USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 682 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 8 SER OG : rot 180:sc= -0.0935 USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 138:sc= -1.46 (180deg=-5.02!) USER MOD Single : A 11 THR OG1 : rot 46:sc= 1.49 USER MOD Single : A 21 SER OG : rot -77:sc= 0.176 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.84 K(o=-2.8,f=-5.7!) USER MOD Single : A 33 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.4) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.886 K(o=0.89,f=-0.57) USER MOD Single : A 106 ASN : amide:sc= -2.71 K(o=-2.7,f=-0.82) USER MOD Single : A 109 SER OG : rot 105:sc= 1.18 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N LEU A 3 8.083 9.077 2.631 1.00 1.00 N ATOM 33 CA LEU A 3 6.691 8.721 2.940 1.00 1.00 C ATOM 34 C LEU A 3 6.458 7.198 2.815 1.00 1.00 C ATOM 35 O LEU A 3 7.094 6.566 1.973 1.00 1.00 O ATOM 36 CB LEU A 3 5.717 9.514 2.015 1.00 1.00 C ATOM 37 CG LEU A 3 5.494 10.991 2.499 1.00 1.00 C ATOM 38 CD1 LEU A 3 4.608 11.065 3.767 1.00 1.00 C ATOM 39 CD2 LEU A 3 6.846 11.708 2.758 1.00 1.00 C ATOM 0 HA LEU A 3 6.490 8.996 3.975 1.00 1.00 H new ATOM 0 HB2 LEU A 3 6.113 9.524 1.000 1.00 1.00 H new ATOM 0 HB3 LEU A 3 4.757 8.999 1.977 1.00 1.00 H new ATOM 0 HG LEU A 3 4.969 11.504 1.693 1.00 1.00 H new ATOM 0 HD11 LEU A 3 4.483 12.107 4.063 1.00 1.00 H new ATOM 0 HD12 LEU A 3 3.632 10.628 3.555 1.00 1.00 H new ATOM 0 HD13 LEU A 3 5.085 10.513 4.577 1.00 1.00 H new ATOM 0 HD21 LEU A 3 6.659 12.729 3.092 1.00 1.00 H new ATOM 0 HD22 LEU A 3 7.401 11.171 3.527 1.00 1.00 H new ATOM 0 HD23 LEU A 3 7.429 11.729 1.837 1.00 1.00 H new ATOM 51 N PRO A 4 5.593 6.624 3.607 1.00 1.00 N ATOM 52 CA PRO A 4 5.321 5.140 3.545 1.00 1.00 C ATOM 53 C PRO A 4 4.510 4.762 2.297 1.00 1.00 C ATOM 54 O PRO A 4 4.590 3.636 1.809 1.00 1.00 O ATOM 55 CB PRO A 4 4.526 4.868 4.859 1.00 1.00 C ATOM 56 CG PRO A 4 3.782 6.156 5.109 1.00 1.00 C ATOM 57 CD PRO A 4 4.739 7.277 4.649 1.00 1.00 C ATOM 0 HA PRO A 4 6.230 4.544 3.470 1.00 1.00 H new ATOM 0 HB2 PRO A 4 3.842 4.027 4.745 1.00 1.00 H new ATOM 0 HB3 PRO A 4 5.193 4.625 5.686 1.00 1.00 H new ATOM 0 HG2 PRO A 4 2.846 6.184 4.551 1.00 1.00 H new ATOM 0 HG3 PRO A 4 3.527 6.265 6.163 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.191 8.126 4.240 1.00 1.00 H new ATOM 0 HD3 PRO A 4 5.339 7.654 5.477 1.00 1.00 H new ATOM 65 N ILE A 5 3.716 5.708 1.806 1.00 1.00 N ATOM 66 CA ILE A 5 2.857 5.473 0.611 1.00 1.00 C ATOM 67 C ILE A 5 3.126 6.549 -0.458 1.00 1.00 C ATOM 68 O ILE A 5 3.113 7.745 -0.168 1.00 1.00 O ATOM 69 CB ILE A 5 1.358 5.497 1.034 1.00 1.00 C ATOM 70 CG1 ILE A 5 1.122 4.426 2.148 1.00 1.00 C ATOM 71 CG2 ILE A 5 0.441 5.178 -0.193 1.00 1.00 C ATOM 72 CD1 ILE A 5 -0.302 4.533 2.718 1.00 1.00 C ATOM 0 H ILE A 5 3.637 6.645 2.202 1.00 1.00 H new ATOM 0 HA ILE A 5 3.094 4.497 0.186 1.00 1.00 H new ATOM 0 HB ILE A 5 1.111 6.490 1.411 1.00 1.00 H new ATOM 0 HG12 ILE A 5 1.280 3.428 1.738 1.00 1.00 H new ATOM 0 HG13 ILE A 5 1.850 4.561 2.948 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -0.603 5.198 0.118 1.00 1.00 H new ATOM 0 HG22 ILE A 5 0.602 5.924 -0.971 1.00 1.00 H new ATOM 0 HG23 ILE A 5 0.684 4.189 -0.582 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -0.442 3.778 3.491 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -0.448 5.524 3.148 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -1.027 4.373 1.919 1.00 1.00 H new ATOM 84 N THR A 6 3.340 6.104 -1.692 1.00 1.00 N ATOM 85 CA THR A 6 3.589 7.042 -2.822 1.00 1.00 C ATOM 86 C THR A 6 2.719 6.654 -4.026 1.00 1.00 C ATOM 87 O THR A 6 2.795 5.534 -4.530 1.00 1.00 O ATOM 88 CB THR A 6 5.090 7.022 -3.216 1.00 1.00 C ATOM 89 OG1 THR A 6 5.872 7.237 -2.051 1.00 1.00 O ATOM 90 CG2 THR A 6 5.415 8.141 -4.227 1.00 1.00 C ATOM 0 H THR A 6 3.350 5.117 -1.950 1.00 1.00 H new ATOM 0 HA THR A 6 3.326 8.052 -2.507 1.00 1.00 H new ATOM 0 HB THR A 6 5.313 6.057 -3.671 1.00 1.00 H new ATOM 0 HG1 THR A 6 6.823 7.225 -2.288 1.00 1.00 H new ATOM 0 HG21 THR A 6 6.473 8.102 -4.485 1.00 1.00 H new ATOM 0 HG22 THR A 6 4.817 8.003 -5.128 1.00 1.00 H new ATOM 0 HG23 THR A 6 5.185 9.110 -3.784 1.00 1.00 H new ATOM 98 N LEU A 7 1.904 7.599 -4.482 1.00 1.00 N ATOM 99 CA LEU A 7 1.001 7.374 -5.631 1.00 1.00 C ATOM 100 C LEU A 7 1.552 8.066 -6.881 1.00 1.00 C ATOM 101 O LEU A 7 2.142 9.143 -6.800 1.00 1.00 O ATOM 102 CB LEU A 7 -0.396 7.933 -5.285 1.00 1.00 C ATOM 103 CG LEU A 7 -0.931 7.330 -3.945 1.00 1.00 C ATOM 104 CD1 LEU A 7 -2.320 7.919 -3.631 1.00 1.00 C ATOM 105 CD2 LEU A 7 -1.037 5.782 -4.020 1.00 1.00 C ATOM 0 H LEU A 7 1.842 8.534 -4.080 1.00 1.00 H new ATOM 0 HA LEU A 7 0.928 6.306 -5.835 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.346 9.019 -5.204 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -1.092 7.705 -6.093 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.225 7.587 -3.156 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.691 7.498 -2.697 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.243 9.002 -3.535 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -3.010 7.675 -4.439 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -1.412 5.397 -3.072 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -1.721 5.503 -4.821 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -0.052 5.359 -4.220 1.00 1.00 H new ATOM 117 N SER A 8 1.357 7.432 -8.032 1.00 1.00 N ATOM 118 CA SER A 8 1.840 7.974 -9.312 1.00 1.00 C ATOM 119 C SER A 8 0.888 9.055 -9.834 1.00 1.00 C ATOM 120 O SER A 8 0.546 9.081 -11.016 1.00 1.00 O ATOM 121 CB SER A 8 1.979 6.826 -10.327 1.00 1.00 C ATOM 122 OG SER A 8 2.992 5.936 -9.877 1.00 1.00 O ATOM 0 H SER A 8 0.868 6.541 -8.112 1.00 1.00 H new ATOM 0 HA SER A 8 2.815 8.438 -9.164 1.00 1.00 H new ATOM 0 HB2 SER A 8 1.031 6.297 -10.431 1.00 1.00 H new ATOM 0 HB3 SER A 8 2.233 7.221 -11.311 1.00 1.00 H new ATOM 0 HG SER A 8 3.088 5.199 -10.516 1.00 1.00 H new ATOM 128 N LYS A 9 0.463 9.940 -8.938 1.00 1.00 N ATOM 129 CA LYS A 9 -0.442 11.044 -9.277 1.00 1.00 C ATOM 130 C LYS A 9 0.319 12.159 -10.020 1.00 1.00 C ATOM 131 O LYS A 9 0.248 13.329 -9.646 1.00 1.00 O ATOM 132 CB LYS A 9 -1.101 11.600 -7.984 1.00 1.00 C ATOM 133 CG LYS A 9 -0.017 12.011 -6.915 1.00 1.00 C ATOM 134 CD LYS A 9 -0.580 13.055 -5.911 1.00 1.00 C ATOM 135 CE LYS A 9 -1.846 12.520 -5.202 1.00 1.00 C ATOM 136 NZ LYS A 9 -1.581 11.159 -4.671 1.00 1.00 N ATOM 0 H LYS A 9 0.734 9.916 -7.955 1.00 1.00 H new ATOM 0 HA LYS A 9 -1.224 10.670 -9.938 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -1.717 12.465 -8.231 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -1.765 10.847 -7.560 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.316 11.126 -6.373 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.856 12.423 -7.420 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.181 13.298 -5.169 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -0.818 13.979 -6.438 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -2.131 13.189 -4.390 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -2.682 12.492 -5.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.992 11.071 -3.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -2.011 10.451 -5.300 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.554 11.000 -4.621 1.00 1.00 H new ATOM 150 N GLU A 10 1.035 11.779 -11.074 1.00 1.00 N ATOM 151 CA GLU A 10 1.816 12.760 -11.859 1.00 1.00 C ATOM 152 C GLU A 10 0.891 13.839 -12.435 1.00 1.00 C ATOM 153 O GLU A 10 1.188 15.031 -12.377 1.00 1.00 O ATOM 154 CB GLU A 10 2.587 12.010 -12.998 1.00 1.00 C ATOM 155 CG GLU A 10 3.901 11.379 -12.472 1.00 1.00 C ATOM 156 CD GLU A 10 3.619 10.395 -11.334 1.00 1.00 C ATOM 157 OE1 GLU A 10 3.292 10.852 -10.252 1.00 1.00 O ATOM 158 OE2 GLU A 10 3.737 9.202 -11.560 1.00 1.00 O ATOM 0 H GLU A 10 1.098 10.818 -11.409 1.00 1.00 H new ATOM 0 HA GLU A 10 2.539 13.256 -11.212 1.00 1.00 H new ATOM 0 HB2 GLU A 10 1.951 11.231 -13.418 1.00 1.00 H new ATOM 0 HB3 GLU A 10 2.814 12.706 -13.805 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.412 10.864 -13.285 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.571 12.164 -12.121 1.00 1.00 H new ATOM 165 N THR A 11 -0.232 13.397 -12.991 1.00 1.00 N ATOM 166 CA THR A 11 -1.228 14.309 -13.593 1.00 1.00 C ATOM 167 C THR A 11 -2.588 14.180 -12.863 1.00 1.00 C ATOM 168 O THR A 11 -3.436 13.417 -13.325 1.00 1.00 O ATOM 169 CB THR A 11 -1.389 13.944 -15.087 1.00 1.00 C ATOM 170 OG1 THR A 11 -1.872 12.615 -15.207 1.00 1.00 O ATOM 171 CG2 THR A 11 -0.027 14.049 -15.804 1.00 1.00 C ATOM 0 H THR A 11 -0.486 12.410 -13.043 1.00 1.00 H new ATOM 0 HA THR A 11 -0.888 15.340 -13.496 1.00 1.00 H new ATOM 0 HB THR A 11 -2.097 14.636 -15.543 1.00 1.00 H new ATOM 0 HG1 THR A 11 -2.617 12.480 -14.585 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.149 13.790 -16.856 1.00 1.00 H new ATOM 0 HG22 THR A 11 0.350 15.069 -15.722 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.682 13.362 -15.341 1.00 1.00 H new ATOM 179 N PRO A 12 -2.805 14.890 -11.788 1.00 1.00 N ATOM 180 CA PRO A 12 -4.116 14.807 -11.036 1.00 1.00 C ATOM 181 C PRO A 12 -5.344 14.878 -11.966 1.00 1.00 C ATOM 182 O PRO A 12 -5.563 15.892 -12.630 1.00 1.00 O ATOM 183 CB PRO A 12 -4.059 16.028 -10.076 1.00 1.00 C ATOM 184 CG PRO A 12 -2.589 16.177 -9.781 1.00 1.00 C ATOM 185 CD PRO A 12 -1.879 15.852 -11.118 1.00 1.00 C ATOM 0 HA PRO A 12 -4.230 13.855 -10.518 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -4.467 16.924 -10.543 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -4.635 15.851 -9.167 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -2.354 17.187 -9.444 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -2.274 15.496 -8.991 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -1.729 16.748 -11.720 