USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 701 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 14 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.1) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 21 LYS NZ :NH3+ -111:sc= -0.113 (180deg=-0.499) USER MOD Single : A 22 LYS NZ :NH3+ 153:sc= 1.21 (180deg=1.11) USER MOD Single : A 24 LYS NZ :NH3+ -127:sc= 0.672 (180deg=0.0202) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.16) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -75:sc= 0.0931 USER MOD Single : A 46 SER OG : rot -10:sc= 1.29 USER MOD Single : A 47 MET CE :methyl 175:sc= -0.911 (180deg=-0.962) USER MOD Single : A 53 THR OG1 : rot 91:sc= 1.32 USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0179) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -172:sc= 1.06 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 71 ASN : amide:sc= 1.15 K(o=1.1,f=-0.51) USER MOD Single : A 76 MET CE :methyl -162:sc= -2.19 (180deg=-3.08) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -174:sc= -0.13 (180deg=-0.256) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 89 THR OG1 : rot 83:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -10.263 11.443 0.367 1.00 1.00 N ATOM 28 CA ARG A 3 -10.503 10.240 -0.438 1.00 1.00 C ATOM 29 C ARG A 3 -9.298 9.362 -0.695 1.00 1.00 C ATOM 30 O ARG A 3 -9.382 8.166 -0.473 1.00 1.00 O ATOM 31 CB ARG A 3 -11.177 10.653 -1.748 1.00 1.00 C ATOM 32 CG ARG A 3 -12.688 10.753 -1.560 1.00 1.00 C ATOM 33 CD ARG A 3 -13.369 9.460 -1.997 1.00 1.00 C ATOM 34 NE ARG A 3 -14.767 9.377 -1.568 1.00 1.00 N ATOM 35 CZ ARG A 3 -15.797 10.040 -2.096 1.00 1.00 C ATOM 36 NH1 ARG A 3 -15.601 10.896 -3.092 1.00 1.00 N ATOM 37 NH2 ARG A 3 -17.017 9.837 -1.627 1.00 1.00 N ATOM 0 HA ARG A 3 -11.154 9.602 0.160 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.781 11.612 -2.081 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -10.948 9.926 -2.527 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.917 10.956 -0.514 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.078 11.590 -2.140 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -13.323 9.380 -3.083 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -12.819 8.611 -1.591 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.973 8.751 -0.789 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -14.660 11.048 -3.456 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -16.391 11.401 -3.493 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -17.167 9.176 -0.865 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -17.808 10.342 -2.027 1.00 1.00 H new ATOM 51 N ALA A 4 -8.197 9.931 -1.169 1.00 1.00 N ATOM 52 CA ALA A 4 -6.998 9.132 -1.450 1.00 1.00 C ATOM 53 C ALA A 4 -6.518 8.425 -0.186 1.00 1.00 C ATOM 54 O ALA A 4 -6.324 7.209 -0.154 1.00 1.00 O ATOM 55 CB ALA A 4 -5.894 10.018 -2.043 1.00 1.00 C ATOM 0 H ALA A 4 -8.103 10.927 -1.367 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.250 8.368 -2.185 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.011 9.412 -2.246 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.247 10.467 -2.971 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.638 10.805 -1.333 1.00 1.00 H new ATOM 61 N ARG A 5 -6.322 9.213 0.866 1.00 1.00 N ATOM 62 CA ARG A 5 -5.834 8.720 2.137 1.00 1.00 C ATOM 63 C ARG A 5 -6.858 7.775 2.746 1.00 1.00 C ATOM 64 O ARG A 5 -6.492 6.712 3.221 1.00 1.00 O ATOM 65 CB ARG A 5 -5.529 9.903 3.066 1.00 1.00 C ATOM 66 CG ARG A 5 -4.548 10.903 2.437 1.00 1.00 C ATOM 67 CD ARG A 5 -3.575 11.405 3.517 1.00 1.00 C ATOM 68 NE ARG A 5 -2.707 12.484 3.028 1.00 1.00 N ATOM 69 CZ ARG A 5 -1.713 13.059 3.716 1.00 1.00 C ATOM 70 NH1 ARG A 5 -1.412 12.671 4.949 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.007 14.033 3.158 1.00 1.00 N ATOM 0 H ARG A 5 -6.500 10.217 0.855 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.909 8.162 1.991 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.458 10.416 3.313 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.113 9.529 4.001 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -3.996 10.428 1.626 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.093 11.742 2.003 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.142 11.760 4.377 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.959 10.575 3.862 1.00 1.00 H new ATOM 0 HE ARG A 5 -2.876 12.825 2.082 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -1.942 11.920 5.391 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -0.650 13.124 5.454 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -1.223 14.340 2.210 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -0.248 14.475 3.677 1.00 1.00 H new ATOM 85 N ASP A 6 -8.133 8.134 2.703 1.00 1.00 N ATOM 86 CA ASP A 6 -9.220 7.397 3.324 1.00 1.00 C ATOM 87 C ASP A 6 -9.373 6.039 2.641 1.00 1.00 C ATOM 88 O ASP A 6 -9.601 5.041 3.314 1.00 1.00 O ATOM 89 CB ASP A 6 -10.525 8.204 3.238 1.00 1.00 C ATOM 90 CG ASP A 6 -10.507 9.553 3.965 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.539 9.867 4.701 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.437 10.354 3.710 1.00 1.00 O ATOM 0 H ASP A 6 -8.448 8.974 2.218 1.00 1.00 H new ATOM 0 HA ASP A 6 -8.992 7.234 4.377 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.757 8.379 2.187 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.335 7.600 3.647 1.00 1.00 H new ATOM 97 N ALA A 7 -9.188 5.981 1.320 1.00 1.00 N ATOM 98 CA ALA A 7 -9.207 4.753 0.548 1.00 1.00 C ATOM 99 C ALA A 7 -8.019 3.857 0.905 1.00 1.00 C ATOM 100 O ALA A 7 -8.205 2.654 1.085 1.00 1.00 O ATOM 101 CB ALA A 7 -9.220 5.095 -0.944 1.00 1.00 C ATOM 0 H ALA A 7 -9.017 6.810 0.751 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.110 4.193 0.790 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.234 4.175 -1.528 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.107 5.685 -1.174 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.328 5.669 -1.193 1.00 1.00 H new ATOM 107 N ILE A 8 -6.800 4.408 0.999 1.00 1.00 N ATOM 108 CA ILE A 8 -5.634 3.619 1.417 1.00 1.00 C ATOM 109 C ILE A 8 -5.870 3.117 2.847 1.00 1.00 C ATOM 110 O ILE A 8 -5.654 1.938 3.113 1.00 1.00 O ATOM 111 CB ILE A 8 -4.317 4.414 1.242 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.125 4.806 -0.246 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.078 3.644 1.726 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.277 6.067 -0.409 1.00 1.00 C ATOM 0 H ILE A 8 -6.598 5.386 0.793 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.517 2.747 0.773 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.410 5.305 1.864 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.652 3.981 -0.778 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.100 4.965 -0.706 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.188 4.255 1.576 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.185 3.412 2.786 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -2.981 2.718 1.160 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.172 6.300 -1.469 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.762 6.900 0.099 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.291 5.901 0.026 1.00 1.00 H new ATOM 126 N LEU A 9 -6.373 3.970 3.742 1.00 1.00 N ATOM 127 CA LEU A 9 -6.712 3.614 5.112 1.00 1.00 C ATOM 128 C LEU A 9 -7.682 2.438 5.099 1.00 1.00 C ATOM 129 O LEU A 9 -7.402 1.428 5.733 1.00 1.00 O ATOM 130 CB LEU A 9 -7.264 4.852 5.845 1.00 1.00 C ATOM 131 CG LEU A 9 -7.581 4.713 7.347 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.932 4.041 7.624 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.455 4.025 8.124 1.00 1.00 C ATOM 0 H LEU A 9 -6.558 4.949 3.524 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.828 3.293 5.662 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.542 5.661 5.728 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.177 5.163 5.337 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.658 5.736 7.715 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -9.092 3.975 8.700 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.731 4.631 7.174 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.935 3.039 7.195 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.730 3.953 9.176 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.294 3.025 7.722 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.538 4.607 8.028 1.00 1.00 H new ATOM 145 N ASP A 10 -8.778 2.538 4.344 1.00 1.00 N ATOM 146 CA ASP A 10 -9.751 1.459 4.156 1.00 1.00 C ATOM 147 C ASP A 10 -9.105 0.174 3.655 1.00 1.00 C ATOM 148 O ASP A 10 -9.487 -0.913 4.099 1.00 1.00 O ATOM 149 CB ASP A 10 -10.892 1.851 3.196 1.00 1.00 C ATOM 150 CG ASP A 10 -11.986 2.666 3.868 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.539 2.169 4.873 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.379 3.748 3.371 1.00 1.00 O ATOM 0 H ASP A 10 -9.019 3.389 3.836 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.170 1.282 5.147 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.479 2.424 2.366 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.329 0.947 2.773 1.00 1.00 H new ATOM 157 N ALA A 11 -8.174 0.253 2.701 1.00 1.00 N ATOM 158 CA ALA A 11 -7.464 -0.917 2.204 1.00 1.00 C ATOM 159 C ALA A 11 -6.731 -1.593 3.353 1.00 1.00 C ATOM 160 O ALA A 11 -7.016 -2.747 3.669 1.00 1.00 O ATOM 161 CB ALA A 11 -6.522 -0.572 1.047 1.00 1.00 C ATOM 0 H ALA A 11 -7.896 1.128 2.256 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.193 -1.617 1.796 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.014 -1.476 0.709 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.097 -0.149 0.223 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -5.783 0.155 1.384 1.00 1.00 H new ATOM 167 N LEU A 12 -5.805 -0.863 3.970 1.00 1.00 N ATOM 168 CA LEU A 12 -4.940 -1.371 5.020 1.00 1.00 C ATOM 169 C LEU A 12 -5.742 -1.872 6.218 1.00 1.00 C ATOM 170 O LEU A 12 -5.420 -2.923 6.763 1.00 1.00 O ATOM 171 CB LEU A 12 -3.923 -0.314 5.457 1.00 1.00 C ATOM 172 CG LEU A 12 -2.664 -0.129 4.626 1.00 1.00 C ATOM 173 CD1 LEU A 12 -1.732 -1.339 4.730 1.00 1.00 C ATOM 174 CD2 LEU A 12 -2.964 0.185 3.178 1.00 1.00 C ATOM 0 H LEU A 12 -5.635 0.118 3.746 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.396 -2.220 4.606 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.439 0.646 5.495 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.616 -0.551 6.475 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.151 0.736 5.047 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -0.844 -1.167 4.122 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.438 -1.483 5.770 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.250 -2.229 4.373 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.029 0.307 2.631 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.537 -0.632 2.740 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.543 1.107 3.118 1.00 1.00 H new ATOM 186 N GLU A 13 -6.776 -1.142 6.629 1.00 1.00 N ATOM 187 CA GLU A 13 -7.642 -1.526 7.731 1.00 1.00 C ATOM 188 C GLU A 13 -8.388 -2.818 7.457 1.00 1.00 C ATOM 189 O GLU A 13 -8.496 -3.645 8.364 1.00 1.00 O ATOM 190 CB GLU A 13 -8.622 -0.407 8.116 1.00 1.00 C ATOM 191 CG GLU A 13 -7.954 0.634 9.021 1.00 1.00 C ATOM 192 CD GLU A 13 -7.716 0.022 10.399 1.00 1.00 C ATOM 193 OE1 GLU A 13 -8.679 -0.071 11.191 1.00 1.00 O ATOM 194 OE2 GLU A 13 -6.612 -0.495 10.677 1.00 1.00 O ATOM 0 H GLU A 13 -7.036 -0.255 6.197 1.00 1.00 H new ATOM 0 HA GLU A 13 -6.983 -1.700 8.581 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -8.995 0.078 7.214 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.484 -0.836 8.627 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.009 0.959 8.586 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.586 1.518 9.107 1.00 1.00 H new ATOM 201 N ASN A 14 -8.935 -2.986 6.249 1.00 1.00 N ATOM 202 CA ASN A 14 -9.633 -4.204 5.887 1.00 1.00 C ATOM 203 C ASN A 14 -8.674 -5.365 5.615 1.00 1.00 C ATOM 204 O ASN A 14 -9.136 -6.507 5.491 1.00 1.00 O ATOM 205 CB ASN A 14 -10.539 -3.929 4.684 1.00 1.00 C ATOM 206 CG ASN A 14 -11.772 -3.108 5.061 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.271 -3.184 6.180 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.322 -2.315 4.157 1.00 1.00 N ATOM 0 H ASN A 14 -8.903 -2.285 5.509 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.246 -4.514 6.734 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.972 -3.398 3.919 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.856 -4.876 4.247 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.154 -1.773 4.392 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.915 -2.245 3.224 1.00 1.00 H new ATOM 215 N LEU A 15 -7.356 -5.145 5.574 1.00 1.00 N ATOM 216 CA LEU A 15 -6.416 -6.231 5.427 1.00 1.00 C ATOM 217 C LEU A 15 -6.179 -6.824 6.808 1.00 1.00 C ATOM 218 O LEU A 15 -6.170 -6.151 7.839 1.00 1.00 O ATOM 219 CB LEU A 15 -5.073 -5.756 4.851 1.00 1.00 C ATOM 220 CG LEU A 15 -4.980 -5.466 3.340 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.514 -5.528 2.880 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.811 -6.442 2.506 1.00 1.00 C ATOM 0 H LEU A 15 -6.929 -4.221 5.641 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.829 -6.964 4.734 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.789 -4.847 5.381 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.325 -6.512 5.090 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.384 -4.466 3.183 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.459 -5.322 1.811 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -2.930 -4.785 3.423 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.112 -6.521 3.079 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.711 -6.194 1.449 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.456 -7.459 2.675 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.859 -6.370 2.798 1.00 1.00 H new ATOM 234 N THR A 16 -5.947 -8.125 6.802 1.00 1.00 N ATOM 235 CA THR A 16 -5.718 -8.939 7.979 1.00 1.00 C ATOM 236 C THR A 16 -4.211 -9.019 8.204 1.00 1.00 C ATOM 237 O THR A 16 -3.440 -8.675 7.312 1.00 1.00 O ATOM 238 CB THR A 16 -6.354 -10.315 7.720 1.00 1.00 C ATOM 239 OG1 THR A 16 -6.168 -10.758 6.380 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.853 -10.295 8.003 1.00 1.00 C ATOM 0 H THR A 16 -5.912 -8.665 5.937 1.00 1.00 H new ATOM 0 HA THR A 16 -6.168 -8.522 8.880 1.00 1.00 H new ATOM 0 HB THR A 16 -5.848 -11.003 8.397 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.587 -11.636 6.265 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.273 -11.282 7.810 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.023 -10.025 9.045 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.336 -9.563 7.356 1.00 1.00 H new ATOM 248 N ALA A 17 -3.756 -9.488 9.368 1.00 1.00 N ATOM 249 CA ALA A 17 -2.331 -9.496 9.693 1.00 1.00 C ATOM 250 C ALA A 17 -1.508 -10.361 8.719 1.00 1.00 C ATOM 251 O ALA A 17 -0.311 -10.138 8.555 1.00 1.00 O ATOM 252 CB ALA A 17 -2.148 -9.954 11.141 1.00 1.00 C ATOM 0 H ALA A 17 -4.356 -9.867 10.101 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.950 -8.481 9.584 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.087 -9.962 11.389 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.671 -9.269 11.808 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.556 -10.958 11.259 1.00 1.00 H new ATOM 258 N GLU A 18 -2.135 -11.350 8.076 1.00 1.00 N ATOM 259 CA GLU A 18 -1.509 -12.202 7.067 1.00 1.00 C ATOM 260 C GLU A 18 -1.238 -11.341 5.820 1.00 1.00 C ATOM 261 O GLU A 18 -0.087 -11.129 5.437 1.00 1.00 O ATOM 262 CB GLU A 18 -2.453 -13.396 6.818 1.00 1.00 C ATOM 263 CG GLU A 18 -1.806 -14.648 6.211 1.00 1.00 C ATOM 264 CD GLU A 18 -1.206 -14.479 4.822 1.00 1.00 C ATOM 265 OE1 GLU A 18 -1.924 -14.711 3.827 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.014 -14.231 4.734 1.00 1.00 O ATOM 0 H GLU A 18 -3.113 -11.584 8.248 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.548 -12.611 7.379 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.915 -13.673 7.766 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.255 -13.068 6.156 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.021 -14.991 6.885 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.557 -15.437 6.168 1.00 1.00 H new ATOM 273 N GLU A 19 -2.291 -10.759 5.239 1.00 1.00 N ATOM 274 CA GLU A 19 -2.168 -9.878 4.084 1.00 1.00 C ATOM 275 C GLU A 19 -1.263 -8.685 4.413 1.00 1.00 C ATOM 276 O GLU A 19 -0.409 -8.329 3.614 1.00 1.00 O ATOM 277 CB GLU A 19 -3.554 -9.397 3.622 1.00 1.00 C ATOM 278 CG GLU A 19 -4.471 -10.515 3.096 1.00 1.00 C ATOM 279 CD GLU A 19 -3.932 -11.244 1.857 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.167 -10.663 1.057 1.00 1.00 O ATOM 281 OE2 GLU A 19 -4.269 -12.432 1.665 1.00 1.00 O ATOM 0 H GLU A 19 -3.251 -10.888 5.559 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.712 -10.440 3.269 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.049 -8.900 4.456 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.424 -8.651 2.838 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.629 -11.243 3.891 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.445 -10.088 2.857 1.00 1.00 H new ATOM 288 N LEU A 20 -1.382 -8.073 5.592 1.00 1.00 N ATOM 289 CA LEU A 20 -0.542 -6.945 5.973 1.00 1.00 C ATOM 290 C LEU A 20 0.921 -7.346 6.041 1.00 1.00 C ATOM 291 O LEU A 20 1.760 -6.578 5.572 1.00 1.00 O ATOM 292 CB LEU A 20 -1.007 -6.295 7.286 1.00 1.00 C ATOM 293 CG LEU A 20 -2.231 -5.374 7.131 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.483 -4.605 8.421 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.033 -4.309 6.051 1.00 1.00 C ATOM 0 H LEU A 20 -2.060 -8.346 6.303 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.645 -6.191 5.192 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.245 -7.080 8.004 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.183 -5.719 7.706 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.059 -6.032 6.867 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.351 -3.958 8.295 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.668 -5.308 9.233 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.610 -3.998 8.659 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.926 -3.688 5.984 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.176 -3.686 6.307 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.855 -4.793 5.091 1.00 1.00 H new ATOM 307 N LYS A 21 1.257 -8.524 6.575 1.00 1.00 N ATOM 308 CA LYS A 21 2.638 -9.003 6.555 1.00 1.00 C ATOM 309 C LYS A 21 3.138 -9.016 5.116 1.00 1.00 C ATOM 310 O LYS A 21 4.202 -8.463 4.813 1.00 1.00 O ATOM 311 CB LYS A 21 2.682 -10.426 7.116 1.00 1.00 C ATOM 312 CG LYS A 21 4.125 -10.950 7.184 1.00 1.00 C ATOM 313 CD LYS A 21 4.221 -12.268 7.957 1.00 1.00 C ATOM 314 CE LYS A 21 5.626 -12.881 7.890 1.00 1.00 C ATOM 315 NZ LYS A 21 5.979 -13.320 6.526 1.00 1.00 N ATOM 0 H LYS A 21 0.595 -9.158 7.023 1.00 1.00 H new ATOM 0 HA LYS A 21 3.267 -8.349 7.159 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.239 -10.441 8.112 1.00 1.00 H new ATOM 0 HB3 LYS A 21 2.081 -11.086 6.490 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.506 -11.094 6.173 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.760 -10.203 7.661 1.00 1.00 H new ATOM 0 HD2 LYS A 21 3.951 -12.096 8.999 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.498 -12.977 7.553 1.00 1.00 H new ATOM 0 HE2 LYS A 21 6.357 -12.149 8.235 1.00 1.00 H new ATOM 0 HE3 LYS A 21 5.682 -13.732 8.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 6.023 -14.359 6.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 5.258 -12.984 5.856 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 6.905 -12.927 6.264 1.00 1.00 H new ATOM 329 N LYS A 22 2.370 -9.684 4.249 1.00 1.00 N ATOM 330 CA LYS A 22 2.691 -9.858 2.846 1.00 1.00 C ATOM 331 C LYS A 22 2.861 -8.482 2.197 1.00 1.00 C ATOM 332 O LYS A 22 3.888 -8.264 1.567 1.00 1.00 O ATOM 333 CB LYS A 22 1.605 -10.739 2.198 1.00 1.00 C ATOM 334 CG LYS A 22 1.599 -12.201 2.679 1.00 1.00 C ATOM 335 CD LYS A 22 2.515 -13.107 1.847 1.00 1.00 C ATOM 336 CE LYS A 22 2.591 -14.530 2.414 1.00 1.00 C ATOM 337 NZ LYS A 22 1.285 -15.212 2.483 1.00 1.00 N ATOM 0 H LYS A 22 1.491 -10.125 4.518 1.00 1.00 H new ATOM 0 HA LYS A 22 3.638 -10.378 2.703 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.629 -10.299 2.401 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.742 -10.726 1.117 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.912 -12.236 3.722 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.581 -12.587 2.639 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.150 -13.146 0.821 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.516 -12.677 1.814 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.268 -15.122 1.797 1.00 1.00 H new ATOM 0 HE3 LYS A 22 3.023 -14.491 3.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.427 -16.241 2.