OE2 GLU A 25 14.564 5.429 8.357 1.00 0.00 O ATOM 0 H GLU A 25 13.198 -0.134 8.503 1.00 0.00 H new ATOM 0 HA GLU A 25 11.694 2.284 9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.293 1.481 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.417 2.366 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.071 3.532 10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.794 3.684 10.188 1.00 0.00 H new ATOM 410 N ASP A 26 11.048 1.560 6.553 1.00 0.00 N ATOM 411 CA ASP A 26 10.649 1.777 5.183 1.00 0.00 C ATOM 412 C ASP A 26 9.200 2.275 5.167 1.00 0.00 C ATOM 413 O ASP A 26 8.555 2.348 6.224 1.00 0.00 O ATOM 414 CB ASP A 26 10.901 0.486 4.400 1.00 0.00 C ATOM 415 CG ASP A 26 11.329 0.746 2.963 1.00 0.00 C ATOM 416 OD1 ASP A 26 10.723 1.607 2.291 1.00 0.00 O ATOM 417 OD2 ASP A 26 12.280 0.075 2.496 1.00 0.00 O ATOM 0 H ASP A 26 10.494 0.855 7.039 1.00 0.00 H new ATOM 0 HA ASP A 26 11.234 2.552 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.672 -0.096 4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.994 -0.118 4.401 1.00 0.00 H new ATOM 422 N LYS A 27 8.672 2.675 4.011 1.00 0.00 N ATOM 423 CA LYS A 27 7.404 3.402 3.922 1.00 0.00 C ATOM 424 C LYS A 27 6.658 3.000 2.660 1.00 0.00 C ATOM 425 O LYS A 27 7.307 2.803 1.636 1.00 0.00 O ATOM 426 CB LYS A 27 7.685 4.910 3.912 1.00 0.00 C ATOM 427 CG LYS A 27 8.277 5.504 5.203 1.00 0.00 C ATOM 428 CD LYS A 27 9.783 5.745 5.070 1.00 0.00 C ATOM 429 CE LYS A 27 10.430 5.997 6.433 1.00 0.00 C ATOM 430 NZ LYS A 27 11.801 6.517 6.296 1.00 0.00 N ATOM 0 H LYS A 27 9.112 2.504 3.107 1.00 0.00 H new ATOM 0 HA LYS A 27 6.784 3.155 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.370 5.125 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.752 5.430 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.776 6.444 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.088 4.827 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.251 4.881 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.960 6.600 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.826 6.707 6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.448 5.069 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.371 6.213 7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.226 6.150 5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.776 7.556 6.260 1.00 0.00 H new ATOM 444 N ILE A 28 5.337 2.780 2.753 1.00 0.00 N ATOM 445 CA ILE A 28 4.509 2.277 1.657 1.00 0.00 C ATOM 446 C ILE A 28 3.033 2.677 1.878 1.00 0.00 C ATOM 447 O ILE A 28 2.665 3.053 2.991 1.00 0.00 O ATOM 448 CB ILE A 28 4.670 0.736 1.540 1.00 0.00 C ATOM 449 CG1 ILE A 28 6.052 0.113 1.897 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.404 0.401 0.065 1.00 0.00 C ATOM 451 CD1 ILE A 28 6.022 -1.398 2.078 1.00 0.00 C ATOM 0 H ILE A 28 4.810 2.951 3.609 1.00 0.00 H new ATOM 0 HA ILE A 28 4.837 2.724 0.719 1.00 0.00 H new ATOM 0 HB ILE A 28 3.985 0.317 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.765 0.360 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.419 0.571 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.502 -0.674 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.395 0.715 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.126 0.923 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.022 -1.755 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.336 -1.654 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.687 -1.869 1.154 1.00 0.00 H new ATOM 463 N VAL A 29 2.201 2.614 0.829 1.00 0.00 N ATOM 464 CA VAL A 29 0.738 2.777 0.781 1.00 0.00 C ATOM 465 C VAL A 29 0.217 1.984 -0.444 1.00 0.00 C ATOM 466 O VAL A 29 0.984 1.821 -1.390 1.00 0.00 O ATOM 467 CB VAL A 29 0.360 4.269 0.644 1.00 0.00 C ATOM 468 CG1 VAL A 29 -1.117 4.475 0.240 1.00 0.00 C ATOM 469 CG2 VAL A 29 0.606 5.049 1.940 1.00 0.00 C ATOM 0 H VAL A 29 2.572 2.429 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 29 0.289 2.404 1.702 1.00 0.00 H new ATOM 0 HB VAL A 29 1.007 4.649 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.327 5.542 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.302 3.994 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.766 4.035 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.326 6.092 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.006 4.620 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.662 4.990 2.205 1.00 0.00 H new ATOM 479 N LEU A 30 -1.065 1.569 -0.478 1.00 0.00 N ATOM 480 CA LEU A 30 -1.733 0.850 -1.580 1.00 0.00 C ATOM 481 C LEU A 30 -2.837 1.697 -2.184 1.00 0.00 C ATOM 482 O LEU A 30 -3.499 2.425 -1.446 1.00 0.00 O ATOM 483 CB LEU A 30 -2.428 -0.448 -1.092 1.00 0.00 C ATOM 484 CG LEU A 30 -2.014 -1.087 0.241 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.954 -2.250 0.575 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.585 -1.608 0.205 1.00 0.00 C ATOM 0 H LEU A 30 -1.696 1.736 0.306 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.947 0.623 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.497 -0.241 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.291 -1.201 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.077 -0.311 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.655 -2.699 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.976 -1.880 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.901 -2.999 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.335 -2.052 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.492 -2.362 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.098 -0.784 -0.003 1.00 0.00 H new ATOM 498 N ILE A 31 -3.112 1.513 -3.482 1.00 0.00 N ATOM 499 CA ILE A 31 -4.210 2.182 -4.167 1.00 0.00 C ATOM 500 C ILE A 31 -5.017 1.188 -5.002 1.00 0.00 C ATOM 501 O ILE A 31 -4.667 0.021 -5.108 1.00 0.00 O ATOM 502 CB ILE A 31 -3.700 3.426 -4.925 1.00 0.00 C ATOM 503 CG1 ILE A 31 -3.219 3.056 -6.330 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.620 4.242 -4.178 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.969 4.273 -7.197 1.00 0.00 C ATOM 0 H ILE A 31 -2.572 0.891 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.923 2.571 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.565 4.085 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.301 2.473 -6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.963 2.419 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.323 5.096 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.023 4.596 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.752 3.610 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.630 3.954 -8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.892 4.844 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.205 4.898 -6.735 1.00 0.00 H new ATOM 517 N GLN A 32 -6.077 1.668 -5.639 1.00 0.00 N ATOM 518 CA GLN A 32 -6.908 1.019 -6.646 1.00 0.00 C ATOM 519 C GLN A 32 -7.140 -0.478 -6.420 1.00 0.00 C ATOM 520 O GLN A 32 -7.859 -0.856 -5.504 1.00 0.00 O ATOM 521 CB GLN A 32 -6.404 1.327 -8.057 1.00 0.00 C ATOM 522 CG GLN A 32 -6.392 2.832 -8.342 1.00 0.00 C ATOM 523 CD GLN A 32 -7.535 3.199 -9.279 1.00 0.00 C ATOM 524 OE1 GLN A 32 -7.457 2.970 -10.482 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.633 3.728 -8.769 1.00 0.00 N ATOM 0 H GLN A 32 -6.409 2.613 -5.445 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.900 1.458 -6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.398 0.926 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.038 0.824 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.485 