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -0.896 15.412 -10.952 1.00 1.00 H new ATOM 193 N PHE A 13 -6.127 13.805 -12.005 1.00 1.00 N ATOM 194 CA PHE A 13 -7.320 13.760 -12.855 1.00 1.00 C ATOM 195 C PHE A 13 -8.206 12.561 -12.477 1.00 1.00 C ATOM 196 O PHE A 13 -7.792 11.409 -12.609 1.00 1.00 O ATOM 197 CB PHE A 13 -6.896 13.656 -14.340 1.00 1.00 C ATOM 198 CG PHE A 13 -8.128 13.811 -15.242 1.00 1.00 C ATOM 199 CD1 PHE A 13 -8.559 15.097 -15.625 1.00 1.00 C ATOM 200 CD2 PHE A 13 -8.851 12.681 -15.669 1.00 1.00 C ATOM 201 CE1 PHE A 13 -9.693 15.246 -16.432 1.00 1.00 C ATOM 202 CE2 PHE A 13 -9.987 12.838 -16.472 1.00 1.00 C ATOM 203 CZ PHE A 13 -10.407 14.118 -16.852 1.00 1.00 C ATOM 0 H PHE A 13 -5.962 12.957 -11.463 1.00 1.00 H new ATOM 0 HA PHE A 13 -7.894 14.675 -12.705 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.163 14.428 -14.574 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -6.417 12.695 -14.525 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.014 15.969 -15.295 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.529 11.692 -15.377 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -10.017 16.232 -16.731 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -10.540 11.970 -16.799 1.00 1.00 H new ATOM 0 HZ PHE A 13 -11.284 14.235 -17.471 1.00 1.00 H new ATOM 213 N GLU A 14 -9.420 12.846 -12.022 1.00 1.00 N ATOM 214 CA GLU A 14 -10.356 11.775 -11.638 1.00 1.00 C ATOM 215 C GLU A 14 -10.568 10.801 -12.814 1.00 1.00 C ATOM 216 O GLU A 14 -10.555 11.200 -13.979 1.00 1.00 O ATOM 217 CB GLU A 14 -11.700 12.388 -11.190 1.00 1.00 C ATOM 218 CG GLU A 14 -12.654 11.298 -10.633 1.00 1.00 C ATOM 219 CD GLU A 14 -13.971 11.915 -10.151 1.00 1.00 C ATOM 220 OE1 GLU A 14 -14.012 13.120 -9.946 1.00 1.00 O ATOM 221 OE2 GLU A 14 -14.921 11.168 -9.986 1.00 1.00 O ATOM 0 H GLU A 14 -9.784 13.792 -11.908 1.00 1.00 H new ATOM 0 HA GLU A 14 -9.932 11.215 -10.804 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -11.521 13.144 -10.426 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -12.172 12.892 -12.033 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -12.857 10.557 -11.407 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -12.171 10.774 -9.809 1.00 1.00 H new ATOM 228 N GLY A 15 -10.763 9.526 -12.488 1.00 1.00 N ATOM 229 CA GLY A 15 -10.969 8.484 -13.512 1.00 1.00 C ATOM 230 C GLY A 15 -9.637 7.897 -13.976 1.00 1.00 C ATOM 231 O GLY A 15 -9.582 6.751 -14.422 1.00 1.00 O ATOM 0 H GLY A 15 -10.784 9.182 -11.528 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -11.598 7.691 -13.107 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -11.500 8.908 -14.365 1.00 1.00 H new ATOM 235 N GLU A 16 -8.571 8.683 -13.864 1.00 1.00 N ATOM 236 CA GLU A 16 -7.235 8.227 -14.283 1.00 1.00 C ATOM 237 C GLU A 16 -6.758 7.109 -13.366 1.00 1.00 C ATOM 238 O GLU A 16 -7.067 7.094 -12.175 1.00 1.00 O ATOM 239 CB GLU A 16 -6.229 9.406 -14.258 1.00 1.00 C ATOM 240 CG GLU A 16 -4.863 8.989 -14.860 1.00 1.00 C ATOM 241 CD GLU A 16 -3.889 10.173 -14.885 1.00 1.00 C ATOM 242 OE1 GLU A 16 -4.127 11.140 -14.176 1.00 1.00 O ATOM 243 OE2 GLU A 16 -2.910 10.087 -15.606 1.00 1.00 O ATOM 0 H GLU A 16 -8.597 9.632 -13.491 1.00 1.00 H new ATOM 0 HA GLU A 16 -7.297 7.847 -15.303 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -6.636 10.247 -14.820 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -6.089 9.746 -13.232 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -4.437 8.175 -14.274 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -5.008 8.611 -15.872 1.00 1.00 H new ATOM 250 N GLU A 17 -5.997 6.176 -13.929 1.00 1.00 N ATOM 251 CA GLU A 17 -5.476 5.053 -13.151 1.00 1.00 C ATOM 252 C GLU A 17 -4.267 5.514 -12.325 1.00 1.00 C ATOM 253 O GLU A 17 -3.358 6.175 -12.831 1.00 1.00 O ATOM 254 CB GLU A 17 -5.081 3.897 -14.098 1.00 1.00 C ATOM 255 CG GLU A 17 -4.739 2.621 -13.292 1.00 1.00 C ATOM 256 CD GLU A 17 -4.357 1.477 -14.235 1.00 1.00 C ATOM 257 OE1 GLU A 17 -3.485 1.687 -15.060 1.00 1.00 O ATOM 258 OE2 GLU A 17 -4.949 0.413 -14.123 1.00 1.00 O ATOM 0 H GLU A 17 -5.728 6.173 -14.913 1.00 1.00 H new ATOM 0 HA GLU A 17 -6.247 4.693 -12.470 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -5.900 3.689 -14.787 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -4.223 4.192 -14.702 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -3.916 2.826 -12.607 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.594 2.328 -12.683 1.00 1.00 H new ATOM 265 N ILE A 18 -4.268 5.145 -11.048 1.00 1.00 N ATOM 266 CA ILE A 18 -3.166 5.510 -10.122 1.00 1.00 C ATOM 267 C ILE A 18 -2.481 4.248 -9.594 1.00 1.00 C ATOM 268 O ILE A 18 -3.123 3.220 -9.370 1.00 1.00 O ATOM 269 CB ILE A 18 -3.721 6.368 -8.947 1.00 1.00 C ATOM 270 CG1 ILE A 18 -4.881 5.616 -8.222 1.00 1.00 C ATOM 271 CG2 ILE A 18 -4.237 7.728 -9.489 1.00 1.00 C ATOM 272 CD1 ILE A 18 -5.325 6.382 -6.964 1.00 1.00 C ATOM 0 H ILE A 18 -5.011 4.595 -10.618 1.00 1.00 H new ATOM 0 HA ILE A 18 -2.427 6.100 -10.663 1.00 1.00 H new ATOM 0 HB ILE A 18 -2.917 6.543 -8.232 1.00 1.00 H new ATOM 0 HG12 ILE A 18 -5.726 5.501 -8.901 1.00 1.00 H new ATOM 0 HG13 ILE A 18 -4.554 4.613 -7.947 1.00 1.00 H new ATOM 0 HG21 ILE A 18 -4.624 8.325 -8.664 1.00 1.00 H new ATOM 0 HG22 ILE A 18 -3.418 8.262 -9.970 1.00 1.00 H new ATOM 0 HG23 ILE A 18 -5.032 7.553 -10.214 1.00 1.00 H new ATOM 0 HD11 ILE A 18 -6.134 5.840 -6.475 1.00 1.00 H new ATOM 0 HD12 ILE A 18 -4.483 6.474 -6.278 1.00 1.00 H new ATOM 0 HD13 ILE A 18 -5.673 7.376 -7.247 1.00 1.00 H new ATOM 284 N THR A 19 -1.171 4.341 -9.389 1.00 1.00 N ATOM 285 CA THR A 19 -0.390 3.194 -8.886 1.00 1.00 C ATOM 286 C THR A 19 -0.336 3.243 -7.362 1.00 1.00 C ATOM 287 O THR A 19 0.236 4.167 -6.784 1.00 1.00 O ATOM 288 CB THR A 19 1.045 3.235 -9.472 1.00 1.00 C ATOM 289 OG1 THR A 19 0.964 3.331 -10.887 1.00 1.00 O ATOM 290 CG2 THR A 19 1.828 1.957 -9.111 1.00 1.00 C ATOM 0 H THR A 19 -0.624 5.185 -9.558 1.00 1.00 H new ATOM 0 HA THR A 19 -0.869 2.266 -9.197 1.00 1.00 H new ATOM 0 HB THR A 19 1.564 4.097 -9.052 1.00 1.00 H new ATOM 0 HG1 THR A 19 1.868 3.359 -11.265 1.00 1.00 H new ATOM 0 HG21 THR A 19 2.831 2.013 -9.535 1.00 1.00 H new ATOM 0 HG22 THR A 19 1.897 1.866 -8.027 1.00 1.00 H new ATOM 0 HG23 THR A 19 1.311 1.087 -9.516 1.00 1.00 H new ATOM 298 N VAL A 20 -0.923 2.240 -6.717 1.00 1.00 N ATOM 299 CA VAL A 20 -0.938 2.177 -5.242 1.00 1.00 C ATOM 300 C VAL A 20 0.164 1.238 -4.755 1.00 1.00 C ATOM 301 O VAL A 20 0.103 0.029 -4.979 1.00 1.00 O ATOM 302 CB VAL A 20 -2.330 1.700 -4.738 1.00 1.00 C ATOM 303 CG1 VAL A 20 -2.421 1.830 -3.190 1.00 1.00 C ATOM 304 CG2 VAL A 20 -3.436 2.572 -5.381 1.00 1.00 C ATOM 0 H VAL A 20 -1.393 1.461 -7.179 1.00 1.00 H new ATOM 0 HA VAL A 20 -0.753 3.173 -4.838 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.464 0.655 -5.018 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -3.401 1.492 -2.854 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.647 1.217 -2.727 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -2.278 2.872 -2.903 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -4.412 2.239 -5.029 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.286 3.615 -5.102 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -3.390 2.477 -6.466 1.00 1.00 H new ATOM 314 N SER A 21 1.163 1.801 -4.086 1.00 1.00 N ATOM 315 CA SER A 21 2.301 1.028 -3.557 1.00 1.00 C ATOM 316 C SER A 21 2.433 1.248 -2.053 1.00 1.00 C ATOM 317 O SER A 21 2.304 2.366 -1.551 1.00 1.00 O ATOM 318 CB SER A 21 3.592 1.486 -4.248 1.00 1.00 C ATOM 319 OG SER A 21 3.913 2.800 -3.819 1.00 1.00 O ATOM 0 H SER A 21 1.216 2.801 -3.891 1.00 1.00 H new ATOM 0 HA SER A 21 2.130 -0.031 -3.750 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.408 0.804 -4.009 1.00 1.00 H new ATOM 0 HB3 SER A 21 3.466 1.465 -5.330 1.00 1.00 H new ATOM 0 HG SER A 21 3.331 3.444 -4.274 1.00 1.00 H new ATOM 325 N ALA A 22 2.706 0.160 -1.340 1.00 1.00 N ATOM 326 CA ALA A 22 2.864 0.205 0.132 1.00 1.00 C ATOM 327 C ALA A 22 4.274 -0.252 0.523 1.00 1.00 C ATOM 328 O ALA A 22 4.708 -1.347 0.167 1.00 1.00 O ATOM 329 CB ALA A 22 1.814 -0.716 0.775 1.00 1.00 C ATOM 0 H ALA A 22 2.825 -0.768 -1.746 1.00 1.00 H new ATOM 0 HA ALA A 22 2.721 1.226 0.485 1.00 1.00 H new ATOM 0 HB1 ALA A 22 1.922 -0.690 1.859 1.00 1.00 H new ATOM 0 HB2 ALA A 22 0.815 -0.376 0.502 1.00 1.00 H new ATOM 0 HB3 ALA A 22 1.959 -1.736 0.420 1.00 1.00 H new ATOM 335 N ARG A 23 4.976 0.599 1.265 1.00 1.00 N ATOM 336 CA ARG A 23 6.341 0.282 1.709 1.00 1.00 C ATOM 337 C ARG A 23 6.287 -0.527 3.007 1.00 1.00 C ATOM 338 O ARG A 23 5.886 -0.018 4.054 1.00 1.00 O ATOM 339 CB ARG A 23 7.119 1.597 1.933 1.00 1.00 C ATOM 340 CG ARG A 23 7.353 2.314 0.580 1.00 1.00 C ATOM 341 CD ARG A 23 8.091 3.643 0.802 1.00 1.00 C ATOM 342 NE ARG A 23 8.332 4.315 -0.483 1.00 1.00 N ATOM 343 CZ ARG A 23 9.274 3.894 -1.341 1.00 1.00 C ATOM 344 NH1 ARG A 23 10.035 2.874 -1.039 1.00 1.00 N ATOM 345 NH2 ARG A 23 9.438 4.506 -2.481 1.00 1.00 N ATOM 0 H ARG A 23 4.631 1.508 1.573 1.00 1.00 H new ATOM 0 HA ARG A 23 6.848 -0.311 0.948 1.00 1.00 H new ATOM 0 HB2 ARG A 23 6.562 2.248 2.607 1.00 1.00 H new ATOM 0 HB3 ARG A 23 8.075 1.386 2.412 1.00 1.00 H new ATOM 0 HG2 ARG A 23 7.935 1.673 -0.083 1.00 1.00 H new ATOM 0 HG3 ARG A 23 6.398 2.498 0.088 1.00 1.00 H new ATOM 0 HD2 ARG A 23 7.502 4.289 1.453 1.00 1.00 H new ATOM 0 HD3 ARG A 23 9.039 3.460 1.308 1.00 1.00 H new ATOM 0 HE ARG A 23 7.766 5.126 -0.730 1.00 1.00 H new ATOM 0 HH11 ARG A 23 9.914 2.394 -0.147 1.00 1.00 H new ATOM 0 HH12 ARG A 23 10.749 2.559 -1.695 1.00 1.00 H new ATOM 0 HH21 ARG A 23 8.850 5.305 -2.720 1.00 1.00 H new ATOM 0 HH22 ARG A 23 10.154 4.186 -3.133 1.00 1.00 H new ATOM 359 N VAL A 24 6.710 -1.785 2.928 1.00 1.00 N ATOM 360 CA VAL A 24 6.718 -2.679 4.096 1.00 1.00 C ATOM 361 C VAL A 24 8.083 -2.612 4.785 1.00 1.00 C ATOM 362 O VAL A 24 9.103 -2.963 4.191 1.00 1.00 O ATOM 363 CB VAL A 24 6.414 -4.138 3.643 1.00 1.00 C ATOM 364 CG1 VAL A 24 6.215 -5.055 4.878 1.00 1.00 C ATOM 365 CG2 VAL A 24 5.125 -4.155 2.782 1.00 1.00 C ATOM 0 H VAL A 24 7.053 -2.215 2.069 1.00 1.00 H new ATOM 0 HA VAL A 24 5.950 -2.362 4.801 1.00 1.00 H new ATOM 0 HB VAL A 24 7.256 -4.506 3.057 1.00 1.00 H new ATOM 0 HG11 VAL A 24 6.003 -6.071 4.546 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.122 -5.052 5.483 1.00 1.00 H new ATOM 0 HG13 VAL A 24 5.380 -4.687 5.474 1.00 1.00 H new ATOM 0 HG21 VAL A 24 4.913 -5.176 2.465 1.00 1.00 H new ATOM 0 HG22 VAL A 24 4.289 -3.776 3.371 1.00 1.00 H new ATOM 0 HG23 VAL A 24 5.266 -3.525 1.904 1.00 1.00 H new ATOM 375 N THR A 25 8.093 -2.165 6.037 1.00 1.00 N ATOM 376 CA THR A 25 9.348 -2.058 6.803 1.00 1.00 C ATOM 377 C THR A 25 9.614 -3.366 7.549 1.00 1.00 C ATOM 378 O THR A 25 8.773 -3.828 8.321 1.00 1.00 O ATOM 379 CB THR A 25 9.255 -0.890 7.816 1.00 1.00 C ATOM 380 OG1 THR A 25 9.027 0.318 7.101 1.00 1.00 O ATOM 381 CG2 THR A 25 10.566 -0.744 8.639 1.00 1.00 C ATOM 0 H THR A 25 7.259 -1.872 6.546 1.00 1.00 H new ATOM 0 HA THR A 25 10.168 -1.865 6.111 1.00 1.00 H new ATOM 0 HB THR A 25 8.438 -1.098 8.506 1.00 1.00 H new ATOM 0 HG1 THR A 25 8.965 1.065 7.732 1.00 1.00 H new ATOM 0 HG21 THR A 25 10.465 0.085 9.340 1.00 1.00 H new ATOM 0 HG22 THR A 25 10.754 -1.665 9.191 1.00 1.00 H new ATOM 0 HG23 THR A 25 11.400 -0.549 7.964 1.00 1.00 H new ATOM 389 N ASN A 26 10.792 -3.943 7.332 1.00 1.00 N ATOM 390 CA ASN A 26 11.189 -5.197 7.997 1.00 1.00 C ATOM 391 C ASN A 26 12.175 -4.891 9.127 1.00 1.00 C ATOM 392 O ASN A 26 13.317 -4.488 8.903 1.00 1.00 O ATOM 393 CB ASN A 26 11.835 -6.150 6.974 1.00 1.00 C ATOM 394 CG ASN A 26 10.809 -6.528 5.904 1.00 1.00 C ATOM 395 OD1 ASN A 26 10.031 -5.680 5.462 1.00 1.00 O ATOM 396 ND2 ASN A 26 10.758 -7.754 5.458 1.00 1.00 N ATOM 0 H ASN A 26 11.497 -3.566 6.699 1.00 1.00 H new ATOM 0 HA ASN A 26 10.305 -5.678 8.417 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.698 -5.672 6.511 1.00 1.00 H new ATOM 0 HB3 ASN A 26 12.198 -7.047 7.476 1.00 1.00 H new ATOM 0 HD21 ASN A 26 10.075 -8.009 4.745 1.00 1.00 H new ATOM 0 HD22 ASN A 26 11.401 -8.457 5.823 1.00 1.00 H new ATOM 444 N ALA A 30 15.842 -11.114 11.468 1.00 1.00 N ATOM 445 CA ALA A 30 16.099 -12.289 10.607 1.00 1.00 C ATOM 446 C ALA A 30 15.422 -12.120 9.245 1.00 1.00 C ATOM 447 O ALA A 30 14.375 -11.484 9.122 1.00 1.00 O ATOM 448 CB ALA A 30 15.559 -13.552 11.305 1.00 1.00 C ATOM 0 HA ALA A 30 17.173 -12.384 10.446 1.00 1.00 H new ATOM 0 HB1 ALA A 30 15.745 -14.423 10.676 1.00 1.00 H new ATOM 0 HB2 ALA A 30 16.063 -13.682 12.263 1.00 1.00 H new ATOM 0 HB3 ALA A 30 14.487 -13.446 11.470 1.00 1.00 H new ATOM 454 N GLU A 31 16.038 -12.704 8.222 1.00 1.00 N ATOM 455 CA GLU A 31 15.497 -12.623 6.861 1.00 1.00 C ATOM 456 C GLU A 31 14.076 -13.201 6.818 1.00 1.00 C ATOM 457 O GLU A 31 13.872 -14.389 7.065 1.00 1.00 O ATOM 458 CB GLU A 31 16.405 -13.409 5.894 1.00 1.00 C ATOM 459 CG GLU A 31 17.817 -12.784 5.865 1.00 1.00 C ATOM 460 CD GLU A 31 18.744 -13.553 4.914 1.00 1.00 C ATOM 461 OE1 GLU A 31 18.278 -14.466 4.247 1.00 1.00 O ATOM 462 OE2 GLU A 31 19.913 -13.209 4.869 1.00 1.00 O ATOM 0 H GLU A 31 16.905 -13.235 8.303 1.00 1.00 H new ATOM 0 HA GLU A 31 15.462 -11.577 6.558 1.00 1.00 H new ATOM 0 HB2 GLU A 31 16.467 -14.451 6.207 1.00 1.00 H new ATOM 0 HB3 GLU A 31 15.975 -13.402 4.892 1.00 1.00 H new ATOM 0 HG2 GLU A 31 17.750 -11.743 5.549 1.00 1.00 H new ATOM 0 HG3 GLU A 31 18.239 -12.786 6.870 1.00 1.00 H new ATOM 469 N ALA A 32 13.104 -12.352 6.499 1.00 1.00 N ATOM 470 CA ALA A 32 11.696 -12.774 6.423 1.00 1.00 C ATOM 471 C ALA A 32 11.359 -13.203 4.998 1.00 1.00 C ATOM 472 O ALA A 32 11.952 -12.718 4.035 1.00 1.00 O ATOM 473 CB ALA A 32 10.777 -11.610 6.850 1.00 1.00 C ATOM 0 H ALA A 32 13.258 -11.366 6.288 1.00 1.00 H new ATOM 0 HA ALA A 32 11.540 -13.618 7.095 1.00 1.00 H new ATOM 0 HB1 ALA A 32 9.736 -11.928 6.792 1.00 1.00 H new ATOM 0 HB2 ALA A 32 11.011 -11.319 7.874 1.00 1.00 H new ATOM 0 HB3 ALA A 32 10.934 -10.760 6.186 1.00 1.00 H new ATOM 479 N HIS A 33 10.389 -14.103 4.874 1.00 1.00 N ATOM 480 CA HIS A 33 9.954 -14.607 3.559 1.00 1.00 C ATOM 481 C HIS A 33 8.447 -14.807 3.550 1.00 1.00 C ATOM 482 O HIS A 33 7.779 -14.732 4.580 1.00 1.00 O ATOM 483 CB HIS A 33 10.662 -15.941 3.250 1.00 1.00 C ATOM 484 CG HIS A 33 12.154 -15.749 3.316 1.00 1.00 C ATOM 485 ND1 HIS A 33 12.896 -16.133 4.420 1.00 1.00 N ATOM 486 CD2 HIS A 33 13.054 -15.210 2.427 1.00 1.00 C ATOM 487 CE1 HIS A 33 14.182 -15.823 4.173 1.00 1.00 C ATOM 488 NE2 HIS A 33 14.334 -15.260 2.972 1.00 1.00 N ATOM 0 H HIS A 33 9.884 -14.504 5.664 1.00 1.00 H new ATOM 0 HA HIS A 33 10.218 -13.877 2.794 1.00 1.00 H new ATOM 0 HB2 HIS A 33 10.351 -16.703 3.965 1.00 1.00 H new ATOM 0 HB3 HIS A 33 10.374 -16.296 2.260 1.00 1.00 H new ATOM 0 HD2 HIS A 33 12.806 -14.809 1.455 1.00 1.00 H new ATOM 0 HE1 HIS A 33 14.993 -16.007 4.862 1.00 1.00 H new ATOM 0 HE2 HIS A 33 15.202 -14.936 2.545 1.00 1.00 H new ATOM 497 N ASN A 34 7.915 -15.056 2.358 1.00 1.00 N ATOM 498 CA ASN A 34 6.467 -15.264 2.199 1.00 1.00 C ATOM 499 C ASN A 34 5.675 -14.141 2.897 1.00 1.00 C ATOM 500 O ASN A 34 4.912 -14.383 3.833 1.00 1.00 O ATOM 501 CB ASN A 34 6.068 -16.635 2.777 1.00 1.00 C ATOM 502 CG ASN A 34 6.809 -17.762 2.059 1.00 1.00 C ATOM 503 OD1 ASN A 34 7.186 -17.620 0.896 1.00 1.00 O ATOM 504 ND2 ASN A 34 7.038 -18.881 2.691 1.00 1.00 N ATOM 0 H ASN A 34 8.451 -15.120 1.493 1.00 1.00 H new ATOM 0 HA ASN A 34 6.227 -15.241 1.136 1.00 1.00 H new ATOM 0 HB2 ASN A 34 6.295 -16.666 3.843 1.00 1.00 H new ATOM 0 HB3 ASN A 34 4.992 -16.778 2.676 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.531 -19.641 2.221 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.724 -18.996 3.655 1.00 1.00 H new ATOM 511 N VAL A 35 5.873 -12.915 2.424 1.00 1.00 N ATOM 512 CA VAL A 35 5.183 -11.732 2.998 1.00 1.00 C ATOM 513 C VAL A 35 4.208 -11.151 1.953 1.00 1.00 C ATOM 514 O VAL A 35 4.564 -10.182 1.283 1.00 1.00 O ATOM 515 CB VAL A 35 6.241 -10.663 3.414 1.00 1.00 C ATOM 516 CG1 VAL A 35 5.562 -9.486 4.171 1.00 1.00 C ATOM 517 CG2 VAL A 35 7.294 -11.316 4.346 1.00 1.00 C ATOM 0 H VAL A 35 6.500 -12.700 1.649 1.00 1.00 H new ATOM 0 HA VAL A 35 4.617 -12.026 3.882 1.00 1.00 H new ATOM 0 HB VAL A 35 6.719 -10.279 2.513 1.00 1.00 H new ATOM 0 HG11 VAL A 35 6.316 -8.751 4.453 1.00 1.00 H new ATOM 0 HG12 VAL A 35 4.821 -9.016 3.524 1.00 1.00 H new ATOM 0 HG13 VAL A 35 5.072 -9.865 5.068 1.00 1.00 H new ATOM 0 HG21 VAL A 35 8.034 -10.571 4.638 1.00 1.00 H new ATOM 0 HG22 VAL A 35 6.800 -11.705 5.237 1.00 1.00 H new ATOM 0 HG23 VAL A 35 7.789 -12.132 3.820 1.00 1.00 H new ATOM 527 N PRO A 36 3.024 -11.686 1.823 1.00 1.00 N ATOM 528 CA PRO A 36 2.030 -11.147 0.831 1.00 1.00 C ATOM 529 C PRO A 36 1.317 -9.908 1.373 1.00 1.00 C ATOM 530 O PRO A 36 0.532 -9.995 2.316 1.00 1.00 O ATOM 531 CB PRO A 36 1.063 -12.337 0.630 1.00 1.00 C ATOM 532 CG PRO A 36 1.017 -12.985 1.987 1.00 1.00 C ATOM 533 CD PRO A 36 2.454 -12.867 2.545 1.00 1.00 C ATOM 0 HA PRO A 36 2.484 -10.812 -0.101 1.00 1.00 H new ATOM 0 HB2 PRO A 36 0.076 -12.003 0.311 1.00 1.00 H new ATOM 0 HB3 PRO A 36 1.427 -13.026 -0.132 1.00 1.00 H new ATOM 0 HG2 PRO A 36 0.300 -12.484 2.638 1.00 1.00 H new ATOM 0 HG3 PRO A 36 0.708 -14.028 1.915 1.00 1.00 H new ATOM 0 HD2 PRO A 36 2.452 -12.713 3.624 1.00 1.00 H new ATOM 0 HD3 PRO A 36 3.033 -13.770 2.353 1.00 1.00 H new ATOM 541 N VAL A 37 1.588 -8.760 0.759 1.00 1.00 N ATOM 542 CA VAL A 37 0.959 -7.508 1.189 1.00 1.00 C ATOM 543 C VAL A 37 -0.488 -7.463 0.706 1.00 1.00 C ATOM 544 O VAL A 37 -0.801 -7.960 -0.377 1.00 1.00 O ATOM 545 CB VAL A 37 1.764 -6.302 0.639 1.00 1.00 C ATOM 546 CG1 VAL A 37 1.765 -6.286 -0.911 1.00 1.00 C ATOM 547 CG2 VAL A 37 1.181 -4.964 1.167 1.00 1.00 C ATOM 0 H VAL A 37 2.230 -8.667 -0.028 1.00 1.00 H new ATOM 0 HA VAL A 37 0.959 -7.455 2.278 1.00 1.00 H new ATOM 0 HB VAL A 37 2.790 -6.411 0.989 1.00 1.00 H new ATOM 0 HG11 VAL A 37 2.337 -5.429 -1.266 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.218 -7.204 -1.284 1.00 1.00 H new ATOM 0 HG13 VAL A 37 0.740 -6.213 -1.275 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.761 -4.132 0.768 1.00 1.00 H new ATOM 0 HG22 VAL A 37 0.143 -4.868 0.848 1.00 1.00 H new ATOM 0 HG23 VAL A 37 1.229 -4.951 2.256 1.00 1.00 H new ATOM 557 N ALA A 38 -1.357 -6.846 1.498 1.00 1.00 N ATOM 558 CA ALA A 38 -2.788 -6.723 1.151 1.00 1.00 C ATOM 559 C ALA A 38 -3.236 -5.270 1.297 1.00 1.00 C ATOM 560 O ALA A 38 -3.134 -4.687 2.377 1.00 1.00 O ATOM 561 CB ALA A 38 -3.605 -7.624 2.094 1.00 1.00 C ATOM 0 H ALA A 38 -1.105 -6.419 2.389 1.00 1.00 H new ATOM 0 HA ALA A 38 -2.946 -7.032 0.118 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -4.664 -7.542 1.848 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -3.284 -8.659 1.977 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -3.447 -7.309 3.126 1.00 1.00 H new ATOM 567 N VAL A 39 -3.746 -4.698 0.211 1.00 1.00 N ATOM 568 CA VAL A 39 -4.215 -3.298 0.197 1.00 1.00 C ATOM 569 C VAL A 39 -5.717 -3.260 -0.092 1.00 1.00 C ATOM 570 O VAL A 39 -6.241 -4.052 -0.876 1.00 1.00 O ATOM 571 CB VAL A 39 -3.433 -2.492 -0.879 1.00 1.00 C ATOM 572 CG1 VAL A 39 -3.779 -0.983 -0.784 1.00 1.00 C ATOM 573 CG2 VAL A 39 -1.909 -2.678 -0.668 1.00 1.00 C ATOM 0 H VAL A 39 -3.850 -5.179 -0.682 1.00 1.00 H new ATOM 0 HA VAL A 39 -4.035 -2.845 1.172 1.00 1.00 H new ATOM 0 HB VAL A 39 -3.718 -2.863 -1.864 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -3.223 -0.434 -1.544 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -4.848 -0.844 -0.945 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -3.509 -0.609 0.204 