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 0.818 -14.978 3.383 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.687 -14.899 1.692 1.00 1.00 H new ATOM 351 N PHE A 23 1.945 -7.532 2.398 1.00 1.00 N ATOM 352 CA PHE A 23 1.986 -6.176 1.848 1.00 1.00 C ATOM 353 C PHE A 23 3.270 -5.475 2.271 1.00 1.00 C ATOM 354 O PHE A 23 4.048 -5.021 1.433 1.00 1.00 O ATOM 355 CB PHE A 23 0.761 -5.376 2.326 1.00 1.00 C ATOM 356 CG PHE A 23 0.635 -3.963 1.770 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.153 -3.755 0.462 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.946 -2.847 2.574 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.035 -2.450 -0.034 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.739 -1.548 2.076 1.00 1.00 C ATOM 361 CZ PHE A 23 0.263 -1.344 0.775 1.00 1.00 C ATOM 0 H PHE A 23 1.119 -7.694 2.974 1.00 1.00 H new ATOM 0 HA PHE A 23 1.964 -6.237 0.760 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.138 -5.932 2.062 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.791 -5.317 3.414 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -0.074 -4.604 -0.166 1.00 1.00 H new ATOM 0 HD2 PHE A 23 1.342 -2.989 3.569 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -0.408 -2.301 -1.036 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.950 -0.696 2.706 1.00 1.00 H new ATOM 0 HZ PHE A 23 0.126 -0.342 0.397 1.00 1.00 H new ATOM 371 N LYS A 24 3.506 -5.398 3.580 1.00 1.00 N ATOM 372 CA LYS A 24 4.637 -4.699 4.160 1.00 1.00 C ATOM 373 C LYS A 24 5.965 -5.282 3.653 1.00 1.00 C ATOM 374 O LYS A 24 6.933 -4.541 3.507 1.00 1.00 O ATOM 375 CB LYS A 24 4.488 -4.731 5.687 1.00 1.00 C ATOM 376 CG LYS A 24 3.273 -3.944 6.247 1.00 1.00 C ATOM 377 CD LYS A 24 2.968 -4.349 7.702 1.00 1.00 C ATOM 378 CE LYS A 24 1.629 -3.837 8.254 1.00 1.00 C ATOM 379 NZ LYS A 24 1.687 -2.488 8.848 1.00 1.00 N ATOM 0 H LYS A 24 2.899 -5.831 4.276 1.00 1.00 H new ATOM 0 HA LYS A 24 4.652 -3.655 3.846 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.407 -5.770 6.007 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.398 -4.330 6.134 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.477 -2.874 6.200 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.398 -4.130 5.624 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.979 -5.437 7.770 1.00 1.00 H new ATOM 0 HD3 LYS A 24 3.771 -3.982 8.341 1.00 1.00 H new ATOM 0 HE2 LYS A 24 0.896 -3.834 7.448 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.270 -4.537 9.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.292 -2.515 9.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.676 -2.169 8.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 1.134 -1.828 8.265 1.00 1.00 H new ATOM 393 N LEU A 25 6.051 -6.587 3.378 1.00 1.00 N ATOM 394 CA LEU A 25 7.238 -7.196 2.784 1.00 1.00 C ATOM 395 C LEU A 25 7.284 -6.915 1.288 1.00 1.00 C ATOM 396 O LEU A 25 8.357 -6.561 0.809 1.00 1.00 O ATOM 397 CB LEU A 25 7.212 -8.726 2.969 1.00 1.00 C ATOM 398 CG LEU A 25 7.607 -9.226 4.366 1.00 1.00 C ATOM 399 CD1 LEU A 25 7.035 -10.616 4.639 1.00 1.00 C ATOM 400 CD2 LEU A 25 9.128 -9.317 4.503 1.00 1.00 C ATOM 0 H LEU A 25 5.297 -7.249 3.562 1.00 1.00 H new ATOM 0 HA LEU A 25 8.110 -6.770 3.281 1.00 1.00 H new ATOM 0 HB2 LEU A 25 6.208 -9.085 2.743 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.884 -9.175 2.237 1.00 1.00 H new ATOM 0 HG LEU A 25 7.203 -8.509 5.081 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.332 -10.942 5.636 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.947 -10.580 4.578 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.417 -11.319 3.898 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.383 -9.673 5.501 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.519 -10.011 3.759 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.567 -8.332 4.347 1.00 1.00 H new ATOM 412 N LYS A 26 6.187 -7.080 0.540 1.00 1.00 N ATOM 413 CA LYS A 26 6.116 -6.846 -0.907 1.00 1.00 C ATOM 414 C LYS A 26 6.589 -5.437 -1.234 1.00 1.00 C ATOM 415 O LYS A 26 7.393 -5.261 -2.154 1.00 1.00 O ATOM 416 CB LYS A 26 4.680 -7.029 -1.419 1.00 1.00 C ATOM 417 CG LYS A 26 4.204 -8.483 -1.521 1.00 1.00 C ATOM 418 CD LYS A 26 4.537 -9.110 -2.877 1.00 1.00 C ATOM 419 CE LYS A 26 3.809 -10.448 -2.983 1.00 1.00 C ATOM 420 NZ LYS A 26 4.072 -11.101 -4.275 1.00 1.00 N ATOM 0 H LYS A 26 5.299 -7.389 0.936 1.00 1.00 H new ATOM 0 HA LYS A 26 6.763 -7.573 -1.398 1.00 1.00 H new ATOM 0 HB2 LYS A 26 4.004 -6.488 -0.758 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.601 -6.568 -2.403 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.667 -9.071 -0.728 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.127 -8.522 -1.360 1.00 1.00 H new ATOM 0 HD2 LYS A 26 4.231 -8.447 -3.686 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.613 -9.255 -2.973 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.127 -11.102 -2.171 1.00 1.00 H new ATOM 0 HE3 LYS A 26 2.737 -10.291 -2.864 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.473 -11.946 -4.365 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 3.857 -10.440 -5.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 5.073 -11.379 -4.326 1.00 1.00 H new ATOM 434 N LEU A 27 6.147 -4.455 -0.438 1.00 1.00 N ATOM 435 CA LEU A 27 6.564 -3.063 -0.531 1.00 1.00 C ATOM 436 C LEU A 27 8.074 -2.918 -0.573 1.00 1.00 C ATOM 437 O LEU A 27 8.567 -1.996 -1.225 1.00 1.00 O ATOM 438 CB LEU A 27 6.036 -2.248 0.662 1.00 1.00 C ATOM 439 CG LEU A 27 4.581 -1.785 0.537 1.00 1.00 C ATOM 440 CD1 LEU A 27 4.084 -1.195 1.859 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.458 -0.673 -0.501 1.00 1.00 C ATOM 0 H LEU A 27 5.470 -4.619 0.307 1.00 1.00 H new ATOM 0 HA LEU A 27 6.145 -2.684 -1.463 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.134 -2.850 1.565 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.670 -1.371 0.793 1.00 1.00 H new ATOM 0 HG LEU A 27 3.995 -2.659 0.252 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.049 -0.873 1.747 1.00 1.00 H new ATOM 0 HD12 LEU A 27 4.146 -1.952 2.641 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.703 -0.340 2.131 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.417 -0.358 -0.575 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.073 0.175 -0.200 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.796 -1.041 -1.470 1.00 1.00 H new ATOM 453 N LEU A 28 8.811 -3.833 0.055 1.00 1.00 N ATOM 454 CA LEU A 28 10.255 -3.767 0.108 1.00 1.00 C ATOM 455 C LEU A 28 10.843 -5.131 -0.261 1.00 1.00 C ATOM 456 O LEU A 28 11.768 -5.630 0.386 1.00 1.00 O ATOM 457 CB LEU A 28 10.651 -3.271 1.503 1.00 1.00 C ATOM 458 CG LEU A 28 12.077 -2.643 1.556 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.939 -3.228 2.672 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.891 -2.550 0.245 1.00 1.00 C ATOM 0 H LEU A 28 8.415 -4.639 0.539 1.00 1.00 H new ATOM 0 HA LEU A 28 10.663 -3.063 -0.618 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.924 -2.531 1.837 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.603 -4.104 2.204 1.00 1.00 H new ATOM 0 HG LEU A 28 11.825 -1.605 1.772 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.920 -2.753 2.661 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.460 -3.048 3.634 1.00 1.00 H new ATOM 0 HD13 LEU A 28 13.053 -4.301 2.519 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.858 -2.091 0.449 1.00 1.00 H new ATOM 0 HD22 LEU A 28 13.043 -3.550 -0.161 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.347 -1.943 -0.479 1.00 1.00 H new ATOM 472 N SER A 29 10.271 -5.773 -1.278 1.00 1.00 N ATOM 473 CA SER A 29 10.740 -7.026 -1.839 1.00 1.00 C ATOM 474 C SER A 29 10.981 -6.744 -3.310 1.00 1.00 C ATOM 475 O SER A 29 12.140 -6.601 -3.714 1.00 1.00 O ATOM 476 CB SER A 29 9.740 -8.151 -1.554 1.00 1.00 C ATOM 477 OG SER A 29 10.187 -9.378 -2.089 1.00 1.00 O ATOM 0 H SER A 29 9.438 -5.417 -1.747 1.00 1.00 H new ATOM 0 HA SER A 29 11.666 -7.383 -1.389 1.00 1.00 H new ATOM 0 HB2 SER A 29 9.598 -8.251 -0.478 1.00 1.00 H new ATOM 0 HB3 SER A 29 8.770 -7.896 -1.982 1.00 1.00 H new ATOM 0 HG SER A 29 9.531 -10.079 -1.892 1.00 1.00 H new ATOM 483 N VAL A 30 9.915 -6.611 -4.099 1.00 1.00 N ATOM 484 CA VAL A 30 10.044 -6.221 -5.494 1.00 1.00 C ATOM 485 C VAL A 30 10.557 -4.768 -5.461 1.00 1.00 C ATOM 486 O VAL A 30 10.181 -4.012 -4.554 1.00 1.00 O ATOM 487 CB VAL A 30 8.701 -6.452 -6.227 1.00 1.00 C ATOM 488 CG1 VAL A 30 7.484 -5.815 -5.542 1.00 1.00 C ATOM 489 CG2 VAL A 30 8.745 -6.011 -7.693 1.00 1.00 C ATOM 0 H VAL A 30 8.955 -6.768 -3.792 1.00 1.00 H new ATOM 0 HA VAL A 30 10.752 -6.817 -6.069 1.00 1.00 H new ATOM 0 HB VAL A 30 8.569 -7.533 -6.180 1.00 1.00 H new ATOM 0 HG11 VAL A 30 6.587 -6.027 -6.124 1.00 1.00 H new ATOM 0 HG12 VAL A 30 7.373 -6.229 -4.540 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.627 -4.736 -5.476 1.00 1.00 H new ATOM 0 HG21 VAL A 30 7.777 -6.196 -8.158 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.976 -4.947 -7.746 1.00 1.00 H new ATOM 0 HG23 VAL A 30 9.514 -6.576 -8.220 1.00 1.00 H new ATOM 499 N PRO A 31 11.487 -4.359 -6.337 1.00 1.00 N ATOM 500 CA PRO A 31 11.930 -2.973 -6.382 1.00 1.00 C ATOM 501 C PRO A 31 10.799 -2.088 -6.921 1.00 1.00 C ATOM 502 O PRO A 31 9.730 -2.558 -7.321 1.00 1.00 O ATOM 503 CB PRO A 31 13.160 -2.977 -7.298 1.00 1.00 C ATOM 504 CG PRO A 31 12.880 -4.140 -8.247 1.00 1.00 C ATOM 505 CD PRO A 31 12.171 -5.151 -7.349 1.00 1.00 C ATOM 0 HA PRO A 31 12.186 -2.570 -5.402 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.266 -2.035 -7.835 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.081 -3.128 -6.735 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.253 -3.835 -9.085 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.799 -4.548 -8.668 1.00 1.00 H new ATOM 0 HD2 PRO A 31 11.465 -5.755 -7.919 1.00 1.00 H new ATOM 0 HD3 PRO A 31 12.883 -5.839 -6.894 1.00 1.00 H new ATOM 513 N LEU A 32 11.038 -0.785 -6.932 1.00 1.00 N ATOM 514 CA LEU A 32 10.169 0.242 -7.492 1.00 1.00 C ATOM 515 C LEU A 32 11.097 1.164 -8.286 1.00 1.00 C ATOM 516 O LEU A 32 12.319 1.126 -8.094 1.00 1.00 O ATOM 517 CB LEU A 32 9.405 0.980 -6.374 1.00 1.00 C ATOM 518 CG LEU A 32 8.175 1.783 -6.864 1.00 1.00 C ATOM 519 CD1 LEU A 32 6.905 0.934 -6.950 1.00 1.00 C ATOM 520 CD2 LEU A 32 7.910 2.943 -5.913 1.00 1.00 C ATOM 0 H LEU A 32 11.889 -0.394 -6.529 1.00 1.00 H new ATOM 0 HA LEU A 32 9.394 -0.170 -8.139 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.077 0.251 -5.633 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.091 1.661 -5.870 1.00 1.00 H new ATOM 0 HG LEU A 32 8.413 2.137 -7.867 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.077 1.552 -7.299 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.064 0.112 -7.648 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.668 0.533 -5.965 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.044 3.507 -6.259 1.00 1.00 H new ATOM 0 HD22 LEU A 32 7.715 2.556 -4.913 1.00 1.00 H new ATOM 0 HD23 LEU A 32 8.781 3.597 -5.885 1.00 1.00 H new ATOM 532 N ARG A 33 10.519 2.050 -9.089 1.00 1.00 N ATOM 533 CA ARG A 33 11.239 2.924 -9.999 1.00 1.00 C ATOM 534 C ARG A 33 