USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 680 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 3 LYS NZ :NH3+ -147:sc= 0.0177 (180deg=-0.35) USER MOD Set 1.2: A 5 THR OG1 : rot -173:sc= 0.132 USER MOD Single : A 4 ASN : amide:sc= -2.19! C(o=-2.2!,f=-8.9!) USER MOD Single : A 12 ASN : amide:sc= -2.14! C(o=-2.1!,f=-4.7!) USER MOD Single : A 25 CYS SG : rot 18:sc= 0.0614 USER MOD Single : A 26 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.7!) USER MOD Single : A 28 SER OG : rot -64:sc= -1.55! USER MOD Single : A 29 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.076) USER MOD Single : A 35 HIS : no HE2:sc= -0.975 K(o=-0.98,f=-2.2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -44:sc= 0.537! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0799 K(o=-0.08,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= -2.06! C(o=-2.1!,f=-3.2!) USER MOD Single : A 61 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-2.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 71 GLN : amide:sc= -0.0153 K(o=-0.015,f=-1.8!) USER MOD Single : A 73 SER OG : rot -74:sc= 1.24 USER MOD Single : A 74 CYS SG : rot -64:sc= -3.97! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -148:sc= -0.157 (180deg=-3.19) USER MOD Single : A 85 THR OG1 : rot -14:sc= -0.642! USER MOD Single : A 86 SER OG : rot 5:sc= -0.117 USER MOD Single : A 90 THR OG1 : rot -32:sc= -0.139 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 56.177 5.657 -1.044 1.00 0.00 N ATOM 28 CA LYS A 3 56.988 6.865 -0.995 1.00 0.00 C ATOM 29 C LYS A 3 58.471 6.517 -1.024 1.00 0.00 C ATOM 30 O LYS A 3 58.928 5.654 -0.276 1.00 0.00 O ATOM 31 CB LYS A 3 56.694 7.642 0.284 1.00 0.00 C ATOM 32 CG LYS A 3 57.393 8.998 0.210 1.00 0.00 C ATOM 33 CD LYS A 3 57.031 9.827 1.438 1.00 0.00 C ATOM 34 CE LYS A 3 57.711 11.194 1.338 1.00 0.00 C ATOM 35 NZ LYS A 3 59.186 11.023 1.476 1.00 0.00 N1+ ATOM 0 HA LYS A 3 56.740 7.473 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.619 7.778 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 3 57.044 7.084 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 3 58.473 8.860 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 3 57.094 9.523 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.950 9.949 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 3 57.350 9.314 2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 3 57.476 11.661 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 3 57.336 11.857 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 59.589 11.855 1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 59.386 10.171 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 59.614 10.924 0.533 1.00 0.00 H new ATOM 49 N ASN A 4 59.225 7.207 -1.878 1.00 0.00 N ATOM 50 CA ASN A 4 60.662 6.989 -1.987 1.00 0.00 C ATOM 51 C ASN A 4 61.344 8.339 -2.171 1.00 0.00 C ATOM 52 O ASN A 4 61.183 8.978 -3.210 1.00 0.00 O ATOM 53 CB ASN A 4 60.958 6.080 -3.179 1.00 0.00 C ATOM 54 CG ASN A 4 60.473 6.731 -4.471 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.676 7.668 -4.438 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.907 6.282 -5.619 1.00 0.00 N ATOM 0 H ASN A 4 58.861 7.924 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 4 61.038 6.508 -1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 4 62.029 5.886 -3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.467 5.117 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 4 60.585 6.708 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 4 61.568 5.505 -5.646 1.00 0.00 H new ATOM 63 N THR A 5 62.100 8.792 -1.167 1.00 0.00 N ATOM 64 CA