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -1.365 -2.112 -1.424 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.632 -2.319 0.323 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.656 -3.735 -0.755 1.00 1.00 H new ATOM 583 N TYR A 40 -6.401 -2.322 0.555 1.00 1.00 N ATOM 584 CA TYR A 40 -7.851 -2.170 0.372 1.00 1.00 C ATOM 585 C TYR A 40 -8.282 -0.734 0.719 1.00 1.00 C ATOM 586 O TYR A 40 -7.906 -0.201 1.764 1.00 1.00 O ATOM 587 CB TYR A 40 -8.586 -3.203 1.261 1.00 1.00 C ATOM 588 CG TYR A 40 -8.088 -3.075 2.706 1.00 1.00 C ATOM 589 CD1 TYR A 40 -6.968 -3.817 3.139 1.00 1.00 C ATOM 590 CD2 TYR A 40 -8.734 -2.206 3.608 1.00 1.00 C ATOM 591 CE1 TYR A 40 -6.505 -3.687 4.455 1.00 1.00 C ATOM 592 CE2 TYR A 40 -8.267 -2.086 4.922 1.00 1.00 C ATOM 593 CZ TYR A 40 -7.154 -2.823 5.344 1.00 1.00 C ATOM 594 OH TYR A 40 -6.694 -2.689 6.637 1.00 1.00 O ATOM 0 H TYR A 40 -5.984 -1.658 1.207 1.00 1.00 H new ATOM 0 HA TYR A 40 -8.113 -2.353 -0.670 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -9.662 -3.035 1.219 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.406 -4.212 0.890 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.467 -4.486 2.455 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -9.590 -1.632 3.285 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -5.647 -4.254 4.783 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -8.767 -1.423 5.612 1.00 1.00 H new ATOM 0 HH TYR A 40 -7.258 -2.049 7.120 1.00 1.00 H new ATOM 604 N LEU A 41 -9.082 -0.130 -0.155 1.00 1.00 N ATOM 605 CA LEU A 41 -9.572 1.255 0.076 1.00 1.00 C ATOM 606 C LEU A 41 -10.854 1.216 0.909 1.00 1.00 C ATOM 607 O LEU A 41 -11.813 0.515 0.585 1.00 1.00 O ATOM 608 CB LEU A 41 -9.823 1.980 -1.294 1.00 1.00 C ATOM 609 CG LEU A 41 -8.542 2.711 -1.797 1.00 1.00 C ATOM 610 CD1 LEU A 41 -7.380 1.707 -1.993 1.00 1.00 C ATOM 611 CD2 LEU A 41 -8.840 3.426 -3.133 1.00 1.00 C ATOM 0 H LEU A 41 -9.409 -0.557 -1.022 1.00 1.00 H new ATOM 0 HA LEU A 41 -8.814 1.816 0.623 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -10.144 1.252 -2.039 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -10.634 2.700 -1.183 1.00 1.00 H new ATOM 0 HG LEU A 41 -8.246 3.445 -1.047 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -6.496 2.238 -2.344 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -7.157 1.219 -1.044 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -7.668 0.956 -2.728 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -7.942 3.936 -3.481 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -9.152 2.693 -3.876 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -9.637 4.155 -2.986 1.00 1.00 H new ATOM 623 N GLY A 42 -10.855 1.987 1.993 1.00 1.00 N ATOM 624 CA GLY A 42 -12.005 2.076 2.903 1.00 1.00 C ATOM 625 C GLY A 42 -11.605 1.667 4.316 1.00 1.00 C ATOM 626 O GLY A 42 -10.444 1.761 4.715 1.00 1.00 O ATOM 0 H GLY A 42 -10.064 2.568 2.269 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.392 3.095 2.910 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.809 1.432 2.546 1.00 1.00 H new ATOM 630 N ASN A 43 -12.596 1.206 5.072 1.00 1.00 N ATOM 631 CA ASN A 43 -12.361 0.778 6.480 1.00 1.00 C ATOM 632 C ASN A 43 -12.782 -0.705 6.710 1.00 1.00 C ATOM 633 O ASN A 43 -13.794 -1.116 6.144 1.00 1.00 O ATOM 634 CB ASN A 43 -13.149 1.707 7.420 1.00 1.00 C ATOM 635 CG ASN A 43 -12.656 3.149 7.256 1.00 1.00 C ATOM 636 OD1 ASN A 43 -11.755 3.582 7.976 1.00 1.00 O ATOM 637 ND2 ASN A 43 -13.185 3.914 6.340 1.00 1.00 N ATOM 0 H ASN A 43 -13.561 1.113 4.756 1.00 1.00 H new ATOM 0 HA ASN A 43 -11.294 0.847 6.692 1.00 1.00 H new ATOM 0 HB2 ASN A 43 -14.214 1.649 7.195 1.00 1.00 H new ATOM 0 HB3 ASN A 43 -13.024 1.385 8.454 1.00 1.00 H new ATOM 0 HD21 ASN A 43 -12.852 4.871 6.220 1.00 1.00 H new ATOM 0 HD22 ASN A 43 -13.931 3.555 5.744 1.00 1.00 H new ATOM 644 N PRO A 44 -12.076 -1.460 7.506 1.00 1.00 N ATOM 645 CA PRO A 44 -12.474 -2.900 7.765 1.00 1.00 C ATOM 646 C PRO A 44 -13.960 -3.057 8.146 1.00 1.00 C ATOM 647 O PRO A 44 -14.627 -4.004 7.729 1.00 1.00 O ATOM 648 CB PRO A 44 -11.555 -3.338 8.949 1.00 1.00 C ATOM 649 CG PRO A 44 -10.328 -2.479 8.815 1.00 1.00 C ATOM 650 CD PRO A 44 -10.825 -1.123 8.262 1.00 1.00 C ATOM 0 HA PRO A 44 -12.353 -3.509 6.869 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -12.045 -3.182 9.910 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -11.306 -4.397 8.887 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -9.832 -2.351 9.777 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -9.603 -2.935 8.141 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -11.026 -0.416 9.067 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -10.081 -0.663 7.612 1.00 1.00 H new ATOM 658 N ALA A 45 -14.455 -2.122 8.951 1.00 1.00 N ATOM 659 CA ALA A 45 -15.854 -2.160 9.398 1.00 1.00 C ATOM 660 C ALA A 45 -16.812 -2.083 8.205 1.00 1.00 C ATOM 661 O ALA A 45 -17.810 -2.802 8.146 1.00 1.00 O ATOM 662 CB ALA A 45 -16.116 -0.984 10.353 1.00 1.00 C ATOM 0 H ALA A 45 -13.918 -1.332 9.308 1.00 1.00 H new ATOM 0 HA ALA A 45 -16.029 -3.103 9.916 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -17.154 -1.010 10.686 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -15.456 -1.062 11.217 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -15.925 -0.045 9.834 1.00 1.00 H new ATOM 668 N GLN A 46 -16.492 -1.210 7.257 1.00 1.00 N ATOM 669 CA GLN A 46 -17.323 -1.040 6.057 1.00 1.00 C ATOM 670 C GLN A 46 -17.152 -2.240 5.125 1.00 1.00 C ATOM 671 O GLN A 46 -17.631 -2.224 3.990 1.00 1.00 O ATOM 672 CB GLN A 46 -16.918 0.259 5.323 1.00 1.00 C ATOM 673 CG GLN A 46 -17.202 1.486 6.217 1.00 1.00 C ATOM 674 CD GLN A 46 -16.791 2.783 5.513 1.00 1.00 C ATOM 675 OE1 GLN A 46 -16.392 2.768 4.347 1.00 1.00 O ATOM 676 NE2 GLN A 46 -16.862 3.912 6.161 1.00 1.00 N ATOM 0 H GLN A 46 -15.669 -0.609 7.289 1.00 1.00 H new ATOM 0 HA GLN A 46 -18.369 -0.973 6.355 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -15.860 0.225 5.065 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -17.472 0.345 4.388 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -18.263 1.523 6.465 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -16.658 1.390 7.157 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -17.192 3.926 7.126 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -16.588 4.781 5.703 1.00 1.00 H new ATOM 685 N GLY A 47 -16.465 -3.271 5.606 1.00 1.00 N ATOM 686 CA GLY A 47 -16.233 -4.477 4.813 1.00 1.00 C ATOM 687 C GLY A 47 -15.326 -4.174 3.626 1.00 1.00 C ATOM 688 O GLY A 47 -15.778 -4.127 2.481 1.00 1.00 O ATOM 0 H GLY A 47 -16.058 -3.297 6.541 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -15.779 -5.247 5.437 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -17.184 -4.874 4.458 1.00 1.00 H new ATOM 692 N GLY A 48 -14.045 -3.965 3.909 1.00 1.00 N ATOM 693 CA GLY A 48 -13.063 -3.665 2.863 1.00 1.00 C ATOM 694 C GLY A 48 -12.949 -4.820 1.876 1.00 1.00 C ATOM 695 O GLY A 48 -13.378 -5.937 2.165 1.00 1.00 O ATOM 0 H GLY A 48 -13.658 -3.997 4.852 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -13.355 -2.757 2.335 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -12.091 -3.472 3.316 1.00 1.00 H new ATOM 699 N VAL A 49 -12.365 -4.548 0.713 1.00 1.00 N ATOM 700 CA VAL A 49 -12.187 -5.574 -0.342 1.00 1.00 C ATOM 701 C VAL A 49 -10.771 -5.503 -0.926 1.00 1.00 C ATOM 702 O VAL A 49 -10.215 -4.422 -1.123 1.00 1.00 O ATOM 703 CB VAL A 49 -13.253 -5.362 -1.458 1.00 1.00 C ATOM 704 CG1 VAL A 49 -13.079 -3.976 -2.136 1.00 1.00 C ATOM 705 CG2 VAL A 49 -13.153 -6.480 -2.534 1.00 1.00 C ATOM 0 H VAL A 49 -12.002 -3.628 0.465 1.00 1.00 H new ATOM 0 HA VAL A 49 -12.322 -6.564 0.094 1.00 1.00 H new ATOM 0 HB VAL A 49 -14.235 -5.405 -0.987 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -13.835 -3.853 -2.911 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -13.192 -3.189 -1.390 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -12.087 -3.912 -2.583 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -13.906 -6.313 -3.304 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -12.162 -6.462 -2.987 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -13.321 -7.450 -2.067 1.00 1.00 H new ATOM 715 N GLU A 50 -10.203 -6.671 -1.210 1.00 1.00 N ATOM 716 CA GLU A 50 -8.851 -6.738 -1.782 1.00 1.00 C ATOM 717 C GLU A 50 -8.896 -6.359 -3.272 1.00 1.00 C ATOM 718 O GLU A 50 -9.765 -6.807 -4.020 1.00 1.00 O ATOM 719 CB GLU A 50 -8.274 -8.166 -1.596 1.00 1.00 C ATOM 720 CG GLU A 50 -6.771 -8.233 -2.000 1.00 1.00 C ATOM 721 CD GLU A 50 -5.908 -7.375 -1.067 1.00 1.00 C ATOM 722 OE1 GLU A 50 -6.332 -7.141 0.054 1.00 1.00 O ATOM 723 OE2 GLU A 50 -4.847 -6.954 -1.495 1.00 1.00 O ATOM 0 H GLU A 50 -10.646 -7.577 -1.058 1.00 1.00 H new ATOM 0 HA GLU A 50 -8.202 -6.031 -1.265 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -8.386 -8.472 -0.556 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -8.845 -8.872 -2.199 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -6.429 -9.267 -1.968 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -6.652 -7.890 -3.028 1.00 1.00 H new ATOM 730 N ILE A 51 -7.939 -5.534 -3.684 1.00 1.00 N ATOM 731 CA ILE A 51 -7.852 -5.080 -5.096 1.00 1.00 C ATOM 732 C ILE A 51 -6.746 -5.841 -5.807 1.00 1.00 C ATOM 733 O ILE A 51 -6.909 -6.259 -6.953 1.00 1.00 O ATOM 734 CB ILE A 51 -7.579 -3.551 -5.146 1.00 1.00 C ATOM 735 CG1 ILE A 51 -8.706 -2.805 -4.367 1.00 1.00 C ATOM 736 CG2 ILE A 51 -7.564 -3.056 -6.624 1.00 1.00 C ATOM 737 CD1 ILE A 51 -8.387 -1.305 -4.247 1.00 1.00 C ATOM 0 H ILE A 51 -7.210 -5.160 -3.076 1.00 1.00 H new ATOM 0 HA ILE A 51 -8.798 -5.279 -5.600 1.00 1.00 H new ATOM 0 HB ILE A 51 -6.610 -3.346 -4.692 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -9.658 -2.939 -4.880 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.815 -3.239 -3.373 