11.962 4.050 -9.265 1.00 1.00 C ATOM 535 O ARG A 33 11.856 4.201 -8.044 1.00 1.00 O ATOM 536 CB ARG A 33 10.240 3.505 -11.020 1.00 1.00 C ATOM 537 CG ARG A 33 9.470 2.412 -11.775 1.00 1.00 C ATOM 538 CD ARG A 33 8.972 2.911 -13.133 1.00 1.00 C ATOM 539 NE ARG A 33 8.236 1.853 -13.836 1.00 1.00 N ATOM 540 CZ ARG A 33 8.674 1.076 -14.834 1.00 1.00 C ATOM 541 NH1 ARG A 33 9.851 1.277 -15.422 1.00 1.00 N ATOM 542 NH2 ARG A 33 7.910 0.078 -15.249 1.00 1.00 N ATOM 0 H ARG A 33 9.508 2.181 -9.124 1.00 1.00 H new ATOM 0 HA ARG A 33 12.004 2.338 -10.508 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.532 4.153 -10.503 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.777 4.127 -11.736 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.115 1.545 -11.919 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.622 2.082 -11.174 1.00 1.00 H new ATOM 0 HD2 ARG A 33 8.327 3.778 -12.993 1.00 1.00 H new ATOM 0 HD3 ARG A 33 9.818 3.237 -13.739 1.00 1.00 H new ATOM 0 HE ARG A 33 7.277 1.691 -13.527 1.00 1.00 H new ATOM 0 HH11 ARG A 33 10.451 2.043 -15.115 1.00 1.00 H new ATOM 0 HH12 ARG A 33 10.154 0.665 -16.180 1.00 1.00 H new ATOM 0 HH21 ARG A 33 7.005 -0.088 -14.810 1.00 1.00 H new ATOM 0 HH22 ARG A 33 8.227 -0.525 -16.008 1.00 1.00 H new ATOM 556 N GLU A 34 12.702 4.832 -10.042 1.00 1.00 N ATOM 557 CA GLU A 34 13.400 6.030 -9.611 1.00 1.00 C ATOM 558 C GLU A 34 12.376 7.172 -9.634 1.00 1.00 C ATOM 559 O GLU A 34 11.284 7.030 -10.195 1.00 1.00 O ATOM 560 CB GLU A 34 14.544 6.266 -10.606 1.00 1.00 C ATOM 561 CG GLU A 34 15.563 7.318 -10.150 1.00 1.00 C ATOM 562 CD GLU A 34 15.855 8.308 -11.274 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.745 8.016 -12.101 1.00 1.00 O ATOM 564 OE2 GLU A 34 15.207 9.380 -11.349 1.00 1.00 O ATOM 0 H GLU A 34 12.836 4.636 -11.034 1.00 1.00 H new ATOM 0 HA GLU A 34 13.820 5.954 -8.608 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.063 5.323 -10.777 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.122 6.575 -11.562 1.00 1.00 H new ATOM 0 HG2 GLU A 34 15.179 7.851 -9.280 1.00 1.00 H new ATOM 0 HG3 GLU A 34 16.486 6.828 -9.841 1.00 1.00 H new ATOM 571 N GLY A 35 12.698 8.299 -9.003 1.00 1.00 N ATOM 572 CA GLY A 35 11.771 9.420 -8.849 1.00 1.00 C ATOM 573 C GLY A 35 10.717 9.139 -7.768 1.00 1.00 C ATOM 574 O GLY A 35 9.878 9.993 -7.471 1.00 1.00 O ATOM 0 H GLY A 35 13.613 8.462 -8.582 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.328 10.320 -8.589 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.275 9.615 -9.800 1.00 1.00 H new ATOM 578 N TYR A 36 10.773 7.945 -7.182 1.00 1.00 N ATOM 579 CA TYR A 36 10.018 7.391 -6.088 1.00 1.00 C ATOM 580 C TYR A 36 11.020 6.540 -5.301 1.00 1.00 C ATOM 581 O TYR A 36 12.151 6.319 -5.752 1.00 1.00 O ATOM 582 CB TYR A 36 8.893 6.526 -6.662 1.00 1.00 C ATOM 583 CG TYR A 36 7.945 7.233 -7.613 1.00 1.00 C ATOM 584 CD1 TYR A 36 6.997 8.157 -7.130 1.00 1.00 C ATOM 585 CD2 TYR A 36 8.022 6.973 -8.994 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.113 8.798 -8.019 1.00 1.00 C ATOM 587 CE2 TYR A 36 7.151 7.616 -9.887 1.00 1.00 C ATOM 588 CZ TYR A 36 6.188 8.528 -9.405 1.00 1.00 C ATOM 589 OH TYR A 36 5.348 9.139 -10.287 1.00 1.00 O ATOM 0 H TYR A 36 11.447 7.259 -7.521 1.00 1.00 H new ATOM 0 HA TYR A 36 9.562 8.148 -5.449 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.339 5.680 -7.184 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.313 6.119 -5.834 1.00 1.00 H new ATOM 0 HD1 TYR A 36 6.948 8.374 -6.073 1.00 1.00 H new ATOM 0 HD2 TYR A 36 8.756 6.275 -9.369 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.379 9.495 -7.643 1.00 1.00 H new ATOM 0 HE2 TYR A 36 7.218 7.412 -10.946 1.00 1.00 H new ATOM 0 HH TYR A 36 4.457 8.737 -10.222 1.00 1.00 H new ATOM 599 N GLY A 37 10.627 6.048 -4.132 1.00 1.00 N ATOM 600 CA GLY A 37 11.482 5.235 -3.269 1.00 1.00 C ATOM 601 C GLY A 37 10.735 4.025 -2.731 1.00 1.00 C ATOM 602 O GLY A 37 9.688 3.666 -3.265 1.00 1.00 O ATOM 0 H GLY A 37 9.694 6.203 -3.750 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.358 4.905 -3.828 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.844 5.840 -2.438 1.00 1.00 H new ATOM 606 N ARG A 38 11.261 3.375 -1.691 1.00 1.00 N ATOM 607 CA ARG A 38 10.617 2.264 -0.981 1.00 1.00 C ATOM 608 C ARG A 38 10.865 2.443 0.506 1.00 1.00 C ATOM 609 O ARG A 38 11.999 2.702 0.911 1.00 1.00 O ATOM 610 CB ARG A 38 11.109 0.896 -1.478 1.00 1.00 C ATOM 611 CG ARG A 38 10.393 0.466 -2.772 1.00 1.00 C ATOM 612 CD ARG A 38 11.147 -0.648 -3.494 1.00 1.00 C ATOM 613 NE ARG A 38 12.325 -0.082 -4.178 1.00 1.00 N ATOM 614 CZ ARG A 38 13.606 -0.368 -3.929 1.00 1.00 C ATOM 615 NH1 ARG A 38 13.961 -1.428 -3.215 1.00 1.00 N ATOM 616 NH2 ARG A 38 14.541 0.436 -4.414 1.00 1.00 N ATOM 0 H ARG A 38 12.175 3.613 -1.306 1.00 1.00 H new ATOM 0 HA ARG A 38 9.546 2.282 -1.181 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.184 0.938 -1.654 1.00 1.00 H new ATOM 0 HB3 ARG A 38 10.942 0.147 -0.704 1.00 1.00 H new ATOM 0 HG2 ARG A 38 9.385 0.127 -2.534 1.00 1.00 H new ATOM 0 HG3 ARG A 38 10.293 1.326 -3.435 1.00 1.00 H new ATOM 0 HD2 ARG A 38 11.459 -1.411 -2.781 1.00 1.00 H new ATOM 0 HD3 ARG A 38 10.493 -1.135 -4.217 1.00 1.00 H new ATOM 0 HE ARG A 38 12.143 0.597 -4.917 1.00 1.00 H new ATOM 0 HH11 ARG A 38 13.247 -2.052 -2.839 1.00 1.00 H new ATOM 0 HH12 ARG A 38 14.948 -1.619 -3.042 1.00 1.00 H new ATOM 0 HH21 ARG A 38 14.276 1.253 -4.964 1.00 1.00 H new ATOM 0 HH22 ARG A 38 15.526 0.238 -4.237 1.00 1.00 H new ATOM 630 N ILE A 39 9.815 2.281 1.304 1.00 1.00 N ATOM 631 CA ILE A 39 9.851 2.446 2.752 1.00 1.00 C ATOM 632 C ILE A 39 10.366 1.096 3.286 1.00 1.00 C ATOM 633 O ILE A 39 9.898 0.055 2.818 1.00 1.00 O ATOM 634 CB ILE A 39 8.424 2.790 3.262 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.833 4.062 2.597 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.415 2.987 4.789 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.302 4.145 2.690 1.00 1.00 C ATOM 0 H ILE A 39 8.892 2.025 0.952 1.00 1.00 H new ATOM 0 HA ILE A 39 10.495 3.259 3.089 1.00 1.00 H new ATOM 0 HB ILE A 39 7.801 1.939 2.986 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.266 4.944 3.069 1.00 1.00 H new ATOM 0 HG13 ILE A 39 8.127 4.084 1.548 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.404 3.227 5.119 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.748 2.070 5.276 1.00 1.00 H new ATOM 0 HG23 ILE A 39 9.087 3.804 5.054 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.957 5.058 2.205 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.860 3.281 2.193 1.00 1.00 H new ATOM 0 HD13 ILE A 39 6.001 4.154 3.738 1.00 1.00 H new ATOM 649 N PRO A 40 11.347 1.067 4.207 1.00 1.00 N ATOM 650 CA PRO A 40 11.948 -0.176 4.672 1.00 1.00 C ATOM 651 C PRO A 40 10.964 -0.994 5.516 1.00 1.00 C ATOM 652 O PRO A 40 10.028 -0.475 6.126 1.00 1.00 O ATOM 653 CB PRO A 40 13.217 0.225 5.423 1.00 1.00 C ATOM 654 CG PRO A 40 12.818 1.581 5.978 1.00 1.00 C ATOM 655 CD PRO A 40 11.993 2.199 4.849 1.00 1.00 C ATOM 0 HA PRO A 40 12.204 -0.840 3.847 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.469 -0.484 6.212 1.00 1.00 H new ATOM 0 HB3 PRO A 40 14.082 0.289 4.763 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.236 1.484 6.894 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.690 2.189 6.217 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.260 2.907 5.235 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.625 2.745 4.149 1.00 1.00 H new ATOM 663 N ARG A 41 11.233 -2.293 5.623 1.00 1.00 N ATOM 664 CA ARG A 41 10.351 -3.248 6.279 1.00 1.00 C ATOM 665 C ARG A 41 10.217 -3.000 7.779 1.00 1.00 C ATOM 666 O ARG A 41 9.121 -3.162 8.305 1.00 1.00 O ATOM 667 CB ARG A 41 10.849 -4.664 5.948 1.00 1.00 C ATOM 668 CG ARG A 41 9.766 -5.734 6.112 1.00 1.00 C ATOM 669 CD ARG A 41 9.918 -6.646 7.333 1.00 1.00 C ATOM 670 NE ARG A 41 8.907 -7.709 7.258 1.00 1.00 N ATOM 671 CZ ARG A 41 8.466 -8.495 8.242 1.00 1.00 C ATOM 672 NH1 ARG A 41 9.049 -8.519 9.433 1.00 1.00 N ATOM 673 NH2 ARG A 41 7.402 -9.260 8.036 1.00 1.00 N ATOM 0 H ARG A 41 12.083 -2.715 5.250 1.00 1.00 H new ATOM 0 HA ARG A 41 9.337 -3.124 5.897 1.00 1.00 H new ATOM 0 HB2 ARG A 41 11.218 -4.683 4.922 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.692 -4.907 6.595 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.797 -5.239 6.169 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.755 -6.355 5.216 1.00 1.00 H new ATOM 0 HD2 ARG A 41 10.918 -7.078 7.359 1.00 1.00 H new ATOM 0 HD3 ARG A 41 9.794 -6.072 8.251 1.00 1.00 H new ATOM 0 HE ARG A 41 8.491 -7.866 6.340 1.00 1.00 H new ATOM 0 HH11 ARG A 41 9.858 -7.926 9.617 1.00 1.00 H new ATOM 0 HH12 ARG A 41 8.688 -9.131 10.165 1.00 1.00 H new ATOM 0 HH21 ARG A 41 6.929 -9.244 7.132 1.00 1.00 H new ATOM 0 HH22 ARG A 41 7.057 -9.865 8.781 1.00 1.00 H new ATOM 687 N GLY A 42 11.285 -2.589 8.465 1.00 1.00 N ATOM 688 CA GLY A 42 11.234 -2.282 9.891 1.00 1.00 C ATOM 689 C GLY A 42 10.233 -1.167 10.169 1.00 1.00 C ATOM 690 O GLY A 42 9.409 -1.294 11.083 1.00 1.00 O ATOM 0 H GLY A 42 12.206 -2.461 8.047 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.955 -3.175 10.450 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.223 -1.984 10.239 1.00 1.00 H new ATOM 694 N ALA A 43 10.276 -0.110 9.350 1.00 1.00 N ATOM 695 CA ALA A 43 9.331 0.989 9.411 1.00 1.00 C ATOM 696 C ALA A 43 7.937 0.405 9.224 1.00 1.00 C ATOM 697 O ALA A 43 7.137 0.454 10.154 1.00 1.00 O ATOM 698 CB ALA A 43 9.657 2.059 8.361 1.00 1.00 C ATOM 0 H ALA A 43 10.980 -0.001 8.620 1.00 1.00 H new ATOM 0 HA ALA A 43 9.389 1.493 10.376 1.00 1.00 H new ATOM 0 HB1 ALA A 43 8.932 2.870 8.431 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.658 2.451 8.540 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.613 1.617 7.365 1.00 1.00 H new ATOM 704 N LEU A 44 7.690 -0.234 8.079 1.00 1.00 N ATOM 705 CA LEU A 44 6.381 -0.755 7.700 1.00 1.00 C ATOM 706 C LEU A 44 5.746 -1.673 8.745 1.00 1.00 C ATOM 707 O LEU A 44 4.537 -1.590 8.947 1.00 1.00 O ATOM 708 CB LEU A 44 6.465 -1.463 6.342 1.00 1.00 C ATOM 709 CG LEU A 44 6.750 -0.529 5.152 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.915 -1.375 3.893 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.621 0.479 4.924 1.00 1.00 C ATOM 0 H LEU A 44 8.410 -0.406 7.377 1.00 1.00 H new ATOM 0 HA LEU A 44 5.722 0.110 7.629 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.248 -2.220 6.389 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.526 -1.986 6.160 1.00 1.00 H new ATOM 0 HG LEU A 44 7.658 0.031 5.376 1.00 1.00 H new ATOM 0 HD11 LEU A 44 7.117 -0.725 3.042 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.746 -2.068 4.026 1.00 1.00 H new ATOM 0 HD13 LEU A 44 6.000 -1.938 3.710 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.868 1.116 4.074 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.693 -0.054 4.720 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.498 1.095 5.815 1.00 1.00 H new ATOM 723 N LEU A 45 6.516 -2.548 9.395 1.00 1.00 N ATOM 724 CA LEU A 45 6.001 -3.387 10.481 1.00 1.00 C ATOM 725 C LEU A 45 5.730 -2.609 11.757 1.00 1.00 C ATOM 726 O LEU A 45 4.743 -2.922 12.426 1.00 1.00 O ATOM 727 CB LEU A 45 6.875 -4.616 10.779 1.00 1.00 C ATOM 728 CG LEU A 45 6.674 -5.841 9.870 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.392 -6.597 10.247 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.630 -5.535 8.374 1.00 1.00 C ATOM 0 H LEU A 45 7.504 -2.695 9.187 1.00 1.00 H new ATOM 0 HA LEU A 45 5.047 -3.754 10.104 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.920 -4.314 10.717 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.692 -4.922 11.809 1.00 1.00 H new ATOM 0 HG LEU A 45 7.561 -6.451 10.043 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.271 -7.459 9.591 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.460 -6.935 11.281 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.533 -5.935 10.137 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.485 -6.461 7.817 1.00 1.00 H new ATOM 0 HD22 LEU A 45 5.805 -4.854 8.166 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.568 -5.072 8.070 1.00 1.00 H new ATOM 742 N SER A 46 6.572 -1.649 12.147 1.00 1.00 N ATOM 743 CA SER A 46 6.254 -0.844 13.306 1.00 1.00 C ATOM 744 C SER A 46 4.987 -0.021 13.062 1.00 1.00 C ATOM 745 O SER A 46 4.141 0.076 13.949 1.00 1.00 O ATOM 746 CB SER A 46 7.474 -0.008 13.676 1.00 1.00 C ATOM 747 OG SER A 46 7.907 0.909 12.686 1.00 1.00 O ATOM 0 H SER A 46 7.453 -1.422 11.686 1.00 1.00 H new ATOM 0 HA SER A 46 6.024 -1.477 14.163 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.250 0.547 14.587 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.298 -0.682 13.908 1.00 1.00 H new ATOM 0 HG SER A 46 7.426 0.739 11.849 1.00 1.00 H new ATOM 753 N MET A 47 4.858 0.527 11.854 1.00 1.00 N ATOM 754 CA MET A 47 3.724 1.288 11.367 1.00 1.00 C ATOM 755 C MET A 47 2.478 0.399 11.282 1.00 1.00 C ATOM 756 O MET A 47 2.546 -0.831 11.255 1.00 1.00 O ATOM 757 CB MET A 47 4.069 1.846 9.972 1.00 1.00 C ATOM 758 CG MET A 47 5.182 2.905 9.964 1.00 1.00 C ATOM 759 SD MET A 47 6.012 3.152 8.362 1.00 1.00 S ATOM 760 CE MET A 47 4.603 3.453 7.269 1.00 1.00 C ATOM 0 H MET A 47 5.592 0.442 11.151 1.00 1.00 H new ATOM 0 HA MET A 47 3.511 2.106 12.055 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.368 1.019 9.328 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.169 2.280 9.536 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.758 3.856 10.285 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.932 2.625 10.704 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.964 3.708 6.273 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.988 2.555 7.213 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.007 4.277 7.662 1.00 1.00 H new ATOM 770 N ASP A 48 1.333 1.058 11.158 1.00 1.00 N ATOM 771 CA ASP A 48 0.002 0.502 10.960 1.00 1.00 C ATOM 772 C ASP A 48 -0.600 1.120 9.708 1.00 1.00 C ATOM 773 O ASP A 48 0.118 1.668 8.870 1.00 1.00 O ATOM 774 CB ASP A 48 -0.872 0.753 12.195 1.00 1.00 C ATOM 775 CG ASP A 48 -1.024 2.229 12.556 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.587 3.018 11.770 1.00 1.00 O ATOM 777 OD2 ASP A 48 -0.561 2.618 13.651 1.00 1.00 O ATOM 0 H ASP A 48 1.310 2.077 11.197 1.00 1.00 H new ATOM 0 HA ASP A 48 0.061 -0.578 10.826 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.861 0.328 12.021 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.443 0.223 13.045 1.00 1.00 H new ATOM 782 N ALA A 49 -1.910 0.967 9.556 1.00 1.00 N ATOM 783 CA ALA A 49 -2.657 1.433 8.401 1.00 1.00 C ATOM 784 C ALA A 49 -2.653 2.958 8.270 1.00 1.00 C ATOM 785 O ALA A 49 -2.491 3.459 7.157 1.00 1.00 O ATOM 786 CB ALA A 49 -4.108 0.952 8.540 1.00 1.00 C ATOM 0 H ALA A 49 -2.494 0.503 10.252 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.179 1.029 7.508 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.688 1.292 7.682 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.128 -0.137 8.583 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.540 1.359 9.454 1.00 1.00 H new ATOM 792 N LEU A 50 -2.857 3.700 9.363 1.00 1.00 N ATOM 793 CA LEU A 50 -2.897 5.160 9.334 1.00 1.00 C ATOM 794 C LEU A 50 -1.469 5.655 9.143 1.00 1.00 C ATOM 795 O LEU A 50 -1.227 6.457 8.241 1.00 1.00 O ATOM 796 CB LEU A 50 -3.568 5.729 10.586 1.00 1.00 C ATOM 797 CG LEU A 50 -4.129 7.166 10.483 1.00 1.00 C ATOM 798 CD1 LEU A 50 -3.137 8.231 10.009 1.00 1.00 C ATOM 799 CD2 LEU A 50 -5.373 7.230 9.585 1.00 1.00 C ATOM 0 H LEU A 50 -2.999 3.302 10.292 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.510 5.512 8.504 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.385 5.064 10.865 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.844 5.704 11.401 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.380 7.406 11.516 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -3.634 9.201 9.973 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -2.297 8.279 10.702 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.773 7.972 9.015 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -5.736 8.257 9.539 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -5.115 6.891 8.582 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -6.152 6.588 9.996 1.00 1.00 H new ATOM 811 N ASP A 51 -0.512 5.141 9.936 1.00 1.00 N ATOM 812 CA ASP A 51 0.890 5.491 9.711 1.00 1.00 C ATOM 813 C ASP A 51 1.325 5.233 8.294 1.00 1.00 C ATOM 814 O ASP A 51 2.020 6.088 7.746 1.00 1.00 O ATOM 815 CB ASP A 51 1.937 4.911 10.671 1.00 1.00 C ATOM 816 CG ASP A 51 2.098 5.674 11.973 1.00 1.00 C ATOM 817 OD1 ASP A 51 2.294 6.907 11.877 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.311 5.043 13.033 1.00 1.00 O ATOM 0 H ASP A 51 -0.681 4.502 10.713 1.00 1.00 H new ATOM 0 HA ASP A 51 0.873 6.559 9.931 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.667 3.880 10.901 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.900 4.882 10.162 1.00 1.00 H new ATOM 823 N LEU A 52 0.938 4.098 7.707 1.00 1.00 N ATOM 824 CA LEU A 52 1.228 3.849 6.311 1.00 1.00 C ATOM 825 C LEU A 52 0.580 4.942 5.499 1.00 1.00 C ATOM 826 O LEU A 52 1.313 5.628 4.817 1.00 1.00 O ATOM 827 CB LEU A 52 0.752 2.485 5.809 1.00 1.00 C ATOM 828 CG LEU A 52 0.996 2.372 4.278 1.00 1.00 C ATOM 829 CD1 LEU A 52 2.097 1.371 3.956 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.284 2.023 3.529 1.00 1.00 C ATOM 0 H LEU A 52 0.429 3.350 8.178 1.00 1.00 H new ATOM 0 HA LEU A 52 2.312 3.843 6.198 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.284 1.689 6.331 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.308 2.357 6.028 1.00 1.00 H new ATOM 0 HG LEU A 52 1.326 3.354 3.938 1.00 1.00 H new ATOM 0 HD11 LEU A 52 2.238 1.320 2.876 1.00 1.00 H new ATOM 0 HD12 LEU A 52 3.027 1.688 4.429 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.816 0.387 4.332 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.073 1.953 2.462 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.666 1.067 3.887 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.030 2.799 3.701 1.00 1.00 H new ATOM 842 N THR A 53 -0.737 5.092 5.532 1.00 1.00 N ATOM 843 CA THR A 53 -1.469 6.035 4.713 1.00 1.00 C ATOM 844 C THR A 53 -0.784 7.398 4.683 1.00 1.00 C ATOM 845 O THR A 53 -0.506 7.916 3.602 1.00 1.00 O ATOM 846 CB THR A 53 -2.905 6.091 5.258 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.514 4.826 5.105 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.763 7.132 4.557 1.00 1.00 C ATOM 0 H THR A 53 -1.338 4.544 6.148 1.00 1.00 H new ATOM 0 HA THR A 53 -1.492 5.713 3.672 1.00 1.00 H new ATOM 0 HB THR A 53 -2.835 6.372 6.309 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.362 4.290 5.911 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.766 7.125 4.985 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.319 8.119 4.690 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.820 6.900 3.494 1.00 1.00 H new ATOM 856 N ASP A 54 -0.457 7.953 5.846 1.00 1.00 N ATOM 857 CA ASP A 54 0.173 9.271 5.901 1.00 1.00 C ATOM 858 C ASP A 54 1.623 9.227 5.417 1.00 1.00 C ATOM 859 O ASP A 54 2.060 10.134 4.695 1.00 1.00 O ATOM 860 CB ASP A 54 0.051 9.898 7.300 1.00 1.00 C ATOM 861 CG ASP A 54 -1.306 10.566 7.558 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.147 10.668 6.632 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.487 11.117 8.666 1.00 1.00 O ATOM 0 H ASP A 54 -0.615 7.518 6.755 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.370 9.919 5.212 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.215 9.125 8.051 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.841 10.638 7.427 1.00 1.00 H new ATOM 868 N LYS A 55 2.387 8.185 5.775 1.00 1.00 N ATOM 869 CA LYS A 55 3.753 7.998 5.289 1.00 1.00 C ATOM 870 C LYS A 55 3.728 7.925 3.770 1.00 1.00 C ATOM 871 O LYS A 55 4.339 8.753 3.122 1.00 1.00 O ATOM 872 CB LYS A 55 4.410 6.742 5.901 1.00 1.00 C ATOM 873 CG LYS A 55 5.923 6.638 5.627 1.00 1.00 C ATOM 874 CD LYS A 55 6.821 7.233 6.724 1.00 1.00 C ATOM 875 CE LYS A 55 6.614 8.734 6.959 1.00 1.00 C ATOM 876 NZ LYS A 55 5.699 9.012 8.087 1.00 1.00 N ATOM 0 H LYS A 55 2.072 7.451 6.409 1.00 1.00 H new ATOM 0 HA LYS A 55 4.361 8.847 5.601 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.244 6.745 6.978 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.916 5.855 5.505 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.182 5.588 5.495 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.143 7.141 4.685 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.636 6.701 7.657 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.864 7.058 6.459 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.578 9.204 7.154 1.00 1.00 H new ATOM 0 HE3 LYS A 55 6.215 9.188 6.052 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 5.022 9.752 7.