3.387 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.440 3.117 -8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.691 3.916 -7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.422 3.949 -9.376 1.00 0.00 H new ATOM 534 N ASN A 33 -6.537 -1.338 -7.253 1.00 0.00 N ATOM 535 CA ASN A 33 -6.563 -2.788 -7.091 1.00 0.00 C ATOM 536 C ASN A 33 -5.464 -3.232 -6.136 1.00 0.00 C ATOM 537 O ASN A 33 -5.656 -4.213 -5.436 1.00 0.00 O ATOM 538 CB ASN A 33 -6.414 -3.509 -8.441 1.00 0.00 C ATOM 539 CG ASN A 33 -7.643 -3.325 -9.340 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.566 -4.131 -9.307 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.721 -2.268 -10.137 1.00 0.00 N ATOM 0 H ASN A 33 -6.009 -1.034 -8.071 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.532 -3.058 -6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.531 -3.132 -8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.251 -4.572 -8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.547 -2.128 -10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.955 -1.595 -10.168 1.00 0.00 H new ATOM 548 N GLY A 34 -4.345 -2.503 -6.059 1.00 0.00 N ATOM 549 CA GLY A 34 -3.283 -2.634 -5.059 1.00 0.00 C ATOM 550 C GLY A 34 -3.771 -2.826 -3.632 1.00 0.00 C ATOM 551 O GLY A 34 -3.075 -3.431 -2.829 1.00 0.00 O ATOM 0 H GLY A 34 -4.146 -1.763 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.651 -3.480 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.656 -1.743 -5.097 1.00 0.00 H new ATOM 555 N VAL A 35 -4.969 -2.352 -3.302 1.00 0.00 N ATOM 556 CA VAL A 35 -5.635 -2.619 -2.038 1.00 0.00 C ATOM 557 C VAL A 35 -5.660 -4.113 -1.660 1.00 0.00 C ATOM 558 O VAL A 35 -5.705 -4.407 -0.469 1.00 0.00 O ATOM 559 CB VAL A 35 -7.039 -2.006 -2.066 1.00 0.00 C ATOM 560 CG1 VAL A 35 -7.006 -0.487 -2.301 1.00 0.00 C ATOM 561 CG2 VAL A 35 -7.950 -2.702 -3.098 1.00 0.00 C ATOM 0 H VAL A 35 -5.515 -1.756 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.052 -2.145 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.466 -2.174 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.024 -0.098 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.444 -0.007 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.527 -0.277 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.936 -2.237 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.515 -2.603 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.044 -3.758 -2.846 1.00 0.00 H new ATOM 571 N PHE A 36 -5.580 -5.043 -2.627 1.00 0.00 N ATOM 572 CA PHE A 36 -5.407 -6.483 -2.452 1.00 0.00 C ATOM 573 C PHE A 36 -4.235 -6.832 -1.529 1.00 0.00 C ATOM 574 O PHE A 36 -4.296 -7.847 -0.842 1.00 0.00 O ATOM 575 CB PHE A 36 -5.162 -7.134 -3.823 1.00 0.00 C ATOM 576 CG PHE A 36 -6.291 -7.128 -4.850 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.496 -6.407 -4.672 1.00 0.00 C ATOM 578 CD2 PHE A 36 -6.103 -7.856 -6.040 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.477 -6.405 -5.675 1.00 0.00 C ATOM 580 CE2 PHE A 36 -7.083 -7.849 -7.046 1.00 0.00 C ATOM 581 CZ PHE A 36 -8.268 -7.117 -6.864 1.00 0.00 C ATOM 0 H PHE A 36 -5.639 -4.786 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.319 -6.861 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.302 -6.640 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.878 -8.172 -3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.661 -5.855 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.196 -8.426 -6.181 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.395 -5.854 -5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.926 -8.406 -7.958 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.018 -7.103 -7.641 1.00 0.00 H new ATOM 591 N TRP A 37 -3.194 -5.998 -1.468 1.00 0.00 N ATOM 592 CA TRP A 37 -2.082 -6.202 -0.552 1.00 0.00 C ATOM 593 C TRP A 37 -2.511 -6.155 0.919 1.00 0.00 C ATOM 594 O TRP A 37 -1.793 -6.702 1.755 1.00 0.00 O ATOM 595 CB TRP A 37 -1.011 -5.136 -0.783 1.00 0.00 C ATOM 596 CG TRP A 37 -0.093 -5.296 -1.943 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.045 -4.513 -3.040 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.935 -6.303 -2.118 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.962 -4.965 -3.873 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.595 -6.078 -3.353 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.345 -7.410 -1.357 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.619 -6.925 -3.806 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.387 -8.251 -1.785 1.00 0.00 C ATOM 604 CH2 TRP A 37 3.040 -7.994 -3.004 1.00 0.00 C ATOM 0 H TRP A 37 -3.103 -5.167 -2.052 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.688 -7.197 -0.757 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.516 -4.176 -0.889 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.401 -5.078 0.118 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.689 -3.669 -3.236 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.208 -4.530 -4.762 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.848 -7.620 -0.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.080 -6.753 -4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.686 -9.093 -1.179 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.863 -8.618 -3.321 1.00 0.00 H new ATOM 615 N ALA A 38 -3.640 -5.533 1.274 1.00 0.00 N ATOM 616 CA ALA A 38 -4.166 -5.499 2.636 1.00 0.00 C ATOM 617 C ALA A 38 -4.966 -6.754 2.918 1.00 0.00 C ATOM 618 O ALA A 38 -5.973 -6.650 3.614 1.00 0.00 O ATOM 619 CB ALA A 38 -5.043 -4.239 2.801 1.00 0.00 C ATOM 0 H ALA A 38 -4.223 -5.029 0.606 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.344 -5.459 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.441 -4.203 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.441 -3.350 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.867 -4.273 2.088 1.00 0.00 H new ATOM 625 N LEU A 39 -4.511 -7.910 2.423 1.00 0.00 N ATOM 626 CA LEU A 39 -5.175 -9.199 2.497 1.00 0.00 C ATOM 627 C LEU A 39 -4.408 -10.248 1.686 1.00 0.00 C ATOM 628 O LEU A 39 -4.943 -10.866 0.765 1.00 0.00 O ATOM 629 CB LEU A 39 -6.677 -9.115 2.172 1.00 0.00 C ATOM 630 CG LEU A 39 -7.161 -8.512 0.835 1.00 0.00 C ATOM 631 CD1 LEU A 39 -8.659 -8.815 0.800 1.00 0.00 C ATOM 632 CD2 LEU A 39 -7.098 -6.988 0.669 1.00 0.00 C ATOM 0 H LEU A 39 -3.618 -7.965 1.934 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.152 -9.536 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.075 -10.128 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.147 -8.542 2.971 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.509 -8.934 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.089 -8.420 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.813 -9.893 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.145 -8.348 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.470 -6.714 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.713 -6.513 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.066 -6.653 0.774 1.00 0.00 H new ATOM 644 N GLU A 40 -3.155 -10.477 2.080 1.00 0.00 N ATOM 645 CA GLU A 40 -2.297 -11.576 1.619 1.00 0.00 C ATOM 646 C GLU A 40 -1.857 -12.428 2.834 1.00 0.00 C ATOM 647 O GLU A 40 -2.516 -12.403 3.878 1.00 0.00 O ATOM 648 CB GLU A 40 -1.116 -11.031 0.789 1.00 0.00 C ATOM 649 CG GLU A 40 -1.498 -10.041 -0.323 1.00 0.00 C ATOM 650 CD GLU A 40 -1.801 -10.726 -1.664 1.00 0.00 C ATOM 651 OE1 GLU A 40 -0.864 -11.326 -2.245 1.00 0.00 O ATOM 652 OE2 GLU A 40 -2.936 -10.674 -2.188 1.00 0.00 O ATOM 0 H GLU A 40 -2.687 -9.877 2.759 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.852 -12.233 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.414 -10.541 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.590 -11.873 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.372 -9.470 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.685 -9.329 -0.462 1.00 0.00 H new ATOM 659 N GLU A 41 -0.787 -13.228 2.709 1.00 0.00 N ATOM 660 CA GLU A 41 -0.318 -14.180 3.728 1.00 0.00 C ATOM 661 C GLU A 41 0.996 -13.753 4.394 1.00 0.00 C ATOM 662 O GLU A 41 1.913 -14.562 4.572 1.00 0.00 O ATOM 663 CB GLU A 41 -0.186 -15.600 3.146 1.00 0.00 C ATOM 664 CG GLU A 41 -1.493 -16.297 2.765 1.00 0.00 C ATOM 665 CD GLU A 41 -1.225 -17.781 2.486 1.00 0.00 C ATOM 666 OE1 GLU A 41 -0.991 -18.563 3.440 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.242 -18.190 1.302 1.00 0.00 O ATOM 0 H GLU A 41 -0.206 -13.230 1.870 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.081 -14.184 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.447 -15.550 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.334 -16.222 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.220 -16.194 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.925 -15.824 1.883 1.00 0.00 H new ATOM 674 N LEU A 42 1.148 -12.471 4.705 1.00 0.00 N ATOM 675 CA LEU A 42 2.457 -11.915 5.031 1.00 0.00 C ATOM 676 C LEU A 42 2.292 -10.624 5.831 1.00 0.00 C ATOM 677 O LEU A 42 1.241 -10.382 6.422 1.00 0.00 O ATOM 678 CB LEU A 42 3.222 -11.759 3.697 1.00 0.00 C ATOM 679 CG LEU A 42 4.406 -12.741 3.532 1.00 0.00 C ATOM 680 CD1 LEU A 42 4.237 -13.682 2.326 1.00 0.00 C ATOM 681 CD2 LEU A 42 5.742 -11.999 3.400 1.00 0.00 C ATOM 0 H LEU A 42 0.383 -11.797 4.738 1.00 0.00 H new ATOM 0 HA LEU A 42 3.044 -12.565 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.525 -11.904 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.597 -10.738 3.622 1.00 0.00 H new ATOM 0 HG LEU A 42 4.411 -13.344 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.098 -14.348 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.330 -14.273 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.164 -13.093 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.550 -12.722 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.712 -11.348 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.915 -11.399 4.294 1.00 0.00 H new ATOM 693 N GLU A 43 3.350 -9.817 5.902 1.00 0.00 N ATOM 694 CA GLU A 43 3.370 -8.485 6.489 1.00 0.00 C ATOM 695 C GLU A 43 4.622 -7.767 5.971 1.00 0.00 C ATOM 696 O GLU A 43 5.529 -8.411 5.434 1.00 0.00 O ATOM 697 CB GLU A 43 3.322 -8.563 8.017 1.00 0.00 C ATOM 698 CG GLU A 43 4.493 -9.346 8.600 1.00 0.00 C ATOM 699 CD GLU A 43 4.293 -9.557 10.094 1.00 0.00 C ATOM 700 OE1 GLU A 43 4.362 -8.577 10.869 1.00 0.00 O ATOM 701 OE2 GLU A 43 4.080 -10.715 10.509 1.00 0.00 O ATOM 0 H GLU A 43 4.260 -10.092 5.532 1.00 0.00 H new ATOM 0 HA GLU A 43 2.488 -7.916 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.323 -7.554 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.387 -9.032 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.581 -10.309 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.424 -8.808 8.423 1.00 0.00 H new ATOM 708 N THR A 44 4.714 -6.457 6.168 1.00 0.00 N ATOM 709 CA THR A 44 5.955 -5.678 6.173 1.00 0.00 C ATOM 710 C THR A 44 6.142 -5.157 7.595 1.00 0.00 C ATOM 711 O THR A 44 5.156 -4.883 8.284 1.00 0.00 O ATOM 712 CB THR A 44 5.968 -4.566 5.114 1.00 0.00 C ATOM 713 OG1 THR A 44 7.233 -3.969 4.930 1.00 0.00 O ATOM 714 CG2 THR A 44 4.995 -3.494 5.463 1.00 0.00 C ATOM 0 H THR A 44 3.891 -5.879 6.337 1.00 0.00 H new ATOM 0 HA THR A 44 6.799 -6.307 5.891 1.00 0.00 H new ATOM 0 HB THR A 44 5.692 -5.058 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.169 -3.273 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.021 -2.717 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.992 -3.917 5.517 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.259 -3.063 6.429 1.00 0.00 H new ATOM 722 N PRO A 45 7.390 -4.955 8.028 1.00 0.00 N ATOM 723 CA PRO A 45 7.659 -4.185 9.221 1.00 0.00 C ATOM 724 C PRO A 45 7.601 -2.663 8.961 1.00 0.00 C ATOM 725 O PRO A 45 7.675 -1.871 9.902 1.00 0.00 O ATOM 726 CB PRO A 45 9.028 -4.680 9.647 1.00 0.00 C ATOM 727 CG PRO A 45 9.750 -5.069 8.362 1.00 0.00 C ATOM 728 CD PRO A 45 8.625 -5.424 7.411 1.00 0.00 C ATOM 0 HA PRO A 45 6.913 -4.323 10.004 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.575 -3.904 10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.943 -5.533 10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.355 -4.247 7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.422 -5.913 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.776 -4.952 6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.588 -6.500 7.240 1.00 0.00 H new ATOM 736 N ALA A 46 7.426 -2.243 7.703 1.00 0.00 N ATOM 737 CA ALA A 46 7.336 -0.846 7.285 1.00 0.00 C ATOM 738 C ALA A 46 5.946 -0.288 7.604 1.00 0.00 C ATOM 739 O ALA A 46 5.052 -1.048 7.990 1.00 0.00 O ATOM 740 CB ALA A 46 7.535 -0.809 5.765 1.00 0.00 C ATOM 0 H ALA A 46 7.340 -2.893 6.922 1.00 0.00 H new ATOM 0 HA ALA A 46 8.087 -0.251 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.474 0.222 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.514 -1.220 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.759 -1.403 5.282 1.00 0.00 H new ATOM 746 N LYS A 47 5.712 1.017 7.408 1.00 0.00 N ATOM 747 CA LYS A 47 4.383 1.563 7.594 1.00 0.00 C ATOM 748 C LYS A 47 3.585 1.214 6.347 1.00 0.00 C ATOM 749 O LYS A 47 4.124 1.262 5.234 1.00 0.00 O ATOM 750 CB LYS A 47 4.476 3.050 7.917 1.00 0.00 C ATOM 751 CG LYS A 47 5.123 3.834 6.779 1.00 0.00 C ATOM 752 CD LYS A 47 5.189 5.330 7.055 1.00 0.00 C ATOM 753 CE LYS A 47 4.867 6.114 5.788 1.00 0.00 C ATOM 754 NZ LYS A 47 5.221 7.553 5.844 1.00 0.00 N ATOM 0 H LYS A 47 6.420 1.695 7.126 1.00 0.00 H new ATOM 0 HA LYS A 47 3.857 1.135 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.478 3.444 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.055 3.189 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.131 3.456 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.561 3.663 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.484 5.593 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.183 5.597 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.393 5.657 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.800 6.024 5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.227 7.947 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.520 8.061 6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.164 7.662 6.269 1.00 0.00 H new ATOM 768 N VAL A 48 2.330 0.824 6.529 1.00 0.00 N ATOM 769 CA VAL A 48 1.449 0.402 5.466 1.00 0.00 C ATOM 770 C VAL A 48 0.132 1.041 5.777 1.00 0.00 C ATOM 771 O VAL A 48 -0.344 1.022 6.907 1.00 0.00 O ATOM 772 CB VAL A 48 1.286 -1.121 5.412 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.481 -1.562 4.179 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.651 -1.774 5.324 1.00 0.00 C ATOM 0 H VAL A 48 1.891 0.794 7.449 1.00 0.00 H new ATOM 0 HA VAL A 48 1.850 0.695 4.496 1.00 0.00 H new ATOM 0 HB VAL A 48 0.757 -1.423 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.387 -2.648 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.511 -1.112 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.996 -1.240 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.534 -2.857 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.161 -1.432 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.241 -1.503 6.200 1.00 0.00 H new ATOM 784 N TYR A 49 -0.431 1.611 4.736 1.00 0.00 N ATOM 785 CA TYR A 49 -1.742 2.196 4.745 1.00 0.00 C ATOM 786 C TYR A 49 -2.310 1.935 3.355 1.00 0.00 C ATOM 787 O TYR A 49 -1.580 1.501 2.466 1.00 0.00 O ATOM 788 CB TYR A 49 -1.600 3.685 5.029 1.00 0.00 C ATOM 789 CG TYR A 49 -0.885 4.082 6.322 1.00 0.00 C ATOM 790 CD1 TYR A 49 0.512 4.267 6.326 1.00 0.00 C ATOM 791 CD2 TYR A 49 -1.605 4.319 7.513 1.00 0.00 C ATOM 792 CE1 TYR A 49 1.159 4.770 7.468 1.00 0.00 C ATOM 793 CE2 TYR A 49 -0.955 4.779 8.673 1.00 0.00 C ATOM 794 CZ TYR A 49 0.433 5.027 8.646 1.00 0.00 C ATOM 795 OH TYR A 49 1.077 5.510 9.742 1.00 0.00 O ATOM 0 H TYR A 49 0.032 1.680 3.830 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.402 1.780 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.067 4.139 4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.598 4.123 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.089 4.021 5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.671 4.145 7.534 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.222 4.961 7.441 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.517 4.942 9.581 1.00 0.00 H new ATOM 0 HH TYR A 49 0.434 5.634 10.471 1.00 0.00 H new ATOM 805 N ALA A 50 -3.592 2.167 3.127 1.00 0.00 N ATOM 806 CA ALA A 50 -4.231 1.835 1.860 1.00 0.00 C ATOM 807 C ALA A 50 -5.334 2.873 1.608 1.00 0.00 C ATOM 808 O ALA A 50 -5.861 3.447 2.566 1.00 0.00 O ATOM 809 CB ALA A 50 -4.757 0.417 2.011 1.00 0.00 C ATOM 0 H ALA A 50 -4.219 2.589 3.811 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.562 1.866 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.249 0.111 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.928 -0.258 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.472 0.380 2.833 1.00 0.00 H new ATOM 815 N ILE A 51 -5.658 3.156 0.346 1.00 0.00 N ATOM 816 CA ILE A 51 -6.639 4.169 -0.030 1.00 0.00 C ATOM 817 C ILE A 51 -8.038 3.612 0.136 1.00 0.00 C ATOM 818 O ILE A 51 -8.572 2.898 -0.715 1.00 0.00 O ATOM 819 CB ILE A 51 -6.332 4.735 -1.439 1.00 0.00 C ATOM 820 CG1 ILE A 51 -5.006 5.498 -1.508 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.409 5.725 -1.925 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.751 6.462 -0.355 1.00 0.00 C ATOM 0 H ILE A 51 -5.239 2.680 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.574 5.027 0.638 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.296 3.846 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.191 4.775 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.976 6.058 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.145 6.092 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.374 5.220 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.470 6.565 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.788 6.952 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.540 7.214 -0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.743 5.911 0.585 1.00 0.00 H new ATOM 834 N LYS A 52 -8.652 4.057 1.233 1.00 0.00 N ATOM 835 CA LYS A 52 -10.040 3.852 1.569 1.00 0.00 C ATOM 836 C LYS A 52 -10.936 4.081 0.372 1.00 0.00 C ATOM 837 O LYS A 52 -11.678 3.181 0.008 1.00 0.00 O ATOM 838 CB LYS A 52 -10.411 4.721 2.787 1.00 0.00 C ATOM 839 CG LYS A 52 -11.884 4.543 3.173 1.00 0.00 C ATOM 840 CD LYS A 52 -12.142 4.435 4.674 1.00 0.00 C ATOM 841 CE LYS A 52 -12.056 5.724 5.496 1.00 0.00 C ATOM 842 NZ LYS A 52 -12.719 5.541 6.810 1.00 0.00 N ATOM 0 H LYS A 52 -8.157 4.598 1.942 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.197 2.811 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.777 4.455 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.217 5.769 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.453 5.386 2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.267 3.646 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.136 4.010 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.429 3.722 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.012 6.001 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.529 6.542 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.316 6.208 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.739 5.719 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.568 4.567 7.142 1.00 0.00 H new ATOM 856 N ASP A 53 -10.886 5.261 -0.241 1.00 0.00 N ATOM 857 CA ASP A 53 -11.851 5.576 -1.296 1.00 0.00 C ATOM 858 C ASP A 53 -11.724 4.614 -2.476 1.00 0.00 C ATOM 859 O ASP A 53 -12.733 4.177 -3.017 1.00 0.00 O ATOM 860 CB ASP A 53 -11.742 7.038 -1.736 1.00 0.00 C ATOM 861 CG ASP A 53 -13.139 7.609 -1.968 1.00 0.00 C ATOM 862 OD1 ASP A 53 -13.829 7.878 -0.953 1.00 0.00 O ATOM 863 OD2 ASP A 53 -13.537 7.861 -3.121 1.00 0.00 O ATOM 0 H ASP A 53 -10.210 5.997 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.849 5.441 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.222 7.620 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.152 7.110 -2.650 1.00 0.00 H new ATOM 868 N ASP A 54 -10.499 4.193 -2.807 1.00 0.00 N ATOM 869 CA ASP A 54 -10.238 3.207 -3.844 1.00 0.00 C ATOM 870 C ASP A 54 -10.716 1.814 -3.443 1.00 0.00 C ATOM 871 O ASP A 54 -11.177 1.085 -4.315 1.00 0.00 O ATOM 872 CB ASP A 54 -8.738 3.127 -4.164 1.00 0.00 C ATOM 873 CG ASP A 54 -8.267 4.085 -5.256 1.00 0.00 C ATOM 874 OD1 ASP A 54 -9.053 4.449 -6.158 1.00 0.00 O ATOM 875 OD2 ASP A 54 -7.048 4.358 -5.314 1.00 0.00 O ATOM 0 H ASP A 54 -9.653 4.537 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.793 3.536 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.175 3.330 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.499 2.107 -4.466 1.00 0.00 H new ATOM 880 N PHE A 55 -10.600 1.425 -2.170 1.00 0.00 N ATOM 881 CA PHE A 55 -11.046 0.135 -1.630 1.00 0.00 C ATOM 882 C PHE A 55 -12.570 0.053 -1.672 1.00 0.00 C ATOM 883 O PHE A 55 -13.144 -0.946 -2.102 1.00 0.00 O ATOM 884 CB PHE A 55 -10.536 0.015 -0.184 1.00 0.00 C ATOM 885 CG PHE A 55 -10.440 -1.365 0.462 1.00 0.00 C ATOM 886 CD1 PHE A 55 -9.889 -2.464 -0.216 1.00 0.00 C ATOM 887 CD2 PHE A 55 -10.823 -1.545 1.801 1.00 0.00 C ATOM 888 CE1 PHE A 55 -9.713 -3.708 0.412 1.00 0.00 C ATOM 889 CE2 PHE A 55 -10.730 -2.806 2.412 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.164 -3.891 1.725 1.00 0.00 C ATOM 0 H PHE A 55 -10.177 2.022 -1.459 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.648 -0.685 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.543 0.463 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.184 0.626 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.592 -2.350 -1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.194 -0.704 2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.232 -4.519 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.097 -2.942 3.419 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.077 -4.855 2.203 1.00 0.00 H new ATOM 900 N LEU A 56 -13.227 1.142 -1.284 1.00 0.00 N ATOM 901 CA LEU A 56 -14.667 1.306 -1.352 1.00 0.00 C ATOM 902 C LEU A 56 -15.090 1.265 -2.815 1.00 0.00 C ATOM 903 O LEU A 56 -16.042 0.569 -3.174 1.00 0.00 O ATOM 904 CB LEU A 56 -15.057 2.629 -0.672 1.00 0.00 C ATOM 905 CG LEU A 56 -14.726 2.653 0.837 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.840 4.092 1.356 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.725 1.807 1.633 1.00 0.00 C ATOM 0 H LEU A 56 -12.751 1.959 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.182 0.502 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.538 3.451 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.125 2.799 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.719 2.256 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.607 4.114 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.139 4.730 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.855 4.456 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.469 1.842 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.731 2.202 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.687 0.775 1.284 1.00 0.00 H new ATOM 919 N ALA A 57 -14.341 1.930 -3.698 1.00 0.00 N ATOM 920 CA ALA A 57 -14.544 1.819 -5.131 1.00 0.00 C ATOM 921 C ALA A 57 -14.228 0.413 -5.653 1.00 0.00 C ATOM 922 O ALA A 57 -14.719 0.050 -6.722 1.00 0.00 O ATOM 923 CB ALA A 57 -13.727 2.867 -5.887 1.00 0.00 C ATOM 0 H ALA A 57 -13.581 2.557 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.602 2.006 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.899 2.759 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.031 3.864 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.667 2.725 -5.674 1.00 0.00 H new ATOM 929 N ARG A 58 -13.471 -0.407 -4.917 1.00 0.00 N ATOM 930 CA ARG A 58 -13.198 -1.796 -5.285 1.00 0.00 C ATOM 931 C ARG A 58 -14.150 -2.703 -4.502 1.00 0.00 C ATOM 932 O ARG A 58 -13.850 -3.881 -4.324 1.00 0.00 O ATOM 933 CB ARG A 58 -11.725 -2.065 -4.889 1.00 0.00 C ATOM 934 CG ARG A 58 -11.034 -3.346 -5.379 1.00 0.00 C ATOM 935 CD ARG A 58 -10.273 -3.192 -6.694 1.00 0.00 C ATOM 936 NE ARG A 58 -11.177 -3.059 -7.841 1.00 0.00 N ATOM 937 CZ ARG A 58 -11.766 -4.047 -8.521 1.00 0.00 C ATOM 938 NH1 ARG A 58 -11.566 -5.322 -8.187 1.00 0.00 N ATOM 939 NH2 ARG A 58 -12.556 -3.743 -9.542 1.00 0.00 N ATOM 0 H ARG A 58 -13.028 -0.122 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.346 -1.987 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.133 -1.220 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.673 -2.061 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.340 -3.686 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.786 -4.126 -5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.627 -2.316 -6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.626 -4.056 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.378 -2.109 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.956 -5.554 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.023 -6.065 -8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.706 -2.767 -9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.013 -4.485 -10.072 1.00 0.00 H new ATOM 953 N GLY A 59 -15.387 -2.273 -4.256 1.00 0.00 N ATOM 954 CA GLY A 59 -16.421 -3.093 -3.641 1.00 0.00 C ATOM 955 C GLY A 59 -16.026 -3.779 -2.326 1.00 0.00 C ATOM 956 O GLY A 59 -16.632 -4.803 -2.015 1.00 0.00 O ATOM 0 H GLY A 59 -15.700 -1.329 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.294 -2.467 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.724 -3.860 -4.354 1.00 0.00 H new ATOM 960 N TYR A 60 -15.037 -3.271 -1.583 1.00 0.00 N ATOM 961 CA TYR A 60 -14.649 -3.787 -0.278 1.00 0.00 C ATOM 962 C TYR A 60 -15.300 -2.936 0.809 1.00 0.00 C ATOM 963 O TYR A 60 -15.755 -1.816 0.569 1.00 0.00 O ATOM 964 CB TYR A 60 -13.124 -3.724 -0.115 1.00 0.00 C ATOM 965 CG TYR A 60 -12.335 -4.822 -0.797 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.046 -5.995 -0.078 1.00 0.00 C ATOM 967 CD2 TYR A 60 -11.793 -4.642 -2.085 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.255 -7.000 -0.647 1.00 0.00 C ATOM 969 CE2 TYR A 60 -10.986 -5.645 -2.655 1.00 0.00 C ATOM 970 CZ TYR A 60 -10.706 -6.825 -1.935 1.00 0.00 C ATOM 971 OH TYR A 60 -9.881 -7.777 -2.455 1.00 0.00 O ATOM 0 H TYR A 60 -14.476 -2.474 -1.883 1.00 0.00 H new ATOM 0 HA TYR A 60 -14.976 -4.823 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.777 -2.764 -0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -12.892 -3.745 0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.437 -6.122 0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.997 -3.735 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.065 -7.911 -0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.580 -5.510 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.238 -7.356 -3.064 1.00 0.00 H new ATOM 981 N SER A 61 -15.276 -3.439 2.036 1.00 0.00 N ATOM 982 CA SER A 61 -15.771 -2.815 3.249 1.00 0.00 C ATOM 983 C SER A 61 -14.586 -2.458 4.146 1.00 0.00 C ATOM 984 O SER A 61 -13.482 -2.960 3.927 1.00 0.00 O ATOM 985 CB SER A 61 -16.686 -3.846 3.901 1.00 0.00 C ATOM 986 OG SER A 61 -17.593 -3.245 4.788 1.00 0.00 O ATOM 0 H SER A 61 -14.881 -4.361 2.219 1.00 0.00 H new ATOM 0 HA SER A 61 -16.318 -1.891 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.235 -4.386 3.129 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.084 -4.580 4.437 1.00 0.00 H new ATOM 0 HG SER A 61 -18.165 -3.933 5.187 1.00 0.00 H new ATOM 992 N GLU A 62 -14.775 -1.600 5.151 1.00 0.00 N ATOM 993 CA GLU A 62 -13.645 -1.048 5.889 1.00 0.00 C ATOM 994 C GLU A 62 -12.941 -2.105 6.739 1.00 0.00 C ATOM 995 O GLU A 62 -11.751 -1.990 7.035 1.00 0.00 O ATOM 996 CB GLU A 62 -14.063 0.114 6.794 1.00 0.00 C ATOM 997 CG GLU A 62 -14.430 1.383 6.012 1.00 0.00 C ATOM 998 CD GLU A 62 -14.122 2.672 6.784 1.00 0.00 C ATOM 999 OE1 GLU A 62 -12.988 2.819 7.310 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -14.945 3.614 6.718 1.00 0.00 O ATOM 0 H GLU A 62 -15.690 -1.278 5.467 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.952 -0.681 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.916 -0.193 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.249 0.341 7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.885 1.392 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.492 1.358 5.767 1.00 0.00 H new ATOM 1007 N GLU A 63 -13.670 -3.143 7.136 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.156 -4.186 8.007 1.00 0.00 C ATOM 1009 C GLU A 63 -12.635 -5.386 7.203 1.00 0.00 C ATOM 1010 O GLU A 63 -12.129 -6.348 7.784 1.00 0.00 O ATOM 1011 CB GLU A 63 -14.257 -4.563 9.004 1.00 0.00 C ATOM 1012 CG GLU A 63 -13.693 -4.835 10.400 1.00 0.00 C ATOM 1013 CD GLU A 63 -14.848 -5.025 11.379 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -15.428 -6.133 11.375 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -15.171 -4.071 12.124 1.00 0.00 O ATOM 0 H GLU A 63 -14.642 -3.282 6.858 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.293 -3.821 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.989 -3.757 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.783 -5.448 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.064 -5.725 10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.063 -4.005 10.719 1.00 0.00 H new ATOM 1022 N ASP A 64 -12.730 -5.339 5.870 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.255 -6.413 5.000 1.00 0.00 C ATOM 1024 C ASP A 64 -10.741 -6.339 4.811 1.00 0.00 C ATOM 1025 O ASP A 64 -10.119 -7.336 4.445 1.00 0.00 O ATOM 1026 CB ASP A 64 -12.887 -6.331 3.605 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.395 -6.551 3.541 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.004 -7.164 4.447 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -14.995 -6.148 2.523 1.00 0.00 O ATOM 0 H ASP A 64 -13.140 -4.553 5.366 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.538 -7.346 