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -7.372 -1.983 -6.647 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -6.780 -3.577 -7.174 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -8.529 -3.261 -7.086 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -9.187 -0.806 -3.700 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -7.446 -1.175 -3.713 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -8.302 -0.870 -5.243 1.00 1.00 H new ATOM 749 N GLY A 52 -5.613 -6.004 -5.131 1.00 1.00 N ATOM 750 CA GLY A 52 -4.479 -6.710 -5.716 1.00 1.00 C ATOM 751 C GLY A 52 -3.374 -6.886 -4.691 1.00 1.00 C ATOM 752 O GLY A 52 -3.326 -6.188 -3.678 1.00 1.00 O ATOM 0 H GLY A 52 -5.456 -5.659 -4.184 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -4.800 -7.685 -6.083 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -4.101 -6.155 -6.574 1.00 1.00 H new ATOM 756 N ARG A 53 -2.485 -7.838 -4.956 1.00 1.00 N ATOM 757 CA ARG A 53 -1.366 -8.131 -4.050 1.00 1.00 C ATOM 758 C ARG A 53 -0.179 -8.691 -4.833 1.00 1.00 C ATOM 759 O ARG A 53 -0.305 -9.116 -5.982 1.00 1.00 O ATOM 760 CB ARG A 53 -1.823 -9.142 -2.972 1.00 1.00 C ATOM 761 CG ARG A 53 -2.421 -10.408 -3.635 1.00 1.00 C ATOM 762 CD ARG A 53 -2.837 -11.420 -2.554 1.00 1.00 C ATOM 763 NE ARG A 53 -3.871 -10.839 -1.695 1.00 1.00 N ATOM 764 CZ ARG A 53 -4.347 -11.483 -0.622 1.00 1.00 C ATOM 765 NH1 ARG A 53 -3.894 -12.666 -0.299 1.00 1.00 N ATOM 766 NH2 ARG A 53 -5.271 -10.923 0.107 1.00 1.00 N ATOM 0 H ARG A 53 -2.513 -8.424 -5.791 1.00 1.00 H new ATOM 0 HA ARG A 53 -1.051 -7.208 -3.564 1.00 1.00 H new ATOM 0 HB2 ARG A 53 -0.977 -9.419 -2.343 1.00 1.00 H new ATOM 0 HB3 ARG A 53 -2.566 -8.679 -2.322 1.00 1.00 H new ATOM 0 HG2 ARG A 53 -3.284 -10.137 -4.243 1.00 1.00 H new ATOM 0 HG3 ARG A 53 -1.688 -10.859 -4.304 1.00 1.00 H new ATOM 0 HD2 ARG A 53 -3.211 -12.331 -3.022 1.00 1.00 H new ATOM 0 HD3 ARG A 53 -1.971 -11.701 -1.955 1.00 1.00 H new ATOM 0 HE ARG A 53 -4.240 -9.915 -1.921 1.00 1.00 H new ATOM 0 HH11 ARG A 53 -3.171 -13.108 -0.867 1.00 1.00 H new ATOM 0 HH12 ARG A 53 -4.264 -13.147 0.521 1.00 1.00 H new ATOM 0 HH21 ARG A 53 -5.627 -10.000 -0.141 1.00 1.00 H new ATOM 0 HH22 ARG A 53 -5.638 -11.408 0.926 1.00 1.00 H new ATOM 780 N ASP A 54 0.982 -8.690 -4.185 1.00 1.00 N ATOM 781 CA ASP A 54 2.211 -9.210 -4.808 1.00 1.00 C ATOM 782 C ASP A 54 3.196 -9.679 -3.733 1.00 1.00 C ATOM 783 O ASP A 54 3.691 -8.870 -2.947 1.00 1.00 O ATOM 784 CB ASP A 54 2.854 -8.108 -5.677 1.00 1.00 C ATOM 785 CG ASP A 54 4.071 -8.647 -6.445 1.00 1.00 C ATOM 786 OD1 ASP A 54 3.867 -9.428 -7.361 1.00 1.00 O ATOM 787 OD2 ASP A 54 5.183 -8.270 -6.107 1.00 1.00 O ATOM 0 H ASP A 54 1.105 -8.339 -3.235 1.00 1.00 H new ATOM 0 HA ASP A 54 1.959 -10.063 -5.438 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.118 -7.721 -6.382 1.00 1.00 H new ATOM 0 HB3 ASP A 54 3.159 -7.274 -5.045 1.00 1.00 H new ATOM 792 N THR A 55 3.487 -10.976 -3.718 1.00 1.00 N ATOM 793 CA THR A 55 4.422 -11.535 -2.736 1.00 1.00 C ATOM 794 C THR A 55 5.848 -11.205 -3.153 1.00 1.00 C ATOM 795 O THR A 55 6.229 -11.372 -4.312 1.00 1.00 O ATOM 796 CB THR A 55 4.228 -13.068 -2.618 1.00 1.00 C ATOM 797 OG1 THR A 55 2.852 -13.339 -2.401 1.00 1.00 O ATOM 798 CG2 THR A 55 5.041 -13.640 -1.434 1.00 1.00 C ATOM 0 H THR A 55 3.095 -11.658 -4.367 1.00 1.00 H new ATOM 0 HA THR A 55 4.226 -11.094 -1.759 1.00 1.00 H new ATOM 0 HB THR A 55 4.576 -13.536 -3.539 1.00 1.00 H new ATOM 0 HG1 THR A 55 2.717 -14.307 -2.326 1.00 1.00 H new ATOM 0 HG21 THR A 55 4.887 -14.717 -1.374 1.00 1.00 H new ATOM 0 HG22 THR A 55 6.100 -13.433 -1.586 1.00 1.00 H new ATOM 0 HG23 THR A 55 4.710 -13.174 -0.506 1.00 1.00 H new ATOM 806 N ILE A 56 6.642 -10.745 -2.191 1.00 1.00 N ATOM 807 CA ILE A 56 8.031 -10.385 -2.456 1.00 1.00 C ATOM 808 C ILE A 56 8.891 -11.653 -2.492 1.00 1.00 C ATOM 809 O ILE A 56 8.636 -12.608 -1.756 1.00 1.00 O ATOM 810 CB ILE A 56 8.543 -9.407 -1.367 1.00 1.00 C ATOM 811 CG1 ILE A 56 7.528 -8.231 -1.162 1.00 1.00 C ATOM 812 CG2 ILE A 56 9.937 -8.854 -1.759 1.00 1.00 C ATOM 813 CD1 ILE A 56 7.264 -7.432 -2.452 1.00 1.00 C ATOM 0 H ILE A 56 6.348 -10.613 -1.223 1.00 1.00 H new ATOM 0 HA ILE A 56 8.099 -9.887 -3.423 1.00 1.00 H new ATOM 0 HB ILE A 56 8.633 -9.951 -0.427 1.00 1.00 H new ATOM 0 HG12 ILE A 56 6.585 -8.633 -0.791 1.00 1.00 H new ATOM 0 HG13 ILE A 56 7.911 -7.557 -0.396 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.287 -8.168 -0.987 1.00 1.00 H new ATOM 0 HG22 ILE A 56 10.642 -9.680 -1.857 1.00 1.00 H new ATOM 0 HG23 ILE A 56 9.864 -8.324 -2.709 1.00 1.00 H new ATOM 0 HD11 ILE A 56 6.553 -6.632 -2.245 1.00 1.00 H new ATOM 0 HD12 ILE A 56 8.199 -7.003 -2.812 1.00 1.00 H new ATOM 0 HD13 ILE A 56 6.852 -8.095 -3.213 1.00 1.00 H new ATOM 825 N SER A 57 9.910 -11.648 -3.346 1.00 1.00 N ATOM 826 CA SER A 57 10.800 -12.811 -3.462 1.00 1.00 C ATOM 827 C SER A 57 11.547 -13.053 -2.149 1.00 1.00 C ATOM 828 O SER A 57 11.598 -14.168 -1.630 1.00 1.00 O ATOM 829 CB SER A 57 11.815 -12.572 -4.595 1.00 1.00 C ATOM 830 OG SER A 57 11.114 -12.366 -5.811 1.00 1.00 O ATOM 0 H SER A 57 10.142 -10.868 -3.961 1.00 1.00 H new ATOM 0 HA SER A 57 10.196 -13.690 -3.687 1.00 1.00 H new ATOM 0 HB2 SER A 57 12.435 -11.705 -4.367 1.00 1.00 H new ATOM 0 HB3 SER A 57 12.484 -13.428 -4.687 1.00 1.00 H new ATOM 0 HG SER A 57 11.755 -12.212 -6.536 1.00 1.00 H new ATOM 836 N ARG A 58 12.135 -11.983 -1.626 1.00 1.00 N ATOM 837 CA ARG A 58 12.901 -12.062 -0.373 1.00 1.00 C ATOM 838 C ARG A 58 13.320 -10.657 0.085 1.00 1.00 C ATOM 839 O ARG A 58 13.676 -9.803 -0.728 1.00 1.00 O ATOM 840 CB ARG A 58 14.156 -12.958 -0.578 1.00 1.00 C ATOM 841 CG ARG A 58 14.981 -12.445 -1.782 1.00 1.00 C ATOM 842 CD ARG A 58 16.213 -13.333 -2.009 1.00 1.00 C ATOM 843 NE ARG A 58 17.097 -13.259 -0.845 1.00 1.00 N ATOM 844 CZ ARG A 58 18.250 -13.933 -0.788 1.00 1.00 C ATOM 845 NH1 ARG A 58 18.637 -14.671 -1.799 1.00 1.00 N ATOM 846 NH2 ARG A 58 18.996 -13.844 0.273 1.00 1.00 N ATOM 0 H ARG A 58 12.101 -11.052 -2.042 1.00 1.00 H new ATOM 0 HA ARG A 58 12.272 -12.504 0.399 1.00 1.00 H new ATOM 0 HB2 ARG A 58 14.769 -12.951 0.323 1.00 1.00 H new ATOM 0 HB3 ARG A 58 13.852 -13.991 -0.749 1.00 1.00 H new ATOM 0 HG2 ARG A 58 14.361 -12.438 -2.678 1.00 1.00 H new ATOM 0 HG3 ARG A 58 15.295 -11.417 -1.603 1.00 1.00 H new ATOM 0 HD2 ARG A 58 15.903 -14.364 -2.177 1.00 1.00 H new ATOM 0 HD3 ARG A 58 16.746 -13.010 -2.903 1.00 1.00 H new ATOM 0 HE ARG A 58 16.825 -12.676 -0.054 1.00 1.00 H new ATOM 0 HH11 ARG A 58 18.057 -14.734 -2.636 1.00 1.00 H new ATOM 0 HH12 ARG A 58 19.518 -15.183 -1.749 1.00 1.00 H new ATOM 0 HH21 ARG A 58 18.701 -13.262 1.057 1.00 1.00 H new ATOM 0 HH22 ARG A 58 19.877 -14.356 0.322 1.00 1.00 H new ATOM 860 N ILE A 59 13.287 -10.439 1.395 1.00 1.00 N ATOM 861 CA ILE A 59 13.681 -9.116 1.968 1.00 1.00 C ATOM 862 C ILE A 59 14.832 -9.273 3.003 1.00 1.00 C ATOM 863 O ILE A 59 14.628 -9.976 3.993 1.00 1.00 O ATOM 864 CB ILE A 59 12.453 -8.426 2.646 1.00 1.00 C ATOM 865 CG1 ILE A 59 11.314 -8.258 1.592 1.00 1.00 C ATOM 866 CG2 ILE A 59 12.876 -7.016 3.205 1.00 1.00 C ATOM 867 CD1 ILE A 59 10.023 -7.739 2.250 1.00 1.00 C ATOM 0 H ILE A 59 13.000 -11.133 2.085 1.00 1.00 H new ATOM 0 HA ILE A 59 14.036 -8.492 1.148 1.00 1.00 H new ATOM 0 HB ILE A 59 12.097 -9.042 3.472 1.00 1.00 H new ATOM 0 HG12 ILE A 59 11.634 -7.565 0.814 1.00 1.00 H new ATOM 0 HG13 ILE A 59 11.119 -9.214 1.106 1.00 1.00 H new ATOM 0 HG21 ILE A 59 12.017 -6.539 3.677 1.00 1.00 H new ATOM 0 HG22 ILE A 59 13.671 -7.140 3.940 1.00 1.00 H new ATOM 0 HG23 ILE A 59 13.233 -6.392 2.386 1.00 1.00 H new ATOM 0 HD11 ILE A 59 9.247 -7.631 1.493 1.00 1.00 H new ATOM 0 HD12 ILE A 59 9.692 -8.446 3.011 1.00 1.00 H new ATOM 0 HD13 ILE A 59 10.214 -6.771 2.713 1.00 1.00 H new ATOM 879 N PRO A 60 15.966 -8.658 2.809 1.00 1.00 N ATOM 880 CA PRO A 60 17.097 -8.789 3.800 1.00 1.00 C ATOM 881 C PRO A 60 16.803 -8.018 5.105 1.00 1.00 C ATOM 882 O PRO A 60 15.884 -7.200 5.178 1.00 1.00 O ATOM 883 CB PRO A 60 18.324 -8.218 3.031 1.00 1.00 C ATOM 884 CG PRO A 60 17.727 -7.174 2.130 1.00 1.00 C ATOM 885 CD PRO A 60 16.378 -7.764 1.674 1.00 1.00 C ATOM 0 HA PRO A 60 17.260 -9.815 4.129 1.00 1.00 H new ATOM 0 HB2 PRO A 60 19.058 -7.787 3.712 1.00 1.00 H new ATOM 0 HB3 PRO A 60 18.835 -8.994 2.461 1.00 1.00 H new ATOM 0 HG2 PRO A 60 17.587 -6.231 2.658 1.00 1.00 H new ATOM 0 HG3 PRO A 60 18.376 -6.970 1.279 1.00 1.00 H new ATOM 0 HD2 PRO A 60 15.641 -6.981 1.495 1.00 1.00 H new ATOM 0 HD3 PRO A 60 16.481 -8.323 0.744 1.00 1.00 H new ATOM 893 N VAL A 61 17.606 -8.297 6.125 1.00 1.00 N ATOM 894 CA VAL A 61 17.452 -7.653 7.430 1.00 1.00 C ATOM 895 C VAL A 61 17.747 -6.154 7.324 1.00 1.00 C ATOM 896 O VAL A 61 18.676 -5.746 6.628 1.00 1.00 O ATOM 897 CB VAL A 61 18.409 -8.324 8.448 1.00 1.00 C ATOM 898 CG1 VAL A 61 18.007 -9.805 8.645 1.00 1.00 C ATOM 899 CG2 VAL A 61 19.880 -8.251 7.953 1.00 1.00 C ATOM 0 H VAL A 61 18.374 -8.967 6.076 1.00 1.00 H new ATOM 0 HA VAL A 61 16.424 -7.772 7.772 1.00 1.00 H new ATOM 0 HB VAL A 61 18.331 -7.791 9.395 1.00 1.00 H new ATOM 0 HG11 VAL A 61 18.682 -10.273 9.361 1.00 1.00 H new ATOM 0 HG12 VAL A 61 16.985 -9.858 9.021 1.00 1.00 H new ATOM 0 HG13 VAL A 61 18.070 -10.329 7.691 1.00 1.00 H new ATOM 0 HG21 VAL A 61 20.534 -8.728 8.683 1.00 1.00 H new ATOM 0 HG22 VAL A 61 19.968 -8.766 6.996 1.00 1.00 H new ATOM 0 HG23 VAL A 61 20.172 -7.208 7.832 1.00 1.00 H new ATOM 909 N GLY A 62 16.944 -5.344 8.007 1.00 1.00 N ATOM 910 CA GLY A 62 17.135 -3.895 7.979 1.00 1.00 C ATOM 911 C GLY A 62 16.786 -3.341 6.615 1.00 1.00 C ATOM 912 O GLY A 62 17.246 -2.264 6.235 1.00 1.00 O ATOM 0 H GLY A 62 16.163 -5.660 8.581 1.00 1.00 H new ATOM 0 HA2 GLY A 62 16.511 -3.425 8.739 1.00 1.00 H new ATOM 0 HA3 GLY A 62 18.170 -3.654 8.222 1.00 1.00 H new ATOM 916 N GLY A 