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 5.181 8.145 8.336 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 6.249 9.335 8.909 1.00 1.00 H new ATOM 890 N LEU A 56 3.026 6.947 3.218 1.00 1.00 N ATOM 891 CA LEU A 56 2.884 6.564 1.827 1.00 1.00 C ATOM 892 C LEU A 56 2.390 7.770 1.023 1.00 1.00 C ATOM 893 O LEU A 56 3.038 8.155 0.054 1.00 1.00 O ATOM 894 CB LEU A 56 1.966 5.321 1.869 1.00 1.00 C ATOM 895 CG LEU A 56 1.524 4.537 0.629 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.602 5.372 -0.236 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.639 3.933 -0.217 1.00 1.00 C ATOM 0 H LEU A 56 2.475 6.328 3.813 1.00 1.00 H new ATOM 0 HA LEU A 56 3.802 6.286 1.309 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.458 4.602 2.524 1.00 1.00 H new ATOM 0 HB3 LEU A 56 1.051 5.636 2.372 1.00 1.00 H new ATOM 0 HG LEU A 56 0.993 3.677 1.037 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.301 4.795 -1.110 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.283 5.649 0.337 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.123 6.274 -0.558 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.206 3.403 -1.065 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.291 4.727 -0.580 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.218 3.236 0.389 1.00 1.00 H new ATOM 909 N VAL A 57 1.301 8.430 1.416 1.00 1.00 N ATOM 910 CA VAL A 57 0.810 9.569 0.645 1.00 1.00 C ATOM 911 C VAL A 57 1.793 10.749 0.689 1.00 1.00 C ATOM 912 O VAL A 57 1.921 11.445 -0.323 1.00 1.00 O ATOM 913 CB VAL A 57 -0.626 9.920 1.075 1.00 1.00 C ATOM 914 CG1 VAL A 57 -1.111 11.222 0.431 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.559 8.777 0.639 1.00 1.00 C ATOM 0 H VAL A 57 0.753 8.202 2.245 1.00 1.00 H new ATOM 0 HA VAL A 57 0.755 9.297 -0.409 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.637 10.053 2.157 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.128 11.434 0.760 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.456 12.041 0.728 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.095 11.119 -0.654 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.582 9.009 0.936 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.513 8.662 -0.444 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.244 7.849 1.116 1.00 1.00 H new ATOM 925 N SER A 58 2.502 10.980 1.802 1.00 1.00 N ATOM 926 CA SER A 58 3.521 12.024 1.843 1.00 1.00 C ATOM 927 C SER A 58 4.731 11.635 0.975 1.00 1.00 C ATOM 928 O SER A 58 5.153 12.400 0.104 1.00 1.00 O ATOM 929 CB SER A 58 3.891 12.266 3.312 1.00 1.00 C ATOM 930 OG SER A 58 4.621 13.462 3.507 1.00 1.00 O ATOM 0 H SER A 58 2.387 10.462 2.673 1.00 1.00 H new ATOM 0 HA SER A 58 3.143 12.956 1.423 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.980 12.301 3.910 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.479 11.424 3.677 1.00 1.00 H new ATOM 0 HG SER A 58 4.828 13.567 4.459 1.00 1.00 H new ATOM 936 N PHE A 59 5.278 10.440 1.199 1.00 1.00 N ATOM 937 CA PHE A 59 6.477 9.865 0.603 1.00 1.00 C ATOM 938 C PHE A 59 6.364 9.762 -0.916 1.00 1.00 C ATOM 939 O PHE A 59 7.369 9.963 -1.600 1.00 1.00 O ATOM 940 CB PHE A 59 6.726 8.495 1.263 1.00 1.00 C ATOM 941 CG PHE A 59 8.054 7.804 1.008 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.343 7.240 -0.247 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.967 7.629 2.066 1.00 1.00 C ATOM 944 CE1 PHE A 59 9.526 6.511 -0.438 1.00 1.00 C ATOM 945 CE2 PHE A 59 10.158 6.906 1.872 1.00 1.00 C ATOM 946 CZ PHE A 59 10.437 6.336 0.619 1.00 1.00 C ATOM 0 H PHE A 59 4.852 9.794 1.863 1.00 1.00 H new ATOM 0 HA PHE A 59 7.331 10.517 0.786 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.618 8.620 2.340 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.933 7.821 0.939 1.00 1.00 H new ATOM 0 HD1 PHE A 59 7.652 7.369 -1.067 1.00 1.00 H new ATOM 0 HD2 PHE A 59 8.751 8.054 3.035 1.00 1.00 H new ATOM 0 HE1 PHE A 59 9.739 6.080 -1.405 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.858 6.789 2.686 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.343 5.768 0.469 1.00 1.00 H new ATOM 956 N TYR A 60 5.176 9.457 -1.451 1.00 1.00 N ATOM 957 CA TYR A 60 4.967 9.368 -2.886 1.00 1.00 C ATOM 958 C TYR A 60 4.141 10.580 -3.307 1.00 1.00 C ATOM 959 O TYR A 60 4.723 11.651 -3.444 1.00 1.00 O ATOM 960 CB TYR A 60 4.339 8.005 -3.229 1.00 1.00 C ATOM 961 CG TYR A 60 5.212 6.818 -2.862 1.00 1.00 C ATOM 962 CD1 TYR A 60 5.138 6.259 -1.574 1.00 1.00 C ATOM 963 CD2 TYR A 60 6.114 6.274 -3.791 1.00 1.00 C ATOM 964 CE1 TYR A 60 5.917 5.156 -1.205 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.923 5.185 -3.423 1.00 1.00 C ATOM 966 CZ TYR A 60 6.808 4.607 -2.138 1.00 1.00 C ATOM 967 OH TYR A 60 7.539 3.519 -1.792 1.00 1.00 O ATOM 0 H TYR A 60 4.341 9.267 -0.897 1.00 1.00 H new ATOM 0 HA TYR A 60 5.898 9.403 -3.451 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.384 7.915 -2.712 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.127 7.972 -4.298 1.00 1.00 H new ATOM 0 HD1 TYR A 60 4.463 6.692 -0.851 1.00 1.00 H new ATOM 0 HD2 TYR A 60 6.186 6.691 -4.785 1.00 1.00 H new ATOM 0 HE1 TYR A 60 5.833 4.733 -0.215 1.00 1.00 H new ATOM 0 HE2 TYR A 60 7.638 4.787 -4.128 1.00 1.00 H new ATOM 0 HH TYR A 60 8.199 3.332 -2.492 1.00 1.00 H new ATOM 977 N LEU A 61 2.821 10.440 -3.432 1.00 1.00 N ATOM 978 CA LEU A 61 1.789 11.421 -3.783 1.00 1.00 C ATOM 979 C LEU A 61 0.450 10.787 -3.379 1.00 1.00 C ATOM 980 O LEU A 61 0.413 9.614 -3.009 1.00 1.00 O ATOM 981 CB LEU A 61 1.715 11.726 -5.299 1.00 1.00 C ATOM 982 CG LEU A 61 2.688 12.714 -5.978 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.996 13.935 -5.104 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.941 12.048 -6.563 1.00 1.00 C ATOM 0 H LEU A 61 2.397 9.526 -3.270 1.00 1.00 H new ATOM 0 HA LEU A 61 2.018 12.359 -3.277 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.820 10.773 -5.818 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.707 12.089 -5.499 1.00 1.00 H new ATOM 0 HG LEU A 61 2.153 13.097 -6.847 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.685 14.595 -5.631 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.072 14.471 -4.889 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.451 13.608 -4.169 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.575 12.806 -7.023 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.492 11.548 -5.767 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.647 11.317 -7.316 1.00 1.00 H new ATOM 996 N GLU A 62 -0.660 11.520 -3.489 1.00 1.00 N ATOM 997 CA GLU A 62 -2.001 10.995 -3.251 1.00 1.00 C ATOM 998 C GLU A 62 -2.296 9.930 -4.306 1.00 1.00 C ATOM 999 O GLU A 62 -2.504 8.763 -3.980 1.00 1.00 O ATOM 1000 CB GLU A 62 -3.057 12.113 -3.324 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.917 13.188 -2.243 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.132 14.412 -2.716 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.987 14.263 -3.205 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.691 15.529 -2.601 1.00 1.00 O ATOM 0 H GLU A 62 -0.650 12.506 -3.749 1.00 1.00 H new ATOM 0 HA GLU A 62 -2.045 10.564 -2.251 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.997 12.589 -4.303 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -4.048 11.665 -3.248 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.910 13.502 -1.920 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -2.420 12.758 -1.373 1.00 1.00 H new ATOM 1011 N THR A 63 -2.279 10.337 -5.575 1.00 1.00 N ATOM 1012 CA THR A 63 -2.580 9.493 -6.716 1.00 1.00 C ATOM 1013 C THR A 63 -1.581 8.337 -6.784 1.00 1.00 C ATOM 1014 O THR A 63 -2.007 7.183 -6.759 1.00 1.00 O ATOM 1015 CB THR A 63 -2.580 10.364 -7.977 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.329 11.551 -7.764 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.138 9.628 -9.189 1.00 1.00 C ATOM 0 H THR A 63 -2.047 11.295 -5.839 1.00 1.00 H new ATOM 0 HA THR A 63 -3.567 9.041 -6.623 1.00 1.00 H new ATOM 0 HB THR A 63 -1.539 10.615 -8.184 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.317 12.096 -8.578 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.117 10.287 -10.057 1.00 1.00 H new ATOM 0 HG22 THR A 63 -2.531 8.745 -9.389 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.166 9.325 -8.989 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.266 8.613 -6.815 1.00 1.00 N ATOM 1026 CA TYR A 64 0.726 7.541 -6.828 1.00 1.00 C ATOM 1027 C TYR A 64 0.586 6.659 -5.590 1.00 1.00 C ATOM 1028 O TYR A 64 0.862 5.472 -5.674 1.00 1.00 O ATOM 1029 CB TYR A 64 2.172 8.054 -6.938 1.00 1.00 C ATOM 1030 CG TYR A 64 3.126 6.981 -7.433 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.699 6.053 -6.541 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.365 6.855 -8.815 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.474 4.988 -7.029 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.142 5.795 -9.312 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.686 4.849 -8.417 1.00 1.00 C ATOM 1036 OH TYR A 64 5.349 3.763 -8.893 1.00 1.00 O ATOM 0 H TYR A 64 0.124 9.556 -6.831 1.00 1.00 H new ATOM 0 HA TYR A 64 0.523 6.955 -7.724 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.203 8.906 -7.617 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.504 8.411 -5.963 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.542 6.161 -5.478 1.00 1.00 H new ATOM 0 HD2 TYR A 64 2.948 7.579 -9.499 1.00 1.00 H new ATOM 0 HE1 TYR A 64 4.907 4.276 -6.342 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.322 5.705 -10.373 1.00 1.00 H new ATOM 0 HH TYR A 64 5.409 3.819 -9.870 1.00 1.00 H new ATOM 1046 N GLY A 65 0.148 7.190 -4.450 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.044 6.411 -3.245 1.00 1.00 C ATOM 1048 C GLY A 65 -1.161 5.388 -3.425 1.00 1.00 C ATOM 1049 O GLY A 65 -0.964 4.201 -3.151 1.00 1.00 O ATOM 0 H GLY A 65 -0.083 8.178 -4.344 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.883 5.900 -2.987 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.284 7.074 -2.414 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.331 5.826 -3.887 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.458 4.934 -4.125 1.00 1.00 C ATOM 1055 C ALA A 66 -3.129 3.932 -5.237 1.00 1.00 C ATOM 1056 O ALA A 66 -3.528 2.767 -5.160 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.709 5.763 -4.432 1.00 1.00 C ATOM 0 H ALA A 66 -2.521 6.804 -4.105 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.660 4.347 -3.229 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.553 5.096 -4.610 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.932 6.412 -3.585 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.534 6.371 -5.319 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.378 4.369 -6.250 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.906 3.532 -7.344 1.00 1.00 C ATOM 1065 C GLU A 67 -0.961 2.462 -6.800 1.00 1.00 C ATOM 1066 O GLU A 67 -1.229 1.279 -6.997 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.261 4.391 -8.448 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.077 3.617 -9.766 1.00 1.00 C ATOM 1069 CD GLU A 67 0.345 3.098 -10.008 1.00 1.00 C ATOM 1070 OE1 GLU A 67 0.699 1.992 -9.526 1.00 1.00 O ATOM 1071 OE2 GLU A 67 1.099 3.782 -10.741 1.00 1.00 O ATOM 0 H GLU A 67 -2.076 5.340 -6.330 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.750 