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.665 -5.351 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.404 -7.070 2.965 1.00 0.00 H new ATOM 1034 N SER A 65 -10.130 -5.169 5.020 1.00 0.00 N ATOM 1035 CA SER A 65 -8.690 -5.008 4.885 1.00 0.00 C ATOM 1036 C SER A 65 -8.013 -5.446 6.187 1.00 0.00 C ATOM 1037 O SER A 65 -8.644 -5.464 7.249 1.00 0.00 O ATOM 1038 CB SER A 65 -8.367 -3.561 4.468 1.00 0.00 C ATOM 1039 OG SER A 65 -7.401 -2.894 5.248 1.00 0.00 O ATOM 0 H SER A 65 -10.621 -4.315 5.286 1.00 0.00 H new ATOM 0 HA SER A 65 -8.293 -5.646 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.026 -3.570 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.290 -2.982 4.495 1.00 0.00 H new ATOM 0 HG SER A 65 -7.841 -2.441 5.997 1.00 0.00 H new ATOM 1045 N LYS A 66 -6.707 -5.711 6.127 1.00 0.00 N ATOM 1046 CA LYS A 66 -5.879 -5.960 7.297 1.00 0.00 C ATOM 1047 C LYS A 66 -4.798 -4.895 7.453 1.00 0.00 C ATOM 1048 O LYS A 66 -3.731 -5.207 7.978 1.00 0.00 O ATOM 1049 CB LYS A 66 -5.318 -7.397 7.179 1.00 0.00 C ATOM 1050 CG LYS A 66 -4.325 -7.645 6.028 1.00 0.00 C ATOM 1051 CD LYS A 66 -3.050 -8.428 6.380 1.00 0.00 C ATOM 1052 CE LYS A 66 -2.820 -9.623 5.441 1.00 0.00 C ATOM 1053 NZ LYS A 66 -3.619 -10.797 5.862 1.00 0.00 N ATOM 0 H LYS A 66 -6.192 -5.758 5.248 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.469 -5.890 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.825 -7.651 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.156 -8.084 7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.847 -8.182 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.030 -6.679 5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.191 -7.759 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.118 -8.784 7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.087 -9.345 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.762 -9.884 5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.405 -11.603 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.382 -11.044 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.632 -10.569 5.797 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.086 -3.628 7.136 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.197 -2.472 7.342 1.00 0.00 C ATOM 1069 C VAL A 67 -5.058 -1.228 7.583 1.00 0.00 C ATOM 1070 O VAL A 67 -6.268 -1.271 7.361 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.206 -2.297 6.153 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -2.529 -3.598 5.728 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -3.801 -1.591 4.927 1.00 0.00 C ATOM 0 H VAL A 67 -5.977 -3.366 6.713 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.573 -2.636 8.221 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.444 -1.635 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.853 -3.401 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.964 -4.005 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.286 -4.318 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.042 -1.512 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.648 -2.166 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.136 -0.593 5.209 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.481 -0.111 8.047 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.221 1.123 8.238 1.00 0.00 C ATOM 1085 C PRO A 68 -5.605 1.738 6.894 1.00 0.00 C ATOM 1086 O PRO A 68 -4.758 2.142 6.091 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.333 2.007 9.114 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.924 1.461 8.915 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.129 0.005 8.560 1.00 0.00 C ATOM 0 HA PRO A 68 -6.178 0.974 8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.398 3.053 8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.633 1.956 10.161 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.400 1.993 8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.325 1.569 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.403 -0.318 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.991 -0.630 9.435 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.913 1.795 6.664 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.542 2.432 5.526 1.00 0.00 C ATOM 1099 C LEU A 69 -7.599 3.924 5.772 1.00 0.00 C ATOM 1100 O LEU A 69 -8.361 4.396 6.617 1.00 0.00 O ATOM 1101 CB LEU A 69 -8.961 1.875 5.349 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.079 0.376 5.093 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.568 0.049 5.026 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.400 0.003 3.779 1.00 0.00 C ATOM 0 H LEU A 69 -7.591 1.376 7.301 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.968 2.233 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.535 2.114 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.432 2.401 4.519 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.591 -0.188 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.698 -1.018 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.042 0.316 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.029 0.615 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.494 -1.070 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.875 0.540 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.345 0.272 3.826 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.781 4.657 5.032 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.638 6.101 5.136 1.00 0.00 C ATOM 1118 C ILE A 70 -7.234 6.754 3.884 1.00 0.00 C ATOM 1119 O ILE A 70 -7.579 6.051 2.930 1.00 0.00 O ATOM 1120 CB ILE A 70 -5.155 6.443 5.364 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -4.298 6.273 4.090 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.602 5.651 6.565 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.865 6.788 4.252 1.00 0.00 C ATOM 0 H ILE A 70 -6.178 4.249 4.318 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.187 6.498 5.990 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.092 7.504 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.269 5.218 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.776 6.802 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.552 5.903 6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.168 5.907 7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.695 4.583 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.317 6.639 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.885 7.850 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.371 6.242 5.055 1.00 0.00 H new ATOM 1135 N THR A 71 -7.357 8.081 3.853 1.00 0.00 N ATOM 1136 CA THR A 71 -7.802 8.751 2.639 1.00 0.00 C ATOM 1137 C THR A 71 -6.615 9.001 1.695 1.00 0.00 C ATOM 1138 O THR A 71 -5.452 8.887 2.096 1.00 0.00 O ATOM 1139 CB THR A 71 -8.481 10.075 2.988 1.00 0.00 C ATOM 1140 OG1 THR A 71 -7.610 10.963 3.657 1.00 0.00 O ATOM 1141 CG2 THR A 71 -9.746 9.855 3.821 1.00 0.00 C ATOM 0 H THR A 71 -7.159 8.700 4.639 1.00 0.00 H new ATOM 0 HA THR A 71 -8.520 8.106 2.132 1.00 0.00 H new ATOM 0 HB THR A 71 -8.763 10.533 2.040 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.084 11.796 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.202 10.818 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.451 9.244 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.486 9.346 4.749 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.894 9.440 0.461 1.00 0.00 N ATOM 1150 CA TYR A 72 -5.852 9.952 -0.431 1.00 0.00 C ATOM 1151 C TYR A 72 -5.027 11.061 0.238 1.00 0.00 C ATOM 1152 O TYR A 