63 15.967 -4.081 5.873 1.00 1.00 N ATOM 917 CA GLY A 63 15.532 -3.695 4.519 1.00 1.00 C ATOM 918 C GLY A 63 14.026 -3.500 4.474 1.00 1.00 C ATOM 919 O GLY A 63 13.344 -3.520 5.498 1.00 1.00 O ATOM 0 H GLY A 63 15.580 -4.971 6.188 1.00 1.00 H new ATOM 0 HA2 GLY A 63 16.032 -2.774 4.220 1.00 1.00 H new ATOM 0 HA3 GLY A 63 15.826 -4.464 3.804 1.00 1.00 H new ATOM 923 N THR A 64 13.512 -3.306 3.264 1.00 1.00 N ATOM 924 CA THR A 64 12.068 -3.084 3.041 1.00 1.00 C ATOM 925 C THR A 64 11.596 -3.824 1.795 1.00 1.00 C ATOM 926 O THR A 64 12.315 -4.642 1.221 1.00 1.00 O ATOM 927 CB THR A 64 11.775 -1.573 2.900 1.00 1.00 C ATOM 928 OG1 THR A 64 12.244 -1.115 1.636 1.00 1.00 O ATOM 929 CG2 THR A 64 12.485 -0.780 4.019 1.00 1.00 C ATOM 0 H THR A 64 14.070 -3.296 2.410 1.00 1.00 H new ATOM 0 HA THR A 64 11.525 -3.473 3.902 1.00 1.00 H new ATOM 0 HB THR A 64 10.699 -1.416 2.979 1.00 1.00 H new ATOM 0 HG1 THR A 64 12.057 -0.157 1.545 1.00 1.00 H new ATOM 0 HG21 THR A 64 12.269 0.282 3.906 1.00 1.00 H new ATOM 0 HG22 THR A 64 12.127 -1.122 4.990 1.00 1.00 H new ATOM 0 HG23 THR A 64 13.561 -0.940 3.952 1.00 1.00 H new ATOM 937 N GLY A 65 10.372 -3.515 1.376 1.00 1.00 N ATOM 938 CA GLY A 65 9.771 -4.156 0.190 1.00 1.00 C ATOM 939 C GLY A 65 8.973 -3.151 -0.606 1.00 1.00 C ATOM 940 O GLY A 65 8.441 -2.186 -0.059 1.00 1.00 O ATOM 0 H GLY A 65 9.772 -2.828 1.832 1.00 1.00 H new ATOM 0 HA2 GLY A 65 10.554 -4.585 -0.435 1.00 1.00 H new ATOM 0 HA3 GLY A 65 9.126 -4.978 0.501 1.00 1.00 H new ATOM 944 N LEU A 66 8.891 -3.377 -1.914 1.00 1.00 N ATOM 945 CA LEU A 66 8.148 -2.468 -2.807 1.00 1.00 C ATOM 946 C LEU A 66 7.218 -3.270 -3.724 1.00 1.00 C ATOM 947 O LEU A 66 7.655 -4.048 -4.573 1.00 1.00 O ATOM 948 CB LEU A 66 9.154 -1.603 -3.645 1.00 1.00 C ATOM 949 CG LEU A 66 8.576 -0.177 -3.964 1.00 1.00 C ATOM 950 CD1 LEU A 66 7.209 -0.280 -4.695 1.00 1.00 C ATOM 951 CD2 LEU A 66 8.427 0.690 -2.655 1.00 1.00 C ATOM 0 H LEU A 66 9.323 -4.172 -2.384 1.00 1.00 H new ATOM 0 HA LEU A 66 7.534 -1.797 -2.206 1.00 1.00 H new ATOM 0 HB2 LEU A 66 10.090 -1.501 -3.096 1.00 1.00 H new ATOM 0 HB3 LEU A 66 9.386 -2.118 -4.577 1.00 1.00 H new ATOM 0 HG LEU A 66 9.287 0.320 -4.624 1.00 1.00 H new ATOM 0 HD11 LEU A 66 6.832 0.721 -4.904 1.00 1.00 H new ATOM 0 HD12 LEU A 66 7.337 -0.822 -5.632 1.00 1.00 H new ATOM 0 HD13 LEU A 66 6.498 -0.811 -4.063 1.00 1.00 H new ATOM 0 HD21 LEU A 66 8.025 1.670 -2.912 1.00 1.00 H new ATOM 0 HD22 LEU A 66 7.750 0.190 -1.962 1.00 1.00 H new ATOM 0 HD23 LEU A 66 9.403 0.810 -2.185 1.00 1.00 H new ATOM 963 N ALA A 67 5.919 -3.059 -3.537 1.00 1.00 N ATOM 964 CA ALA A 67 4.890 -3.740 -4.332 1.00 1.00 C ATOM 965 C ALA A 67 4.250 -2.751 -5.300 1.00 1.00 C ATOM 966 O ALA A 67 4.244 -1.540 -5.077 1.00 1.00 O ATOM 967 CB ALA A 67 3.833 -4.324 -3.384 1.00 1.00 C ATOM 0 H ALA A 67 5.547 -2.417 -2.837 1.00 1.00 H new ATOM 0 HA ALA A 67 5.339 -4.548 -4.910 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.064 -4.832 -3.965 1.00 1.00 H new ATOM 0 HB2 ALA A 67 4.305 -5.036 -2.707 1.00 1.00 H new ATOM 0 HB3 ALA A 67 3.379 -3.519 -2.806 1.00 1.00 H new ATOM 973 N ARG A 68 3.699 -3.290 -6.382 1.00 1.00 N ATOM 974 CA ARG A 68 3.038 -2.448 -7.408 1.00 1.00 C ATOM 975 C ARG A 68 1.621 -2.951 -7.650 1.00 1.00 C ATOM 976 O ARG A 68 1.402 -4.103 -8.022 1.00 1.00 O ATOM 977 CB ARG A 68 3.857 -2.461 -8.724 1.00 1.00 C ATOM 978 CG ARG A 68 3.248 -1.474 -9.758 1.00 1.00 C ATOM 979 CD ARG A 68 4.093 -1.455 -11.041 1.00 1.00 C ATOM 980 NE ARG A 68 4.079 -2.779 -11.665 1.00 1.00 N ATOM 981 CZ ARG A 68 4.784 -3.053 -12.769 1.00 1.00 C ATOM 982 NH1 ARG A 68 5.506 -2.128 -13.349 1.00 1.00 N ATOM 983 NH2 ARG A 68 4.740 -4.253 -13.277 1.00 1.00 N ATOM 0 H ARG A 68 3.689 -4.290 -6.582 1.00 1.00 H new ATOM 0 HA ARG A 68 2.988 -1.420 -7.050 1.00 1.00 H new ATOM 0 HB2 ARG A 68 4.892 -2.187 -8.517 1.00 1.00 H new ATOM 0 HB3 ARG A 68 3.871 -3.469 -9.140 1.00 1.00 H new ATOM 0 HG2 ARG A 68 2.225 -1.768 -9.993 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.201 -0.472 -9.331 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.700 -0.712 -11.735 1.00 1.00 H new ATOM 0 HD3 ARG A 68 5.117 -1.164 -10.808 1.00 1.00 H new ATOM 0 HE ARG A 68 3.514 -3.517 -11.245 1.00 1.00 H new ATOM 0 HH11 ARG A 68 5.536 -1.186 -12.960 1.00 1.00 H new ATOM 0 HH12 ARG A 68 6.039 -2.350 -14.190 1.00 1.00 H new ATOM 0 HH21 ARG A 68 4.171 -4.974 -12.833 1.00 1.00 H new ATOM 0 HH22 ARG A 68 5.274 -4.471 -14.118 1.00 1.00 H new ATOM 997 N VAL A 69 0.655 -2.059 -7.447 1.00 1.00 N ATOM 998 CA VAL A 69 -0.761 -2.384 -7.646 1.00 1.00 C ATOM 999 C VAL A 69 -1.447 -1.230 -8.380 1.00 1.00 C ATOM 1000 O VAL A 69 -1.262 -0.055 -8.061 1.00 1.00 O ATOM 1001 CB VAL A 69 -1.455 -2.643 -6.279 1.00 1.00 C ATOM 1002 CG1 VAL A 69 -2.910 -3.139 -6.494 1.00 1.00 C ATOM 1003 CG2 VAL A 69 -0.656 -3.706 -5.490 1.00 1.00 C ATOM 0 H VAL A 69 0.825 -1.100 -7.143 1.00 1.00 H new ATOM 0 HA VAL A 69 -0.840 -3.291 -8.246 1.00 1.00 H new ATOM 0 HB VAL A 69 -1.484 -1.710 -5.716 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -3.381 -3.315 -5.527 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -3.475 -2.384 -7.040 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -2.897 -4.067 -7.066 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -1.141 -3.889 -4.531 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -0.621 -4.633 -6.062 1.00 1.00 H new ATOM 0 HG23 VAL A 69 0.359 -3.346 -5.320 1.00 1.00 H new ATOM 1013 N GLN A 70 -2.265 -1.593 -9.361 1.00 1.00 N ATOM 1014 CA GLN A 70 -3.008 -0.602 -10.165 1.00 1.00 C ATOM 1015 C GLN A 70 -4.492 -0.646 -9.805 1.00 1.00 C ATOM 1016 O GLN A 70 -5.060 -1.719 -9.599 1.00 1.00 O ATOM 1017 CB GLN A 70 -2.798 -0.894 -11.670 1.00 1.00 C ATOM 1018 CG GLN A 70 -3.189 -2.349 -12.011 1.00 1.00 C ATOM 1019 CD GLN A 70 -2.981 -2.620 -13.499 1.00 1.00 C ATOM 1020 OE1 GLN A 70 -1.901 -3.043 -13.908 1.00 1.00 O ATOM 1021 NE2 GLN A 70 -3.958 -2.394 -14.334 1.00 1.00 N ATOM 0 H GLN A 70 -2.437 -2.563 -9.627 1.00 1.00 H new ATOM 0 HA GLN A 70 -2.634 0.398 -9.948 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -3.396 -0.204 -12.265 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -1.755 -0.722 -11.935 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -2.589 -3.042 -11.421 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -4.231 -2.524 -11.745 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -4.852 -2.043 -13.990 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -3.828 -2.568 -15.331 1.00 1.00 H new ATOM 1030 N TRP A 71 -5.116 0.527 -9.744 1.00 1.00 N ATOM 1031 CA TRP A 71 -6.550 0.630 -9.424 1.00 1.00 C ATOM 1032 C TRP A 71 -7.194 1.731 -10.272 1.00 1.00 C ATOM 1033 O TRP A 71 -6.660 2.830 -10.428 1.00 1.00 O ATOM 1034 CB TRP A 71 -6.747 0.924 -7.916 1.00 1.00 C ATOM 1035 CG TRP A 71 -8.217 1.037 -7.594 1.00 1.00 C ATOM 1036 CD1 TRP A 71 -9.136 0.062 -7.798 1.00 1.00 C ATOM 1037 CD2 TRP A 71 -8.946 2.173 -7.047 1.00 1.00 C ATOM 1038 NE1 TRP A 71 -10.376 0.527 -7.414 1.00 1.00 N ATOM 1039 CE2 TRP A 71 -10.313 1.823 -6.942 1.00 1.00 C ATOM 1040 CE3 TRP A 71 -8.558 3.462 -6.634 1.00 1.00 C ATOM 1041 CZ2 TRP A 71 -11.263 2.718 -6.448 1.00 1.00 C ATOM 1042 CZ3 TRP A 71 -9.511 4.366 -6.135 1.00 1.00 C ATOM 1043 CH2 TRP A 71 -10.861 3.995 -6.043 1.00 1.00 C ATOM 0 H TRP A 71 -4.658 1.423 -9.911 1.00 1.00 H new ATOM 0 HA TRP A 71 -7.033 -0.320 -9.654 1.00 1.00 H new ATOM 0 HB2 TRP A 71 -6.297 0.129 -7.321 1.00 1.00 H new ATOM 0 HB3 TRP A 71 -6.237 1.849 -7.649 1.00 1.00 H new ATOM 0 HD1 TRP A 71 -8.930 -0.920 -8.197 1.00 1.00 H new ATOM 0 HE1 TRP A 71 -11.235 -0.020 -7.472 1.00 1.00 H new ATOM 0 HE3 TRP A 71 -7.521 3.758 -6.701 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 -12.301 2.427 -6.379 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 -9.203 5.352 -5.820 1.00 1.00 H new ATOM 0 HH2 TRP A 71 -11.589 4.695 -5.660 1.00 1.00 H new ATOM 1054 N LYS A 72 -8.366 1.412 -10.810 1.00 1.00 N ATOM 1055 CA LYS A 72 -9.105 2.369 -11.647 1.00 1.00 C ATOM 1056 C LYS A 72 -10.030 3.212 -10.769 1.00 1.00 C ATOM 1057 O LYS A 72 -10.886 2.679 -10.064 1.00 1.00 O ATOM 1058 CB LYS A 72 -9.928 1.610 -12.712 1.00 1.00 C ATOM 1059 CG LYS A 72 -10.590 2.605 -13.699 1.00 1.00 C ATOM 1060 CD LYS A 72 -11.360 1.840 -14.796 1.00 1.00 C ATOM 1061 CE LYS A 72 -11.997 2.838 -15.782 1.00 1.00 C ATOM 1062 NZ LYS A 72 -12.730 2.097 -16.847 1.00 1.00 N ATOM 0 H LYS A 72 -8.826 0.510 -10.688 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.398 3.026 -12.153 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -9.281 0.923 -13.258 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -10.695 1.007 -12.226 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -11.271 3.264 -13.160 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -9.828 3.238 -14.154 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -10.684 1.171 -15.328 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -12.133 1.218 -14.344 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -12.680 3.501 -15.252 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -11.225 3.465 -16.228 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -13.158 2.775 -17.510 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -12.067 1.482 -17.361 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -13.477 1.517 -16.415 1.00 1.00 H new ATOM 1076 N ALA A 73 -9.862 4.530 -10.833 1.00 1.00 N ATOM 1077 CA ALA A 73 -10.699 5.428 -10.046 1.00 1.00 C ATOM 1078 C ALA A 73 -12.110 5.472 -10.650 1.00 1.00 C ATOM 1079 O ALA A 73 -12.268 5.725 -11.845 1.00 1.00 O ATOM 1080 CB ALA A 73 -10.085 6.840 -10.040 1.00 1.00 C ATOM 0 H ALA A 73 -9.164 4.994 -11.414 1.00 1.00 H new ATOM 0 HA ALA A 73 -10.758 5.064 -9.020 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -10.714 7.508 -9.451 