THR A 5 62.771 10.092 -1.275 1.00 0.00 C ATOM 65 C THR A 5 64.117 10.095 -0.557 1.00 0.00 C ATOM 66 O THR A 5 64.186 9.998 0.668 1.00 0.00 O ATOM 67 CB THR A 5 61.879 11.180 -0.679 1.00 0.00 C ATOM 68 OG1 THR A 5 60.635 11.197 -1.363 1.00 0.00 O ATOM 69 CG2 THR A 5 62.565 12.537 -0.827 1.00 0.00 C ATOM 0 H THR A 5 62.261 8.294 -0.292 1.00 0.00 H new ATOM 0 HA THR A 5 62.951 10.287 -2.332 1.00 0.00 H new ATOM 0 HB THR A 5 61.708 10.975 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.105 11.963 -1.058 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.930 13.314 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.520 12.521 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.736 12.745 -1.883 1.00 0.00 H new ATOM 77 N VAL A 6 65.185 10.199 -1.335 1.00 0.00 N ATOM 78 CA VAL A 6 66.528 10.203 -0.769 1.00 0.00 C ATOM 79 C VAL A 6 66.730 11.413 0.143 1.00 0.00 C ATOM 80 O VAL A 6 66.608 12.559 -0.287 1.00 0.00 O ATOM 81 CB VAL A 6 67.580 10.193 -1.896 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.817 11.610 -2.438 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.904 9.627 -1.366 1.00 0.00 C ATOM 0 H VAL A 6 65.150 10.281 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 6 66.651 9.303 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 6 67.205 9.566 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.563 11.576 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.883 12.009 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.173 12.253 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.644 9.622 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.262 10.248 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.748 8.609 -1.010 1.00 0.00 H new ATOM 93 N VAL A 7 67.057 11.143 1.401 1.00 0.00 N ATOM 94 CA VAL A 7 67.298 12.209 2.367 1.00 0.00 C ATOM 95 C VAL A 7 68.770 12.589 2.326 1.00 0.00 C ATOM 96 O VAL A 7 69.124 13.766 2.246 1.00 0.00 O ATOM 97 CB VAL A 7 66.911 11.734 3.766 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.029 12.898 4.752 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.471 11.218 3.738 1.00 0.00 C ATOM 0 H VAL A 7 67.161 10.200 1.775 1.00 0.00 H new ATOM 0 HA VAL A 7 66.693 13.081 2.117 1.00 0.00 H new ATOM 0 HB VAL A 7 67.578 10.932 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.753 12.559 5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.056 13.262 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.362 13.704 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.187 10.877 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.803 12.021 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.395 10.388 3.035 1.00 0.00 H new ATOM 109 N ARG A 8 69.622 11.565 2.358 1.00 0.00 N ATOM 110 CA ARG A 8 71.064 11.742 2.299 1.00 0.00 C ATOM 111 C ARG A 8 71.665 10.598 1.488 1.00 0.00 C ATOM 112 O ARG A 8 71.312 9.435 1.682 1.00 0.00 O ATOM 113 CB ARG A 8 71.652 11.789 3.736 1.00 0.00 C ATOM 114 CG ARG A 8 72.936 10.943 3.852 1.00 0.00 C ATOM 115 CD ARG A 8 73.516 11.078 5.261 1.00 0.00 C ATOM 116 NE ARG A 8 73.819 12.473 5.561 1.00 0.00 N ATOM 117 CZ ARG A 8 74.965 13.032 5.186 1.00 0.00 C ATOM 118 NH1 ARG A 8 75.079 13.552 3.994 1.00 0.00 N ATOM 119 NH2 ARG A 8 75.977 13.066 6.011 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.327 10.591 2.426 1.00 0.00 H new ATOM 0 HA ARG A 8 71.310 12.686 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.871 12.822 4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 8 70.910 11.424 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 8 72.715 9.897 3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.668 11.272 