72 -3.808 11.046 0.126 1.00 0.00 O ATOM 1153 CB TYR A 72 -6.444 10.484 -1.732 1.00 0.00 C ATOM 1154 CG TYR A 72 -6.790 9.457 -2.787 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -5.849 9.162 -3.789 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -8.093 8.938 -2.877 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -6.239 8.449 -4.933 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -8.505 8.255 -4.033 1.00 0.00 C ATOM 1159 CZ TYR A 72 -7.588 8.047 -5.085 1.00 0.00 C ATOM 1160 OH TYR A 72 -8.023 7.483 -6.245 1.00 0.00 O ATOM 0 H TYR A 72 -7.832 9.450 0.060 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.196 9.111 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.348 11.044 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.737 11.192 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.824 9.485 -3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.780 9.065 -2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.513 8.208 -5.695 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.518 7.891 -4.116 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.451 6.623 -6.050 1.00 0.00 H new ATOM 1170 N SER A 73 -5.651 12.027 0.919 1.00 0.00 N ATOM 1171 CA SER A 73 -4.893 13.150 1.470 1.00 0.00 C ATOM 1172 C SER A 73 -3.975 12.720 2.627 1.00 0.00 C ATOM 1173 O SER A 73 -2.865 13.245 2.743 1.00 0.00 O ATOM 1174 CB SER A 73 -5.821 14.280 1.909 1.00 0.00 C ATOM 1175 OG SER A 73 -6.730 14.672 0.892 1.00 0.00 O ATOM 0 H SER A 73 -6.655 12.054 1.098 1.00 0.00 H new ATOM 0 HA SER A 73 -4.254 13.521 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.382 13.963 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.222 15.141 2.206 1.00 0.00 H new ATOM 0 HG SER A 73 -7.301 15.396 1.225 1.00 0.00 H new ATOM 1181 N GLU A 74 -4.397 11.754 3.457 1.00 0.00 N ATOM 1182 CA GLU A 74 -3.538 11.129 4.451 1.00 0.00 C ATOM 1183 C GLU A 74 -2.354 10.483 3.736 1.00 0.00 C ATOM 1184 O GLU A 74 -1.227 10.701 4.160 1.00 0.00 O ATOM 1185 CB GLU A 74 -4.299 10.123 5.332 1.00 0.00 C ATOM 1186 CG GLU A 74 -5.270 10.787 6.324 1.00 0.00 C ATOM 1187 CD GLU A 74 -5.432 10.024 7.648 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -6.039 8.929 7.700 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -4.998 10.561 8.700 1.00 0.00 O ATOM 0 H GLU A 74 -5.349 11.389 3.450 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.172 11.894 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.857 9.441 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.579 9.522 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.919 11.796 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.247 10.883 5.850 1.00 0.00 H new ATOM 1196 N PHE A 75 -2.580 9.750 2.639 1.00 0.00 N ATOM 1197 CA PHE A 75 -1.512 9.132 1.856 1.00 0.00 C ATOM 1198 C PHE A 75 -0.496 10.161 1.391 1.00 0.00 C ATOM 1199 O PHE A 75 0.696 9.896 1.546 1.00 0.00 O ATOM 1200 CB PHE A 75 -2.099 8.342 0.685 1.00 0.00 C ATOM 1201 CG PHE A 75 -1.219 8.084 -0.534 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.075 7.549 -0.393 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -1.743 8.272 -1.831 1.00 0.00 C ATOM 1204 CE1 PHE A 75 0.794 7.122 -1.521 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -1.010 7.872 -2.962 1.00 0.00 C ATOM 1206 CZ PHE A 75 0.250 7.273 -2.805 1.00 0.00 C ATOM 0 H PHE A 75 -3.514 9.570 2.271 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.978 8.432 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.426 7.375 1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.991 8.868 0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.518 7.466 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.715 8.727 -1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.770 6.675 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.416 8.025 -3.951 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.798 6.930 -3.670 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.937 11.310 0.870 1.00 0.00 N ATOM 1217 CA ILE A 76 -0.018 12.348 0.426 1.00 0.00 C ATOM 1218 C ILE A 76 0.924 12.722 1.565 1.00 0.00 C ATOM 1219 O ILE A 76 2.124 12.773 1.316 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.751 13.572 -0.176 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -1.643 13.222 -1.385 1.00 0.00 C ATOM 1222 CG2 ILE A 76 0.263 14.652 -0.598 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.973 12.400 -2.494 1.00 0.00 C ATOM 0 H ILE A 76 -1.923 11.539 0.748 1.00 0.00 H new ATOM 0 HA ILE A 76 0.582 11.950 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.404 13.945 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.511 12.671 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.013 14.150 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.268 15.505 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.835 14.974 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.941 14.242 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.691 12.212 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.123 12.953 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.629 11.450 -2.085 1.00 0.00 H new ATOM 1235 N ASP A 77 0.436 12.904 2.801 1.00 0.00 N ATOM 1236 CA ASP A 77 1.292 13.261 3.944 1.00 0.00 C ATOM 1237 C ASP A 77 2.431 12.258 4.134 1.00 0.00 C ATOM 1238 O ASP A 77 3.552 12.598 4.524 1.00 0.00 O ATOM 1239 CB ASP A 77 0.464 13.399 5.229 1.00 0.00 C ATOM 1240 CG ASP A 77 1.356 13.587 6.465 1.00 0.00 C ATOM 1241 OD1 ASP A 77 2.096 14.594 6.532 1.00 0.00 O ATOM 1242 OD2 ASP A 77 1.258 12.780 7.424 1.00 0.00 O ATOM 0 H ASP A 77 -0.552 12.809 3.036 1.00 0.00 H new ATOM 0 HA ASP A 77 1.742 14.229 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.212 14.249 5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.155 12.512 5.359 1.00 0.00 H new ATOM 1247 N LEU A 78 2.165 10.998 3.801 1.00 0.00 N ATOM 1248 CA LEU A 78 3.121 9.929 4.000 1.00 0.00 C ATOM 1249 C LEU A 78 4.202 9.896 2.904 1.00 0.00 C ATOM 1250 O LEU A 78 5.134 9.102 3.050 1.00 0.00 O ATOM 1251 CB LEU A 78 2.406 8.571 4.096 1.00 0.00 C ATOM 1252 CG LEU A 78 1.115 8.530 4.926 1.00 0.00 C ATOM 1253 CD1 LEU A 78 0.720 7.076 5.115 1.00 0.00 C ATOM 1254 CD2 LEU A 78 1.184 9.183 6.312 1.00 0.00 C ATOM 0 H LEU A 78 1.282 10.697 3.388 1.00 0.00 H new ATOM 0 HA LEU A 78 3.629 10.128 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.172 8.237 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.104 7.847 4.517 1.00 0.00 H new ATOM 0 HG LEU A 78 0.390 9.115 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.196 7.021 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.555 6.614 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.518 6.547 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.216 9.093 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.944 8.683 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.441 10.237 6.205 1.00 0.00 H new ATOM 1266 N LEU A 79 4.068 10.714 1.847 1.00 0.00 N ATOM 1267 CA LEU A 79 5.006 10.953 0.735 1.00 0.00 C ATOM 1268 C LEU A 79 5.747 12.275 0.878 1.00 0.00 C ATOM 1269 O LEU A 79 6.622 12.596 0.074 1.00 0.00 O ATOM 1270 CB LEU A 79 4.274 11.073 -0.602 1.00 0.00 C ATOM 1271 CG LEU A 79 3.333 9.919 -0.967 1.00 0.00 C ATOM 1272 CD1 LEU A 79 2.558 10.333 -2.216 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.145 8.640 -1.197 1.00 0.00 C ATOM 0 H LEU A 79 3.224 11.276 1.738 1.00 0.00 H new ATOM 0 HA LEU A 79 5.687 10.102 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.695 11.997 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.018 