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -9.087 6.801 -9.603 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -10.019 7.212 -11.062 1.00 1.00 H new ATOM 1086 N THR A 74 -13.122 5.253 -9.816 1.00 1.00 N ATOM 1087 CA THR A 74 -14.515 5.280 -10.290 1.00 1.00 C ATOM 1088 C THR A 74 -15.478 5.302 -9.105 1.00 1.00 C ATOM 1089 O THR A 74 -15.344 4.510 -8.172 1.00 1.00 O ATOM 1090 CB THR A 74 -14.807 4.047 -11.182 1.00 1.00 C ATOM 1091 OG1 THR A 74 -16.194 4.028 -11.491 1.00 1.00 O ATOM 1092 CG2 THR A 74 -14.440 2.726 -10.465 1.00 1.00 C ATOM 0 H THR A 74 -13.014 5.057 -8.821 1.00 1.00 H new ATOM 0 HA THR A 74 -14.659 6.184 -10.881 1.00 1.00 H new ATOM 0 HB THR A 74 -14.202 4.126 -12.085 1.00 1.00 H new ATOM 0 HG1 THR A 74 -16.392 3.253 -12.057 1.00 1.00 H new ATOM 0 HG21 THR A 74 -14.658 1.883 -11.121 1.00 1.00 H new ATOM 0 HG22 THR A 74 -13.378 2.729 -10.219 1.00 1.00 H new ATOM 0 HG23 THR A 74 -15.025 2.634 -9.550 1.00 1.00 H new ATOM 1254 N GLY A 85 -12.443 12.182 -0.295 1.00 1.00 N ATOM 1255 CA GLY A 85 -13.197 11.030 0.227 1.00 1.00 C ATOM 1256 C GLY A 85 -12.652 9.729 -0.331 1.00 1.00 C ATOM 1257 O GLY A 85 -13.250 8.665 -0.164 1.00 1.00 O ATOM 0 HA2 GLY A 85 -13.140 11.016 1.315 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -14.250 11.130 -0.036 1.00 1.00 H new ATOM 1261 N VAL A 86 -11.494 9.815 -0.979 1.00 1.00 N ATOM 1262 CA VAL A 86 -10.821 8.626 -1.558 1.00 1.00 C ATOM 1263 C VAL A 86 -9.498 8.365 -0.798 1.00 1.00 C ATOM 1264 O VAL A 86 -8.428 8.531 -1.384 1.00 1.00 O ATOM 1265 CB VAL A 86 -10.546 8.864 -3.081 1.00 1.00 C ATOM 1266 CG1 VAL A 86 -10.115 7.538 -3.771 1.00 1.00 C ATOM 1267 CG2 VAL A 86 -11.826 9.401 -3.766 1.00 1.00 C ATOM 0 H VAL A 86 -10.991 10.690 -1.124 1.00 1.00 H new ATOM 0 HA VAL A 86 -11.464 7.752 -1.456 1.00 1.00 H new ATOM 0 HB VAL A 86 -9.741 9.593 -3.177 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -9.928 7.722 -4.829 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -9.206 7.163 -3.302 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -10.909 6.799 -3.666 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.630 9.565 -4.826 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.631 8.674 -3.654 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -12.120 10.342 -3.301 1.00 1.00 H new ATOM 1277 N PRO A 87 -9.556 7.955 0.439 1.00 1.00 N ATOM 1278 CA PRO A 87 -8.303 7.671 1.223 1.00 1.00 C ATOM 1279 C PRO A 87 -7.636 6.375 0.769 1.00 1.00 C ATOM 1280 O PRO A 87 -7.994 5.790 -0.254 1.00 1.00 O ATOM 1281 CB PRO A 87 -8.822 7.589 2.686 1.00 1.00 C ATOM 1282 CG PRO A 87 -10.195 7.006 2.527 1.00 1.00 C ATOM 1283 CD PRO A 87 -10.766 7.729 1.297 1.00 1.00 C ATOM 0 HA PRO A 87 -7.529 8.427 1.093 1.00 1.00 H new ATOM 0 HB2 PRO A 87 -8.185 6.957 3.305 1.00 1.00 H new ATOM 0 HB3 PRO A 87 -8.853 8.571 3.158 1.00 1.00 H new ATOM 0 HG2 PRO A 87 -10.155 5.928 2.373 1.00 1.00 H new ATOM 0 HG3 PRO A 87 -10.807 7.180 3.412 1.00 1.00 H new ATOM 0 HD2 PRO A 87 -11.515 7.124 0.786 1.00 1.00 H new ATOM 0 HD3 PRO A 87 -11.247 8.668 1.570 1.00 1.00 H new ATOM 1291 N VAL A 88 -6.655 5.933 1.550 1.00 1.00 N ATOM 1292 CA VAL A 88 -5.920 4.688 1.242 1.00 1.00 C ATOM 1293 C VAL A 88 -5.481 3.996 2.535 1.00 1.00 C ATOM 1294 O VAL A 88 -5.098 4.649 3.505 1.00 1.00 O ATOM 1295 CB VAL A 88 -4.691 5.014 0.344 1.00 1.00 C ATOM 1296 CG1 VAL A 88 -3.680 5.925 1.089 1.00 1.00 C ATOM 1297 CG2 VAL A 88 -3.973 3.715 -0.107 1.00 1.00 C ATOM 0 H VAL A 88 -6.344 6.407 2.398 1.00 1.00 H new ATOM 0 HA VAL A 88 -6.578 4.007 0.701 1.00 1.00 H new ATOM 0 HB VAL A 88 -5.064 5.541 -0.534 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -2.832 6.136 0.438 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -4.167 6.860 1.365 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -3.329 5.420 1.989 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -3.118 3.970 -0.733 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -3.630 3.166 0.770 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -4.666 3.095 -0.675 1.00 1.00 H new ATOM 1307 N TYR A 89 -5.528 2.668 2.528 1.00 1.00 N ATOM 1308 CA TYR A 89 -5.122 1.865 3.696 1.00 1.00 C ATOM 1309 C TYR A 89 -4.376 0.614 3.229 1.00 1.00 C ATOM 1310 O TYR A 89 -4.750 -0.034 2.251 1.00 1.00 O ATOM 1311 CB TYR A 89 -6.367 1.472 4.523 1.00 1.00 C ATOM 1312 CG TYR A 89 -6.994 2.736 5.139 1.00 1.00 C ATOM 1313 CD1 TYR A 89 -6.500 3.245 6.359 1.00 1.00 C ATOM 1314 CD2 TYR A 89 -8.045 3.412 4.487 1.00 1.00 C ATOM 1315 CE1 TYR A 89 -7.052 4.404 6.917 1.00 1.00 C ATOM 1316 CE2 TYR A 89 -8.590 4.576 5.050 1.00 1.00 C ATOM 1317 CZ TYR A 89 -8.093 5.069 6.260 1.00 1.00 C ATOM 1318 OH TYR A 89 -8.630 6.218 6.807 1.00 1.00 O ATOM 0 H TYR A 89 -5.842 2.116 1.730 1.00 1.00 H new ATOM 0 HA TYR A 89 -4.457 2.456 4.326 1.00 1.00 H new ATOM 0 HB2 TYR A 89 -7.094 0.965 3.888 1.00 1.00 H new ATOM 0 HB3 TYR A 89 -6.088 0.771 5.310 1.00 1.00 H new ATOM 0 HD1 TYR A 89 -5.692 2.738 6.865 1.00 1.00 H new ATOM 0 HD2 TYR A 89 -8.432 3.033 3.552 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -6.674 4.785 7.854 1.00 1.00 H new ATOM 0 HE2 TYR A 89 -9.395 5.092 4.548 1.00 1.00 H new ATOM 0 HH TYR A 89 -9.343 6.555 6.225 1.00 1.00 H new ATOM 1328 N ALA A 90 -3.324 0.271 3.966 1.00 1.00 N ATOM 1329 CA ALA A 90 -2.503 -0.904 3.642 1.00 1.00 C ATOM 1330 C ALA A 90 -1.976 -1.537 4.920 1.00 1.00 C ATOM 1331 O ALA A 90 -1.608 -0.847 5.871 1.00 1.00 O ATOM 1332 CB ALA A 90 -1.332 -0.480 2.738 1.00 1.00 C ATOM 0 H ALA A 90 -3.016 0.785 4.791 1.00 1.00 H new ATOM 0 HA ALA A 90 -3.114 -1.637 3.115 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -0.723 -1.352 2.498 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -1.722 -0.045 1.818 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -0.720 0.258 3.257 1.00 1.00 H new ATOM 1338 N VAL A 91 -1.941 -2.866 4.933 1.00 1.00 N ATOM 1339 CA VAL A 91 -1.462 -3.617 6.106 1.00 1.00 C ATOM 1340 C VAL A 91 -0.634 -4.824 5.653 1.00 1.00 C ATOM 1341 O VAL A 91 -0.934 -5.467 4.647 1.00 1.00 O ATOM 1342 CB VAL A 91 -2.673 -4.086 6.963 1.00 1.00 C ATOM 1343 CG1 VAL A 91 -2.180 -4.720 8.292 1.00 1.00 C ATOM 1344 CG2 VAL A 91 -3.594 -2.876 7.282 1.00 1.00 C ATOM 0 H VAL A 91 -2.236 -3.451 4.151 1.00 1.00 H new ATOM 0 HA VAL A 91 -0.831 -2.968 6.713 1.00 1.00 H new ATOM 0 HB VAL A 91 -3.231 -4.832 6.397 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -3.038 -5.043 8.881 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -1.546 -5.579 8.072 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -1.609 -3.983 8.857 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -4.440 -3.211 7.882 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -3.030 -2.126 7.836 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -3.959 -2.441 6.351 1.00 1.00 H new ATOM 1354 N VAL A 92 0.408 -5.126 6.421 1.00 1.00 N ATOM 1355 CA VAL A 92 1.291 -6.262 6.113 1.00 1.00 C ATOM 1356 C VAL A 92 0.734 -7.533 6.759 1.00 1.00 C ATOM 1357 O VAL A 92 0.228 -7.494 7.880 1.00 1.00 O ATOM 1358 CB VAL A 92 2.722 -5.955 6.636 1.00 1.00 C ATOM 1359 CG1 VAL A 92 2.735 -5.784 8.178 1.00 1.00 C ATOM 1360 CG2 VAL A 92 3.708 -7.084 6.233 1.00 1.00 C ATOM 0 H VAL A 92 0.667 -4.606 7.260 1.00 1.00 H new ATOM 0 HA VAL A 92 1.339 -6.417 5.035 1.00 1.00 H new ATOM 0 HB VAL A 92 3.041 -5.018 6.179 1.00 1.00 H new ATOM 0 HG11 VAL A 92 3.750 -5.570 8.512 1.00 1.00 H new ATOM 0 HG12 VAL A 92 2.080 -4.959 8.458 1.00 1.00 H new ATOM 0 HG13 VAL A 92 2.384 -6.702 8.649 1.00 1.00 H new ATOM 0 HG21 VAL A 92 4.704 -6.849 6.609 1.00 1.00 H new ATOM 0 HG22 VAL A 92 3.373 -8.029 6.660 1.00 1.00 H new ATOM 0 HG23 VAL A 92 3.741 -7.168 5.147 1.00 1.00 H new ATOM 1370 N ASP A 93 0.862 -8.656 6.060 1.00 1.00 N ATOM 1371 CA ASP A 93 0.363 -9.934 6.585 1.00 1.00 C ATOM 1372 C ASP A 93 1.211 -10.379 7.814 1.00 1.00 C ATOM 1373 O ASP A 93 2.414 -10.125 7.833 1.00 1.00 O ATOM 1374 CB ASP A 93 0.390 -11.008 5.458 1.00 1.00 C ATOM 1375 CG ASP A 93 -0.828 -10.836 4.531 1.00 1.00 C ATOM 1376 OD1 ASP A 93 -1.106 -9.707 4.161 1.00 1.00 O ATOM 1377 OD2 ASP A 93 -1.467 -11.830 4.219 1.00 1.00 O ATOM 0 H ASP A 93 1.300 -8.714 5.141 1.00 1.00 H new ATOM 0 HA ASP A 93 -0.667 -9.814 6.919 1.00 1.00 H new ATOM 0 HB2 ASP A 93 1.311 -10.918 4.882 1.00 1.00 H new ATOM 0 HB3 ASP A 93 0.385 -12.006 5.896 1.00 1.00 H new ATOM 1542 N ASN A 105 1.315 -1.712 14.883 1.00 1.00 N ATOM 1543 CA ASN A 105 2.665 -1.128 14.849 1.00 1.00 C ATOM 1544 C ASN A 105 3.200 -1.129 13.411 1.00 1.00 C ATOM 1545 O ASN A 105 4.401 -1.284 13.184 1.00 1.00 O ATOM 1546 CB ASN A 105 3.601 -1.948 15.761 1.00 1.00 C ATOM 1547 CG ASN A 105 3.109 -1.901 17.209 1.00 1.00 C ATOM 1548 OD1 ASN A 105 3.887 -1.616 18.120 1.00 1.00 O ATOM 1549 ND2 ASN A 105 1.858 -2.158 17.475 1.00 1.00 N ATOM 0 HA ASN A 105 2.623 -0.099 15.207 1.00 1.00 H new ATOM 0 HB2 ASN A 105 3.641 -2.982 15.417 1.00 1.00 H new ATOM 0 HB3 ASN A 105 4.615 -1.553 15.702 1.00 1.00 H new ATOM 0 HD21 ASN A 105 1.524 -2.123 18.438 1.00 1.00 H new ATOM 0 HD22 ASN A 105 1.214 -2.394 16.720 1.00 1.00 H new ATOM 1556 N ASN A 106 2.302 -0.937 12.450 1.00 1.00 N ATOM 1557 CA ASN A 106 2.685 -0.913 11.024 1.00 1.00 C ATOM 1558 C ASN A 106 1.499 -0.474 10.154 1.00 1.00 C ATOM 1559 O ASN A 106 1.194 -1.105 9.141 1.00 1.00 O ATOM 1560 CB ASN A 106 3.181 -2.315 10.567 1.00 1.00 C ATOM 1561 CG ASN A 106 3.737 -2.259 9.137 1.00 1.00 C ATOM 1562 OD1 ASN A 106 4.838 -1.756 8.920 1.00 1.00 O ATOM 1563 ND2 ASN A 106 3.037 -2.751 8.150 1.00 1.00 N ATOM 0 H ASN A 106 1.306 -0.795 12.621 1.00 1.00 H new ATOM 0 HA ASN A 106 3.496 -0.195 10.904 1.00 1.00 H new ATOM 0 HB2 ASN A 106 3.953 -2.672 11.248 1.00 1.00 H new ATOM 0 HB3 ASN A 106 2.359 -3.029 10.614 1.00 1.00 H new ATOM 0 HD21 ASN A 106 3.404 -2.718 7.199 1.00 1.00 H new ATOM 0 HD22 ASN A 106 2.124 -3.168 8.331 1.00 1.00 H new ATOM 1570 N VAL A 