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 8 72.806 10.690 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 8 74.422 10.477 5.346 1.00 0.00 H new ATOM 0 HE ARG A 8 73.135 13.033 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 8 74.288 13.529 3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 8 75.959 13.981 3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 8 75.888 12.663 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 8 76.856 13.495 5.722 1.00 0.00 H new ATOM 133 N GLY A 9 72.581 10.931 0.597 1.00 0.00 N ATOM 134 CA GLY A 9 73.235 9.927 -0.224 1.00 0.00 C ATOM 135 C GLY A 9 74.607 9.587 0.341 1.00 0.00 C ATOM 136 O GLY A 9 74.971 10.040 1.427 1.00 0.00 O ATOM 0 H GLY A 9 72.889 11.888 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.620 9.028 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.337 10.294 -1.245 1.00 0.00 H new ATOM 140 N LEU A 10 75.369 8.794 -0.401 1.00 0.00 N ATOM 141 CA LEU A 10 76.706 8.418 0.038 1.00 0.00 C ATOM 142 C LEU A 10 77.636 9.614 -0.103 1.00 0.00 C ATOM 143 O LEU A 10 77.338 10.549 -0.844 1.00 0.00 O ATOM 144 CB LEU A 10 77.224 7.251 -0.809 1.00 0.00 C ATOM 145 CG LEU A 10 76.272 6.044 -0.678 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.386 5.163 -1.925 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.645 5.206 0.552 1.00 0.00 C ATOM 0 H LEU A 10 75.088 8.402 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 10 76.671 8.107 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.300 7.554 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.226 6.972 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 10 75.252 6.414 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.713 4.311 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.115 5.744 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.411 4.806 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.966 4.357 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.668 4.844 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.567 5.821 1.449 1.00 0.00 H new ATOM 159 N GLU A 11 78.765 9.591 0.602 1.00 0.00 N ATOM 160 CA GLU A 11 79.723 10.692 0.533 1.00 0.00 C ATOM 161 C GLU A 11 81.136 10.140 0.437 1.00 0.00 C ATOM 162 O GLU A 11 81.346 8.930 0.516 1.00 0.00 O ATOM 163 CB GLU A 11 79.619 11.561 1.785 1.00 0.00 C ATOM 164 CG GLU A 11 78.193 12.085 1.930 1.00 0.00 C ATOM 165 CD GLU A 11 78.110 13.026 3.125 1.00 0.00 C ATOM 166 OE1 GLU A 11 78.758 14.059 3.087 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 77.400 12.700 4.064 1.00 0.00 O ATOM 0 H GLU A 11 79.038 8.829 1.223 1.00 0.00 H new ATOM 0 HA GLU A 11 79.497 11.293 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.895 10.981 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.318 12.395 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.894 12.608 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.501 11.253 2.062 1.00 0.00 H new ATOM 174 N ASN A 12 82.102 11.031 0.273 1.00 0.00 N ATOM 175 CA ASN A 12 83.488 10.611 0.179 1.00 0.00 C ATOM 176 C ASN A 12 83.907 9.904 1.466 1.00 0.00 C ATOM 177 O ASN A 12 83.497 10.290 2.561 1.00 0.00 O ATOM 178 CB ASN A 12 84.386 11.825 -0.077 1.00 0.00 C ATOM 179 CG ASN A 12 84.329 12.784 1.107 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.518 12.602 2.015 1.00 0.00 O ATOM 181 ND2 ASN A 12 85.145 13.803 1.151 1.00 0.00 N ATOM 0 H ASN A 12 81.953 12.038 0.203 1.00 0.00 H new ATOM 0 HA ASN A 12 83.594 9.915 -0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.413 11.498 -0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.067 12.337 -0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 