11.170 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 79 2.630 9.710 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.877 9.532 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.987 11.237 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.256 10.526 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.471 7.823 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.852 8.799 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.690 8.386 -0.288 1.00 0.00 H new ATOM 1285 N GLU A 80 5.331 13.124 1.807 1.00 0.00 N ATOM 1286 CA GLU A 80 5.920 14.448 1.948 1.00 0.00 C ATOM 1287 C GLU A 80 7.355 14.237 2.388 1.00 0.00 C ATOM 1288 O GLU A 80 7.603 13.684 3.464 1.00 0.00 O ATOM 1289 CB GLU A 80 5.126 15.321 2.920 1.00 0.00 C ATOM 1290 CG GLU A 80 3.715 15.523 2.371 1.00 0.00 C ATOM 1291 CD GLU A 80 3.588 16.606 1.301 1.00 0.00 C ATOM 1292 OE1 GLU A 80 4.104 16.419 0.172 1.00 0.00 O ATOM 1293 OE2 GLU A 80 2.888 17.612 1.577 1.00 0.00 O ATOM 0 H GLU A 80 4.587 12.919 2.475 1.00 0.00 H new ATOM 0 HA GLU A 80 5.894 14.992 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.084 14.849 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.620 16.284 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.365 14.579 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.051 15.772 3.199 1.00 0.00 H new ATOM 1300 N GLY A 81 8.292 14.591 1.514 1.00 0.00 N ATOM 1301 CA GLY A 81 9.695 14.356 1.746 1.00 0.00 C ATOM 1302 C GLY A 81 10.132 12.917 1.480 1.00 0.00 C ATOM 1303 O GLY A 81 11.196 12.565 1.993 1.00 0.00 O ATOM 0 H GLY A 81 8.089 15.049 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.276 15.025 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.931 14.612 2.779 1.00 0.00 H new ATOM 1307 N GLU A 82 9.382 12.094 0.733 1.00 0.00 N ATOM 1308 CA GLU A 82 9.843 10.775 0.309 1.00 0.00 C ATOM 1309 C GLU A 82 9.283 10.448 -1.078 1.00 0.00 C ATOM 1310 O GLU A 82 8.064 10.350 -1.225 1.00 0.00 O ATOM 1311 CB GLU A 82 9.333 9.694 1.281 1.00 0.00 C ATOM 1312 CG GLU A 82 10.187 9.396 2.518 1.00 0.00 C ATOM 1313 CD GLU A 82 11.482 8.636 2.197 1.00 0.00 C ATOM 1314 OE1 GLU A 82 12.219 9.021 1.266 1.00 0.00 O ATOM 1315 OE2 GLU A 82 11.794 7.624 2.867 1.00 0.00 O ATOM 0 H GLU A 82 8.443 12.328 0.410 1.00 0.00 H new ATOM 0 HA GLU A 82 10.933 10.788 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.340 9.988 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.216 8.766 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.438 10.335 3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.598 8.812 3.225 1.00 0.00 H new ATOM 1322 N GLU A 83 10.140 10.159 -2.069 1.00 0.00 N ATOM 1323 CA GLU A 83 9.690 9.654 -3.371 1.00 0.00 C ATOM 1324 C GLU A 83 10.370 8.371 -3.851 1.00 0.00 C ATOM 1325 O GLU A 83 11.349 8.402 -4.601 1.00 0.00 O ATOM 1326 CB GLU A 83 9.732 10.753 -4.445 1.00 0.00 C ATOM 1327 CG GLU A 83 8.405 11.494 -4.562 1.00 0.00 C ATOM 1328 CD GLU A 83 8.365 12.336 -5.845 1.00 0.00 C ATOM 1329 OE1 GLU A 83 9.057 13.380 -5.909 1.00 0.00 O ATOM 1330 OE2 GLU A 83 7.653 11.938 -6.795 1.00 0.00 O ATOM 0 H GLU A 83 11.151 10.268 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 83 8.653 9.361 -3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.523 11.463 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.984 10.308 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.582 10.779 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.265 12.138 -3.694 1.00 0.00 H new ATOM 1337 N LYS A 84 9.844 7.220 -3.419 1.00 0.00 N ATOM 1338 CA LYS A 84 10.238 5.894 -3.907 1.00 0.00 C ATOM 1339 C LYS A 84 9.261 4.790 -3.467 1.00 0.00 C ATOM 1340 O LYS A 84 9.689 3.643 -3.291 1.00 0.00 O ATOM 1341 CB LYS A 84 11.662 5.608 -3.356 1.00 0.00 C ATOM 1342 CG LYS A 84 11.777 5.792 -1.825 1.00 0.00 C ATOM 1343 CD LYS A 84 12.972 6.646 -1.398 1.00 0.00 C ATOM 1344 CE LYS A 84 12.693 8.100 -1.793 1.00 0.00 C ATOM 1345 NZ LYS A 84 13.548 9.041 -1.044 1.00 0.00 N ATOM 0 H LYS A 84 9.117 7.183 -2.705 1.00 0.00 H new ATOM 0 HA LYS A 84 10.223 5.891 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.945 4.588 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.374 6.270 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.861 6.252 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.855 4.812 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.128 6.569 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.883 6.291 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.863 8.226 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.645 8.333 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.456 9.993 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.252 9.061 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.539 8.733 -1.104 1.00 0.00 H new ATOM 1359 N PHE A 85 7.952 5.074 -3.411 1.00 0.00 N ATOM 1360 CA PHE A 85 6.923 4.082 -3.059 1.00 0.00 C ATOM 1361 C PHE A 85 5.510 4.588 -3.316 1.00 0.00 C ATOM 1362 O PHE A 85 4.576 4.334 -2.554 1.00 0.00 O ATOM 1363 CB PHE A 85 7.104 3.601 -1.608 1.00 0.00 C ATOM 1364 CG PHE A 85 7.198 4.724 -0.578 1.00 0.00 C ATOM 1365 CD1 PHE A 85 6.046 5.239 0.045 1.00 0.00 C ATOM 1366 CD2 PHE A 85 8.451 5.257 -0.228 1.00 0.00 C ATOM 1367 CE1 PHE A 85 6.146 6.288 0.977 1.00 0.00 C ATOM 1368 CE2 PHE A 85 8.563 6.249 0.759 1.00 0.00 C ATOM 1369 CZ PHE A 85 7.404 6.795 1.337 1.00 0.00 C ATOM 0 H PHE A 85 7.575 6.001 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 85 7.060 3.226 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.267 2.953 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.008 2.994 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.077 4.826 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.340 4.898 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.252 6.704 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.538 6.592 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.481 7.599 2.053 1.00 0.00 H new ATOM 1379 N ILE A 86 5.353 5.306 -4.417 1.00 0.00 N ATOM 1380 CA ILE A 86 4.110 5.962 -4.779 1.00 0.00 C ATOM 1381 C ILE A 86 3.175 4.932 -5.437 1.00 0.00 C ATOM 1382 O ILE A 86 3.567 3.780 -5.647 1.00 0.00 O ATOM 1383 CB ILE A 86 4.398 7.177 -5.684 1.00 0.00 C ATOM 1384 CG1 ILE A 86 5.813 7.788 -5.578 1.00 0.00 C ATOM 1385 CG2 ILE A 86 3.400 8.287 -5.340 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.311 8.221 -4.185 1.00 0.00 C ATOM 0 H ILE A 86 6.101 5.451 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 86 3.606 6.348 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 86 4.308 6.793 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.521 7.061 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.851 8.659 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.589 9.155 -5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.385 7.929 -5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.515 8.568 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.318 8.630 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.643 8.981 -3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.325 7.358 -3.519 1.00 0.00 H new ATOM 1398 N GLY A 87 2.004 5.354 -5.922 1.00 0.00 N ATOM 1399 CA GLY A 87 1.506 4.703 -7.119 1.00 0.00 C ATOM 1400 C GLY A 87 0.299 5.351 -7.712 1.00 0.00 C ATOM 1401 O GLY A 87 0.009 6.511 -7.362 1.00 0.00 O ATOM 0 H GLY A 87 1.421 6.094 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.299 4.686 -7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.268 3.666 -6.883 1.00 0.00 H new