3.021 -7.806 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.881 5.269 -8.630 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.292 4.751 -8.104 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.765 2.771 -9.775 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.359 4.266 -10.595 1.00 1.00 H new ATOM 1078 N LEU A 68 0.096 2.864 -6.082 1.00 1.00 N ATOM 1079 CA LEU A 68 1.086 2.017 -5.419 1.00 1.00 C ATOM 1080 C LEU A 68 0.376 0.966 -4.590 1.00 1.00 C ATOM 1081 O LEU A 68 0.661 -0.219 -4.734 1.00 1.00 O ATOM 1082 CB LEU A 68 2.030 2.860 -4.530 1.00 1.00 C ATOM 1083 CG LEU A 68 3.094 2.026 -3.792 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.247 2.922 -3.333 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.546 1.303 -2.556 1.00 1.00 C ATOM 0 H LEU A 68 0.292 3.855 -5.942 1.00 1.00 H new ATOM 0 HA LEU A 68 1.695 1.527 -6.179 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.530 3.604 -5.150 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.435 3.404 -3.797 1.00 1.00 H new ATOM 0 HG LEU A 68 3.431 1.277 -4.509 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.991 2.319 -2.813 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.706 3.397 -4.200 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.866 3.689 -2.659 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.346 0.734 -2.083 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.155 2.035 -1.850 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.747 0.625 -2.856 1.00 1.00 H new ATOM 1097 N THR A 69 -0.523 1.399 -3.713 1.00 1.00 N ATOM 1098 CA THR A 69 -1.226 0.519 -2.800 1.00 1.00 C ATOM 1099 C THR A 69 -1.944 -0.546 -3.633 1.00 1.00 C ATOM 1100 O THR A 69 -1.662 -1.731 -3.468 1.00 1.00 O ATOM 1101 CB THR A 69 -2.137 1.345 -1.879 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.376 2.348 -1.238 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.790 0.504 -0.780 1.00 1.00 C ATOM 0 H THR A 69 -0.783 2.381 -3.619 1.00 1.00 H new ATOM 0 HA THR A 69 -0.549 -0.007 -2.127 1.00 1.00 H new ATOM 0 HB THR A 69 -2.918 1.763 -2.514 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.421 3.177 -1.759 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.422 1.141 -0.161 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.398 -0.279 -1.234 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.016 0.050 -0.161 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.776 -0.146 -4.603 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.455 -1.089 -5.485 1.00 1.00 C ATOM 1113 C ALA A 70 -2.465 -1.967 -6.272 1.00 1.00 C ATOM 1114 O ALA A 70 -2.814 -3.085 -6.626 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.315 -0.307 -6.490 1.00 1.00 C ATOM 0 H ALA A 70 -2.993 0.832 -4.793 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.066 -1.741 -4.861 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.826 -1.006 -7.153 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.053 0.288 -5.952 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.677 0.352 -7.079 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.252 -1.483 -6.558 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.235 -2.142 -7.383 1.00 1.00 C ATOM 1123 C ASN A 71 0.329 -3.347 -6.627 1.00 1.00 C ATOM 1124 O ASN A 71 0.392 -4.461 -7.150 1.00 1.00 O ATOM 1125 CB ASN A 71 0.908 -1.146 -7.676 1.00 1.00 C ATOM 1126 CG ASN A 71 1.723 -1.504 -8.899 1.00 1.00 C ATOM 1127 OD1 ASN A 71 2.255 -2.603 -9.035 1.00 1.00 O ATOM 1128 ND2 ASN A 71 1.893 -0.556 -9.807 1.00 1.00 N ATOM 0 H ASN A 71 -0.938 -0.579 -6.204 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.683 -2.474 -8.320 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.486 -0.150 -7.810 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.569 -1.099 -6.810 1.00 1.00 H new ATOM 0 HD21 ASN A 71 2.470 -0.735 -10.629 1.00 1.00 H new ATOM 0 HD22 ASN A 71 1.447 0.353 -9.685 1.00 1.00 H new ATOM 1135 N VAL A 72 0.738 -3.103 -5.380 1.00 1.00 N ATOM 1136 CA VAL A 72 1.240 -4.116 -4.459 1.00 1.00 C ATOM 1137 C VAL A 72 0.122 -5.119 -4.174 1.00 1.00 C ATOM 1138 O VAL A 72 0.344 -6.324 -4.258 1.00 1.00 O ATOM 1139 CB VAL A 72 1.737 -3.442 -3.160 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.293 -4.465 -2.163 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.841 -2.393 -3.371 1.00 1.00 C ATOM 0 H VAL A 72 0.727 -2.167 -4.975 1.00 1.00 H new ATOM 0 HA VAL A 72 2.083 -4.647 -4.901 1.00 1.00 H new ATOM 0 HB VAL A 72 0.845 -2.947 -2.775 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.632 -3.950 -1.264 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.512 -5.179 -1.900 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.131 -4.995 -2.615 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.130 -1.971 -2.409 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.707 -2.865 -3.836 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.469 -1.599 -4.019 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.082 -4.627 -3.867 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.259 -5.447 -3.602 1.00 1.00 C ATOM 1153 C LEU A 73 -2.527 -6.367 -4.800 1.00 1.00 C ATOM 1154 O LEU A 73 -2.619 -7.583 -4.643 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.439 -4.514 -3.266 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.337 -3.820 -1.887 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.457 -2.787 -1.760 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.364 -4.711 -0.645 1.00 1.00 C ATOM 0 H LEU A 73 -1.265 -3.626 -3.795 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.105 -6.101 -2.744 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.512 -3.749 -4.039 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.363 -5.091 -3.300 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.338 -3.384 -1.892 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.390 -2.295 -0.790 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.358 -2.044 -2.551 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.423 -3.285 -1.848 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.285 -4.092 0.249 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.300 -5.269 -0.618 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.527 -5.408 -0.679 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.579 -5.811 -6.011 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.720 -6.579 -7.245 1.00 1.00 C ATOM 1172 C ARG A 74 -1.609 -7.613 -7.382 1.00 1.00 C ATOM 1173 O ARG A 74 -1.903 -8.723 -7.819 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.825 -5.624 -8.448 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.871 -6.351 -9.799 1.00 1.00 C ATOM 1176 CD ARG A 74 -1.477 -6.496 -10.436 1.00 1.00 C ATOM 1177 NE ARG A 74 -1.351 -5.608 -11.599 1.00 1.00 N ATOM 1178 CZ ARG A 74 -0.342 -5.546 -12.472 1.00 1.00 C ATOM 1179 NH1 ARG A 74 0.763 -6.267 -12.321 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -0.466 -4.731 -13.511 1.00 1.00 N ATOM 0 H ARG A 74 -2.524 -4.804 -6.162 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.647 -7.151 -7.213 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.722 -5.014 -8.341 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.973 -4.944 -8.438 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -3.309 -7.340 -9.662 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.524 -5.805 -10.480 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -0.708 -6.256 -9.702 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -1.315 -7.530 -10.741 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.125 -4.963 -11.759 1.00 1.00 H new ATOM 0 HH11 ARG A 74 0.859 -6.891 -11.520 1.00 1.00 H new ATOM 0 HH12 ARG A 74 1.515 -6.197 -13.006 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -1.314 -4.175 -13.625 1.00 1.00 H new ATOM 0 HH22 ARG A 74 0.286 -4.660 -14.196 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.363 -7.316 -6.999 1.00 1.00 N ATOM 1195 CA ASP A 75 0.698 -8.312 -7.057 1.00 1.00 C ATOM 1196 C ASP A 75 0.448 -9.446 -6.069 1.00 1.00 C ATOM 1197 O ASP A 75 0.682 -10.611 -6.392 1.00 1.00 O ATOM 1198 CB ASP A 75 2.055 -7.666 -6.827 1.00 1.00 C ATOM 1199 CG ASP A 75 3.156 -8.624 -7.286 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.481 -8.607 -8.498 1.00 1.00 O ATOM 1201 OD2 ASP A 75 3.672 -9.432 -6.480 1.00 1.00 O ATOM 0 H ASP A 75 -0.072 -6.403 -6.650 1.00 1.00 H new ATOM 0 HA ASP A 75 0.698 -8.747 -8.057 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.121 -6.727 -7.377 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.182 -7.427 -5.771 1.00 1.00 H new ATOM 1206 N MET A 76 -0.073 -9.146 -4.878 1.00 1.00 N ATOM 1207 CA MET A 76 -0.461 -10.172 -3.906 1.00 1.00 C ATOM 1208 C MET A 76 -1.582 -11.050 -4.492 1.00 1.00 C ATOM 1209 O MET A 76 -1.736 -12.210 -4.108 1.00 1.00 O ATOM 1210 CB MET A 76 -0.871 -9.523 -2.574 1.00 1.00 C ATOM 1211 CG MET A 76 0.272 -8.729 -1.924 1.00 1.00 C ATOM 1212 SD MET A 76 -0.268 -7.438 -0.773 1.00 1.00 S ATOM 1213 CE MET A 76 -0.701 -8.451 0.660 1.00 1.00 C ATOM 0 H MET A 76 -0.238 -8.191 -4.560 1.00 1.00 H new ATOM 0 HA MET A 76 0.393 -10.817 -3.699 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.718 -8.859 -2.744 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.207 -10.298 -1.885 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.923 -9.423 -1.392 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.871 -8.269 -2.710 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.339 -7.877 1.332 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.233 -9.343 0.328 1.00 1.00 H new ATOM 0 HE3 MET A 76 0.208 -8.745 1.186 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.297 -10.525 -5.488 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.331 -11.176 -6.275 1.00 1.00 C ATOM 1225 C GLY A 77 -4.706 -10.548 -6.076 1.00 1.00 C ATOM 1226 O GLY A 77 -5.645 -10.858 -6.821 1.00 1.00 O ATOM 0 H GLY A 77 -2.153 -9.559 -5.784 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.063 -11.127 -7.330 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.376 -12.231 -6.006 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.815 -9.597 -5.155 1.00 1.00 N ATOM 1231 CA LEU A 78 -6.047 -8.958 -4.738 1.00 1.00 C ATOM 1232 C LEU A 78 -6.490 -8.019 -5.854 1.00 1.00 C ATOM 1233 O LEU A 78 -5.772 -7.105 -6.246 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.716 -8.231 -3.427 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.788 -7.335 -2.791 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.206 -6.870 -1.457 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.096 -6.089 -3.632 1.00 1.00 C ATOM 0 H LEU A 78 -4.002 -9.236 -4.657 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.872 -9.648 -4.561 