12 85.111 14.450 1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.816 13.952 0.397 1.00 0.00 H new ATOM 188 N VAL A 13 84.740 8.874 1.324 1.00 0.00 N ATOM 189 CA VAL A 13 85.238 8.113 2.478 1.00 0.00 C ATOM 190 C VAL A 13 86.761 8.009 2.402 1.00 0.00 C ATOM 191 O VAL A 13 87.317 7.650 1.363 1.00 0.00 O ATOM 192 CB VAL A 13 84.597 6.716 2.490 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.304 5.811 3.502 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.122 6.827 2.886 1.00 0.00 C ATOM 0 H VAL A 13 85.086 8.544 0.423 1.00 0.00 H new ATOM 0 HA VAL A 13 84.969 8.625 3.402 1.00 0.00 H new ATOM 0 HB VAL A 13 84.689 6.289 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.837 4.826 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.356 5.716 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.223 6.246 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.672 5.834 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.044 7.268 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.599 7.458 2.167 1.00 0.00 H new ATOM 204 N GLU A 14 87.435 8.345 3.507 1.00 0.00 N ATOM 205 CA GLU A 14 88.903 8.310 3.562 1.00 0.00 C ATOM 206 C GLU A 14 89.393 7.465 4.737 1.00 0.00 C ATOM 207 O GLU A 14 88.913 7.615 5.859 1.00 0.00 O ATOM 208 CB GLU A 14 89.441 9.734 3.723 1.00 0.00 C ATOM 209 CG GLU A 14 89.143 10.545 2.462 1.00 0.00 C ATOM 210 CD GLU A 14 89.616 11.982 2.641 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.139 12.284 3.699 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 89.453 12.758 1.713 1.00 0.00 O ATOM 0 H GLU A 14 86.990 8.644 4.375 1.00 0.00 H new ATOM 0 HA GLU A 14 89.265 7.866 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 14 88.982 10.210 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 14 90.515 9.708 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 14 89.641 10.094 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 14 88.073 10.529 2.254 1.00 0.00 H new ATOM 219 N ALA A 15 90.364 6.586 4.479 1.00 0.00 N ATOM 220 CA ALA A 15 90.915 5.745 5.542 1.00 0.00 C ATOM 221 C ALA A 15 92.301 5.220 5.168 1.00 0.00 C ATOM 222 O ALA A 15 92.558 4.891 4.013 1.00 0.00 O ATOM 223 CB ALA A 15 89.982 4.562 5.811 1.00 0.00 C ATOM 0 H ALA A 15 90.779 6.440 3.559 1.00 0.00 H new ATOM 0 HA ALA A 15 91.005 6.356 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.400 3.942 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 15 89.004 4.932 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.876 3.968 4.903 1.00 0.00 H new ATOM 229 N LEU A 16 93.188 5.139 6.156 1.00 0.00 N ATOM 230 CA LEU A 16 94.545 4.648 5.923 1.00 0.00 C ATOM 231 C LEU A 16 94.532 3.123 5.798 1.00 0.00 C ATOM 232 O LEU A 16 93.575 2.471 6.213 1.00 0.00 O ATOM 233 CB LEU A 16 95.454 5.079 7.082 1.00 0.00 C ATOM 234 CG LEU A 16 96.938 4.986 6.682 1.00 0.00 C ATOM 235 CD1 LEU A 16 97.283 6.034 5.601 1.00 0.00 C ATOM 236 CD2 LEU A 16 97.795 5.238 7.929 1.00 0.00 C ATOM 0 H LEU A 16 92.994 5.405 7.121 1.00 0.00 H new ATOM 0 HA LEU A 16 94.929 5.071 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 16 95.216 6.102 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.267 4.447 7.950 1.00 0.00 H new ATOM 0 HG LEU A 16 97.137 3.995 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 16 98.337 5.949 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 16 96.670 5.860 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 16 97.086 7.034 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 16 98.850 5.176 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 16 97.578 6.230 