107 0.848 0.614 10.552 1.00 1.00 N ATOM 1571 CA VAL A 107 -0.314 1.158 9.802 1.00 1.00 C ATOM 1572 C VAL A 107 0.078 2.468 9.114 1.00 1.00 C ATOM 1573 O VAL A 107 0.783 3.302 9.683 1.00 1.00 O ATOM 1574 CB VAL A 107 -1.520 1.404 10.757 1.00 1.00 C ATOM 1575 CG1 VAL A 107 -2.794 1.780 9.947 1.00 1.00 C ATOM 1576 CG2 VAL A 107 -1.793 0.122 11.572 1.00 1.00 C ATOM 0 H VAL A 107 1.093 1.147 11.387 1.00 1.00 H new ATOM 0 HA VAL A 107 -0.611 0.428 9.049 1.00 1.00 H new ATOM 0 HB VAL A 107 -1.275 2.229 11.426 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -3.625 1.948 10.633 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -2.606 2.689 9.375 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -3.045 0.967 9.265 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -2.636 0.289 12.242 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -2.026 -0.698 10.893 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -0.909 -0.132 12.158 1.00 1.00 H new ATOM 1586 N PHE A 108 -0.397 2.639 7.884 1.00 1.00 N ATOM 1587 CA PHE A 108 -0.102 3.856 7.107 1.00 1.00 C ATOM 1588 C PHE A 108 -1.304 4.237 6.245 1.00 1.00 C ATOM 1589 O PHE A 108 -2.000 3.373 5.711 1.00 1.00 O ATOM 1590 CB PHE A 108 1.134 3.616 6.214 1.00 1.00 C ATOM 1591 CG PHE A 108 2.307 3.160 7.092 1.00 1.00 C ATOM 1592 CD1 PHE A 108 2.903 4.068 7.989 1.00 1.00 C ATOM 1593 CD2 PHE A 108 2.800 1.836 7.018 1.00 1.00 C ATOM 1594 CE1 PHE A 108 3.972 3.659 8.800 1.00 1.00 C ATOM 1595 CE2 PHE A 108 3.868 1.438 7.830 1.00 1.00 C ATOM 1596 CZ PHE A 108 4.451 2.346 8.721 1.00 1.00 C ATOM 0 H PHE A 108 -0.984 1.960 7.400 1.00 1.00 H new ATOM 0 HA PHE A 108 0.107 4.675 7.796 1.00 1.00 H new ATOM 0 HB2 PHE A 108 0.912 2.860 5.460 1.00 1.00 H new ATOM 0 HB3 PHE A 108 1.396 4.530 5.681 1.00 1.00 H new ATOM 0 HD1 PHE A 108 2.536 5.082 8.052 1.00 1.00 H new ATOM 0 HD2 PHE A 108 2.351 1.131 6.334 1.00 1.00 H new ATOM 0 HE1 PHE A 108 4.426 4.358 9.486 1.00 1.00 H new ATOM 0 HE2 PHE A 108 4.243 0.427 7.769 1.00 1.00 H new ATOM 0 HZ PHE A 108 5.272 2.033 9.349 1.00 1.00 H new ATOM 1606 N SER A 109 -1.526 5.539 6.103 1.00 1.00 N ATOM 1607 CA SER A 109 -2.642 6.043 5.306 1.00 1.00 C ATOM 1608 C SER A 109 -2.525 7.556 5.140 1.00 1.00 C ATOM 1609 O SER A 109 -2.216 8.283 6.084 1.00 1.00 O ATOM 1610 CB SER A 109 -3.971 5.707 5.995 1.00 1.00 C ATOM 1611 OG SER A 109 -5.035 6.371 5.322 1.00 1.00 O ATOM 0 H SER A 109 -0.950 6.265 6.528 1.00 1.00 H new ATOM 0 HA SER A 109 -2.613 5.570 4.325 1.00 1.00 H new ATOM 0 HB2 SER A 109 -4.136 4.630 5.985 1.00 1.00 H new ATOM 0 HB3 SER A 109 -3.939 6.015 7.040 1.00 1.00 H new ATOM 0 HG SER A 109 -5.533 5.724 4.780 1.00 1.00 H new ATOM 1617 N ARG A 110 -2.781 8.023 3.922 1.00 1.00 N ATOM 1618 CA ARG A 110 -2.705 9.466 3.611 1.00 1.00 C ATOM 1619 C ARG A 110 -3.909 9.897 2.787 1.00 1.00 C ATOM 1620 O ARG A 110 -4.523 9.092 2.084 1.00 1.00 O ATOM 1621 CB ARG A 110 -1.397 9.750 2.835 1.00 1.00 C ATOM 1622 CG ARG A 110 -1.389 9.007 1.475 1.00 1.00 C ATOM 1623 CD ARG A 110 -0.071 9.278 0.738 1.00 1.00 C ATOM 1624 NE ARG A 110 0.066 10.713 0.481 1.00 1.00 N ATOM 1625 CZ ARG A 110 1.145 11.229 -0.118 1.00 1.00 C ATOM 1626 NH1 ARG A 110 2.131 10.456 -0.502 1.00 1.00 N ATOM 1627 NH2 ARG A 110 1.214 12.513 -0.320 1.00 1.00 N ATOM 0 H ARG A 110 -3.043 7.435 3.131 1.00 1.00 H new ATOM 0 HA ARG A 110 -2.708 10.035 4.541 1.00 1.00 H new ATOM 0 HB2 ARG A 110 -1.293 10.822 2.669 1.00 1.00 H new ATOM 0 HB3 ARG A 110 -0.540 9.436 3.431 1.00 1.00 H new ATOM 0 HG2 ARG A 110 -1.512 7.936 1.635 1.00 1.00 H new ATOM 0 HG3 ARG A 110 -2.231 9.337 0.866 1.00 1.00 H new ATOM 0 HD2 ARG A 110 0.770 8.924 1.335 1.00 1.00 H new ATOM 0 HD3 ARG A 110 -0.049 8.727 -0.202 1.00 1.00 H new ATOM 0 HE ARG A 110 -0.686 11.340 0.768 1.00 1.00 H new ATOM 0 HH11 ARG A 110 2.081 9.449 -0.345 1.00 1.00 H new ATOM 0 HH12 ARG A 110 2.949 10.861 -0.958 1.00 1.00 H new ATOM 0 HH21 ARG A 110 0.449 13.118 -0.022 1.00 1.00 H new ATOM 0 HH22 ARG A 110 2.033 12.914 -0.776 1.00 1.00 H new ATOM 1641 N ILE A 111 -4.236 11.183 2.868 1.00 1.00 N ATOM 1642 CA ILE A 111 -5.372 11.714 2.112 1.00 1.00 C ATOM 1643 C ILE A 111 -4.940 12.045 0.670 1.00 1.00 C ATOM 1644 O ILE A 111 -4.012 12.824 0.454 1.00 1.00 O ATOM 1645 CB ILE A 111 -5.916 12.983 2.824 1.00 1.00 C ATOM 1646 CG1 ILE A 111 -6.084 12.727 4.362 1.00 1.00 C ATOM 1647 CG2 ILE A 111 -7.270 13.407 2.206 1.00 1.00 C ATOM 1648 CD1 ILE A 111 -6.923 11.464 4.659 1.00 1.00 C ATOM 0 H ILE A 111 -3.742 11.869 3.438 1.00 1.00 H new ATOM 0 HA ILE A 111 -6.163 10.965 2.068 1.00 1.00 H new ATOM 0 HB ILE A 111 -5.195 13.789 2.684 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -5.100 12.623 4.820 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -6.560 13.593 4.822 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -7.639 14.297 2.715 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -7.134 13.624 1.147 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -7.992 12.598 2.321 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -7.010 11.330 5.737 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -7.917 11.577 4.226 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -6.435 10.592 4.224 1.00 1.00 H new ATOM 1660 N VAL A 112 -5.623 11.446 -0.299 1.00 1.00 N ATOM 1661 CA VAL A 112 -5.308 11.672 -1.727 1.00 1.00 C ATOM 1662 C VAL A 112 -6.143 12.835 -2.271 1.00 1.00 C ATOM 1663 O VAL A 112 -7.334 12.678 -2.540 1.00 1.00 O ATOM 1664 CB VAL A 112 -5.591 10.376 -2.542 1.00 1.00 C ATOM 1665 CG1 VAL A 112 -5.034 10.508 -3.986 1.00 1.00 C ATOM 1666 CG2 VAL A 112 -4.912 9.177 -1.836 1.00 1.00 C ATOM 0 H VAL A 112 -6.396 10.801 -0.135 1.00 1.00 H new ATOM 0 HA VAL A 112 -4.252 11.926 -1.824 1.00 1.00 H new ATOM 0 HB VAL A 112 -6.668 10.219 -2.597 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -5.241 9.593 -4.541 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -5.512 11.351 -4.485 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -3.957 10.673 -3.947 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -5.106 8.265 -2.401 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -3.837 9.348 -1.781 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -5.315 9.072 -0.829 1.00 1.00 H new ATOM 1676 N LYS A 113 -5.509 13.992 -2.436 1.00 1.00 N ATOM 1677 CA LYS A 113 -6.198 15.183 -2.950 1.00 1.00 C ATOM 1678 C LYS A 113 -6.127 15.198 -4.479 1.00 1.00 C ATOM 1679 O LYS A 113 -5.100 15.543 -5.062 1.00 1.00 O ATOM 1680 CB LYS A 113 -5.528 16.452 -2.375 1.00 1.00 C ATOM 1681 CG LYS A 113 -5.650 16.454 -0.833 1.00 1.00 C ATOM 1682 CD LYS A 113 -5.020 17.735 -0.246 1.00 1.00 C ATOM 1683 CE LYS A 113 -5.139 17.740 1.289 1.00 1.00 C ATOM 1684 NZ LYS A 113 -4.536 18.995 1.823 1.00 1.00 N ATOM 0 H LYS A 113 -4.522 14.135 -2.223 1.00 1.00 H new ATOM 0 HA LYS A 113 -7.244 15.161 -2.645 1.00 1.00 H new ATOM 0 HB2 LYS A 113 -4.478 16.484 -2.666 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -6.001 17.343 -2.788 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -6.699 16.392 -0.545 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -5.154 15.575 -0.421 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -3.971 17.797 -0.535 1.00 1.00 H new ATOM 0 HD3 LYS A 113 -5.517 18.613 -0.658 1.00 1.00 H new ATOM 0 HE2 LYS A 113 -6.186 17.671 1.585 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -4.631 16.871 1.708 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 -4.614 19.004 2.860 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -3.533 19.042 1.551 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 -5.040 19.816 1.431 1.00 1.00 H new ATOM 1698 N VAL A 114 -7.233 14.829 -5.117 1.00 1.00 N ATOM 1699 CA VAL A 114 -7.315 14.795 -6.594 1.00 1.00 C ATOM 1700 C VAL A 114 -8.175 15.962 -7.094 1.00 1.00 C ATOM 1701 O VAL A 114 -9.306 16.160 -6.650 1.00 1.00 O ATOM 1702 CB VAL A 114 -7.914 13.431 -7.052 1.00 1.00 C ATOM 1703 CG1 VAL A 114 -9.390 13.260 -6.573 1.00 1.00 C ATOM 1704 CG2 VAL A 114 -7.861 13.297 -8.598 1.00 1.00 C ATOM 0 H VAL A 114 -8.092 14.547 -4.644 1.00 1.00 H new ATOM 0 HA VAL A 114 -6.316 14.897 -7.019 1.00 1.00 H new ATOM 0 HB VAL A 114 -7.307 12.648 -6.597 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -9.773 12.297 -6.911 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -9.427 13.303 -5.484 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -10.002 14.060 -6.988 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -8.284 12.337 -8.895 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -8.436 14.104 -9.053 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -6.825 13.356 -8.933 1.00 1.00 H new ATOM 1714 N LEU A 115 -7.622 16.724 -8.031 1.00 1.00 N ATOM 1715 CA LEU A 115 -8.333 17.878 -8.605 1.00 1.00 C ATOM 1716 C LEU A 115 -9.148 17.415 -9.809 1.00 1.00 C ATOM 1717 O LEU A 115 -9.108 16.251 -10.209 1.00 1.00 O ATOM 1718 CB LEU A 115 -7.307 18.981 -9.009 1.00 1.00 C ATOM 1719 CG LEU A 115 -6.856 19.818 -7.770 1.00 1.00 C ATOM 1720 CD1 LEU A 115 -6.230 18.902 -6.685 1.00 1.00 C ATOM 1721 CD2 LEU A 115 -5.832 20.889 -8.208 1.00 1.00 C ATOM 0 H LEU A 115 -6.689 16.571 -8.413 1.00 1.00 H new ATOM 0 HA LEU A 115 -9.013 18.304 -7.867 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -6.437 18.518 -9.474 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -7.753 19.641 -9.753 1.00 1.00 H new ATOM 0 HG LEU A 115 -7.733 20.306 -7.344 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -5.923 19.506 -5.831 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -6.966 18.165 -6.362 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -5.361 18.390 -7.098 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -5.520 21.471 -7.340 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -4.963 20.402 -8.650 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -6.290 21.551 -8.943 1.00 1.00 H new