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.437 -8.986 -2.692 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.833 -7.616 -3.603 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.717 -7.898 -2.697 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.925 -6.225 -0.952 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.994 -7.737 -0.831 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.284 -6.317 -1.635 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.861 -5.493 -3.133 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.190 -5.494 -3.746 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.457 -6.393 -4.615 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.685 -8.264 -6.384 1.00 1.00 N ATOM 1250 CA GLN A 79 -8.230 -7.535 -7.523 1.00 1.00 C ATOM 1251 C GLN A 79 -9.360 -6.597 -7.106 1.00 1.00 C ATOM 1252 O GLN A 79 -9.367 -5.432 -7.500 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.688 -8.521 -8.618 1.00 1.00 C ATOM 1254 CG GLN A 79 -9.425 -9.763 -8.084 1.00 1.00 C ATOM 1255 CD GLN A 79 -10.014 -10.608 -9.205 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -9.284 -11.231 -9.972 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -11.328 -10.685 -9.327 1.00 1.00 N ATOM 0 H GLN A 79 -8.311 -8.986 -6.028 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.438 -6.909 -7.934 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -9.343 -7.995 -9.313 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.816 -8.846 -9.185 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.734 -10.370 -7.499 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -10.222 -9.449 -7.411 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -11.931 -10.166 -8.688 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.739 -11.263 -10.060 1.00 1.00 H new ATOM 1266 N GLU A 80 -10.282 -7.104 -6.291 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.502 -6.452 -5.843 1.00 1.00 C ATOM 1268 C GLU A 80 -11.210 -5.164 -5.087 1.00 1.00 C ATOM 1269 O GLU A 80 -11.491 -4.081 -5.593 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.342 -7.461 -5.034 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.579 -8.299 -3.985 1.00 1.00 C ATOM 1272 CD GLU A 80 -12.338 -9.578 -3.649 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.490 -10.433 -4.552 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -12.748 -9.754 -2.480 1.00 1.00 O ATOM 0 H GLU A 80 -10.187 -8.042 -5.903 1.00 1.00 H new ATOM 0 HA GLU A 80 -12.091 -6.142 -6.706 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -13.136 -6.915 -4.524 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.824 -8.144 -5.734 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.588 -8.549 -4.365 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.434 -7.710 -3.080 1.00 1.00 H new ATOM 1281 N MET A 81 -10.580 -5.264 -3.918 1.00 1.00 N ATOM 1282 CA MET A 81 -10.212 -4.112 -3.110 1.00 1.00 C ATOM 1283 C MET A 81 -9.349 -3.133 -3.906 1.00 1.00 C ATOM 1284 O MET A 81 -9.561 -1.947 -3.740 1.00 1.00 O ATOM 1285 CB MET A 81 -9.666 -4.587 -1.754 1.00 1.00 C ATOM 1286 CG MET A 81 -8.808 -3.547 -1.028 1.00 1.00 C ATOM 1287 SD MET A 81 -8.079 -4.078 0.552 1.00 1.00 S ATOM 1288 CE MET A 81 -9.400 -5.060 1.320 1.00 1.00 C ATOM 0 H MET A 81 -10.310 -6.157 -3.505 1.00 1.00 H new ATOM 0 HA MET A 81 -11.084 -3.509 -2.856 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.504 -4.863 -1.113 1.00 1.00 H new ATOM 0 HB3 MET A 81 -9.073 -5.488 -1.909 1.00 1.00 H new ATOM 0 HG2 MET A 81 -8.001 -3.242 -1.694 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.420 -2.664 -0.845 1.00 1.00 H new ATOM 0 HE1 MET A 81 -9.103 -5.342 2.330 1.00 1.00 H new ATOM 0 HE2 MET A 81 -10.315 -4.469 1.362 1.00 1.00 H new ATOM 0 HE3 MET A 81 -9.576 -5.959 0.729 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.458 -3.561 -4.806 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.685 -2.663 -5.670 1.00 1.00 C ATOM 1300 C ALA A 82 -8.602 -1.878 -6.631 1.00 1.00 C ATOM 1301 O ALA A 82 -8.388 -0.684 -6.875 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.633 -3.473 -6.436 1.00 1.00 C ATOM 0 H ALA A 82 -8.251 -4.548 -4.957 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.177 -1.926 -5.048 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.058 -2.807 -7.079 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.964 -3.962 -5.728 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.129 -4.228 -7.047 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.634 -2.538 -7.162 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.652 -1.926 -7.999 1.00 1.00 C ATOM 1310 C GLY A 83 -11.424 -0.884 -7.195 1.00 1.00 C ATOM 1311 O GLY A 83 -11.563 0.258 -7.645 1.00 1.00 O ATOM 0 H GLY A 83 -9.783 -3.536 -7.014 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -10.189 -1.458 -8.868 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.335 -2.689 -8.374 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.897 -1.252 -6.000 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.550 -0.312 -5.097 1.00 1.00 C ATOM 1317 C GLN A 84 -11.585 0.778 -4.626 1.00 1.00 C ATOM 1318 O GLN A 84 -12.051 1.864 -4.312 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.175 -1.011 -3.878 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.551 -1.643 -4.146 1.00 1.00 C ATOM 1321 CD GLN A 84 -14.480 -3.025 -4.778 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -14.758 -3.203 -5.963 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -14.137 -4.040 -4.002 1.00 1.00 N ATOM 0 H GLN A 84 -11.837 -2.204 -5.638 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.353 0.150 -5.672 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.493 -1.787 -3.530 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.272 -0.287 -3.069 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -15.098 -1.712 -3.206 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -15.122 -0.984 -4.800 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -13.909 -3.878 -3.021 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -14.101 -4.985 -4.385 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.275 0.543 -4.573 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.260 1.499 -4.131 1.00 1.00 C ATOM 1334 C LEU A 85 -9.193 2.649 -5.122 1.00 1.00 C ATOM 1335 O LEU A 85 -9.257 3.824 -4.744 1.00 1.00 O ATOM 1336 CB LEU A 85 -7.905 0.772 -4.025 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.825 1.420 -3.166 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.360 1.752 -1.787 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.733 0.376 -2.946 1.00 1.00 C ATOM 0 H LEU A 85 -9.875 -0.354 -4.848 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.513 1.906 -3.152 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.090 -0.229 -3.635 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.507 0.653 -5.033 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.474 2.324 -3.664 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.572 2.213 -1.192 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.197 2.444 -1.878 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.696 0.838 -1.297 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.939 0.803 -2.333 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -6.156 -0.491 -2.439 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.323 0.070 -3.908 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.091 2.284 -6.404 1.00 1.00 N ATOM 1352 CA GLN A 86 -9.127 3.231 -7.504 1.00 1.00 C ATOM 1353 C GLN A 86 -10.467 3.977 -7.459 1.00 1.00 C ATOM 1354 O GLN A 86 -10.481 5.203 -7.368 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.917 2.458 -8.814 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.912 3.351 -10.062 1.00 1.00 C ATOM 1357 CD GLN A 86 -8.905 2.494 -11.323 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -9.762 1.632 -11.493 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -7.974 2.685 -12.235 1.00 1.00 N ATOM 0 H GLN A 86 -8.981 1.315 -6.701 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.335 3.976 -7.430 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.971 1.919 -8.760 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.704 1.711 -8.915 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -9.789 3.998 -10.058 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -8.037 4.000 -10.050 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -7.262 3.401 -12.094 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -7.966 2.117 -13.082 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.584 3.238 -7.482 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.933 3.799 -7.531 1.00 1.00 C ATOM 1370 C ALA A 87 -13.326 4.559 -6.255 1.00 1.00 C ATOM 1371 O ALA A 87 -14.349 5.245 -6.242 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.936 2.680 -7.820 1.00 1.00 C ATOM 0 H ALA A 87 -11.571 2.218 -7.467 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.947 4.536 -8.334 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.943 3.095 -7.857 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.699 2.217 -8.778 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.882 1.930 -7.031 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.595 4.385 -5.152 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.797 5.132 -3.924 1.00 1.00 C ATOM 1380 C ALA A 88 -12.116 6.466 -4.158 1.00 1.00 C ATOM 1381 O ALA A 88 -12.793 7.487 -4.177 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.204 4.426 -2.699 1.00 1.00 C ATOM 0 H ALA A 88 -11.835 3.708 -5.093 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.860 5.236 -3.705 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.384 5.029 -1.809 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.675 3.450 -2.578 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.131 4.296 -2.838 1.00 1.00 H new ATOM 1388 N THR A 89 -10.797 6.449 -4.389 1.00 1.00 N ATOM 1389 CA THR A 89 -9.996 7.654 -4.571 1.00 1.00 C ATOM 1390 C THR A 89 -10.644 8.565 -5.608 1.00 1.00 C ATOM 1391 O THR A 89 -10.951 9.734 -5.336 1.00 1.00 O ATOM 1392 CB THR A 89 -8.531 7.296 -4.890 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.055 6.322 -3.982 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.631 8.539 -4.780 1.00 1.00 C ATOM 0 H THR A 89 -10.256 5.587 -4.454 1.00 1.00 H new ATOM 0 HA THR A 89 -9.967 8.218 -3.639 1.00 1.00 H new ATOM 0 HB THR A 89 -8.499 6.907 -5.908 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.325 5.431 -4.287 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.601 8.264 -5.009 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.970 9.297 -5.486 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.683 8.938 -3.767 1.00 1.00 H new