8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 16 97.566 4.487 8.686 1.00 0.00 H new ATOM 248 N GLU A 17 95.589 2.559 5.217 1.00 0.00 N ATOM 249 CA GLU A 17 95.666 1.109 5.040 1.00 0.00 C ATOM 250 C GLU A 17 95.325 0.378 6.335 1.00 0.00 C ATOM 251 O GLU A 17 95.744 0.777 7.421 1.00 0.00 O ATOM 252 CB GLU A 17 97.070 0.700 4.578 1.00 0.00 C ATOM 253 CG GLU A 17 97.157 -0.829 4.440 1.00 0.00 C ATOM 254 CD GLU A 17 97.418 -1.481 5.798 1.00 0.00 C ATOM 255 OE1 GLU A 17 98.371 -1.085 6.449 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 96.664 -2.367 6.164 1.00 0.00 O ATOM 0 H GLU A 17 96.395 3.075 4.864 1.00 0.00 H new ATOM 0 HA GLU A 17 94.938 0.829 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.299 1.173 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.813 1.051 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 17 96.229 -1.214 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.955 -1.091 3.746 1.00 0.00 H new ATOM 263 N GLY A 18 94.562 -0.701 6.198 1.00 0.00 N ATOM 264 CA GLY A 18 94.157 -1.504 7.340 1.00 0.00 C ATOM 265 C GLY A 18 93.182 -0.736 8.218 1.00 0.00 C ATOM 266 O GLY A 18 92.998 -1.057 9.393 1.00 0.00 O ATOM 0 H GLY A 18 94.211 -1.039 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.693 -2.428 6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.034 -1.786 7.922 1.00 0.00 H new ATOM 270 N GLY A 19 92.566 0.292 7.643 1.00 0.00 N ATOM 271 CA GLY A 19 91.619 1.118 8.383 1.00 0.00 C ATOM 272 C GLY A 19 90.219 0.528 8.329 1.00 0.00 C ATOM 273 O GLY A 19 90.020 -0.594 7.864 1.00 0.00 O ATOM 0 H GLY A 19 92.705 0.572 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.941 1.204 9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.609 2.126 7.968 1.00 0.00 H new ATOM 277 N GLU A 20 89.249 1.300 8.808 1.00 0.00 N ATOM 278 CA GLU A 20 87.854 0.869 8.817 1.00 0.00 C ATOM 279 C GLU A 20 87.009 1.895 8.076 1.00 0.00 C ATOM 280 O GLU A 20 87.270 3.095 8.157 1.00 0.00 O ATOM 281 CB GLU A 20 87.366 0.739 10.257 1.00 0.00 C ATOM 282 CG GLU A 20 85.985 0.089 10.268 1.00 0.00 C ATOM 283 CD GLU A 20 85.494 -0.071 11.703 1.00 0.00 C ATOM 284 OE1 GLU A 20 86.304 0.070 12.604 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 84.316 -0.330 11.878 1.00 0.00 O ATOM 0 H GLU A 20 89.403 2.230 9.196 1.00 0.00 H new ATOM 0 HA GLU A 20 87.766 -0.099 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.067 0.139 10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.321 1.721 10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.282 0.699 9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 20 86.028 -0.884 9.779 1.00 0.00 H new ATOM 292 N ALA A 21 86.007 1.428 7.332 1.00 0.00 N ATOM 293 CA ALA A 21 85.158 2.342 6.565 1.00 0.00 C ATOM 294 C ALA A 21 83.695 1.932 6.634 1.00 0.00 C ATOM 295 O ALA A 21 83.361 0.748 6.555 1.00 0.00 O ATOM 296 CB ALA A 21 85.613 2.345 5.103 1.00 0.00 C ATOM 0 H ALA A 21 85.765 0.441 7.243 1.00 0.00 H new ATOM 0 HA ALA A 21 85.253 3.339 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.984 3.024 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.650 2.675 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.529 1.338 4.694 1.00 0.00 H new ATOM 302 N LEU A 22 82.820 2.930 6.767 1.00 0.00 N ATOM 303 CA LEU A 22 81.382 2.681 6.829 1.00 0.00 C ATOM 304 C LEU A 22 80.631 3.755 6.043 1.00 0.00 C ATOM 305 O LEU A 22 80.981 4.934 6.082 1.00 0.00 O ATOM 306 CB LEU A 22 80.877 2.626 8.303 1.00 0.00 C ATOM 307 CG LEU A 22 81.971 3.079 9.281 1.00 0.00 C ATOM 308 CD1 LEU A 22 82.216 4.585 9.129 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.517 2.787 10.715 1.00 0.00 C ATOM 0 H LEU A 22 83.082 3.914 6.833 1.00 0.00 H new ATOM 0 HA LEU A 22 81.186 1.708 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 22 80.000 3.263 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.566 1.610 8.546 1.00 0.00 H new ATOM 0 HG LEU A 22 82.893 2.540 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 22 82.993 4.899 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.534 4.801 8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 22 81.295 5.127 9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 22 82.290 3.107 11.414 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.594 3.329 10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 22 81.343 1.717 10.831 1.00 0.00 H new ATOM 321 N PHE A 23 79.592 3.325 5.331 1.00 0.00 N ATOM 322 CA PHE A 23 78.771 4.230 4.526 1.00 0.00 C ATOM 323 C PHE A 23 77.371 4.363 5.126 1.00 0.00 C ATOM 324 O PHE A 23 76.567 3.434 5.050 1.00 0.00 O ATOM 325 CB PHE A 23 78.657 3.679 3.094 1.00 0.00 C ATOM 326 CG PHE A 23 79.890 4.025 2.285 1.00 0.00 C ATOM 327 CD1 PHE A 23 79.969 5.264 1.636 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.942 3.106 2.169 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.099 5.586 0.876 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.072 3.429 1.407 1.00 0.00 C ATOM 331 CZ PHE A 23 82.151 4.669 0.761 1.00 0.00 C ATOM 0 H PHE A 23 79.296 2.349 5.295 1.00 0.00 H new ATOM 0 HA PHE A 23 79.244 5.212 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.529 2.597 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.772 4.091 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.157 5.971 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 23 80.881 2.150 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.160 6.542 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 23 82.883 2.721 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.023 4.918 0.174 1.00 0.00 H new ATOM 341 N GLU A 24 77.094 5.525 5.728 1.00 0.00 N ATOM 342 CA GLU A 24 75.789 5.778 6.348 1.00 0.00 C ATOM 343 C GLU A 24 74.899 6.598 5.422 1.00 0.00 C ATOM 344 O GLU A 24 75.121 7.793 5.221 1.00 0.00 O ATOM 345 CB GLU A 24 75.975 6.543 7.668 1.00 0.00 C ATOM 346 CG GLU A 24 76.489 5.595 8.751 1.00 0.00 C ATOM 347 CD GLU A 24 76.839 6.383 10.009 1.00 0.00 C ATOM 348 OE1 GLU A 24 76.681 7.592 9.990 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 77.262 5.765 10.973 1.00 0.00 O ATOM 0 H GLU A 24 77.752 6.301 5.799 1.00 0.00 H new ATOM 0 HA GLU A 24 75.314 4.816 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.679 7.363 7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 24 75.028 6.985 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.731 4.846 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.368 5.060 8.391 1.00 0.00 H new ATOM 356 N CYS A 25 73.879 5.944 4.871 1.00 0.00 N ATOM 357 CA CYS A 25 72.933 6.605 3.971 1.00 0.00 C ATOM 358 C CYS A 25 71.531 6.534 4.559 1.00 0.00 C ATOM 359 O CYS A 25 71.105 5.486 5.054 1.00 0.00 O ATOM 360 CB CYS A 25 72.959 5.922 2.598 1.00 0.00 C ATOM 361 SG CYS A 25 73.136 4.133 2.817 1.00 0.00 S ATOM 0 H CYS A 25 73.685 4.956 5.031 1.00 0.00 H new ATOM 0 HA CYS A 25 73.219 7.650 3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 25 72.042 6.143 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 25 73.786 6.310 2.003 1.00 0.00 H new ATOM 0 HG CYS A 25 72.822 3.812 4.037 1.00 0.00 H new ATOM 367 N GLN A 26 70.815 7.653 4.495 1.00 0.00 N ATOM 368 CA GLN A 26 69.453 7.725 5.014 1.00 0.00 C ATOM 369 C GLN A 26 68.476 7.720 3.846 1.00 0.00 C ATOM 370 O GLN A 26 68.452 8.643 3.035 1.00 0.00 O ATOM 371 CB GLN A 26 69.283 9.000 5.837 1.00 0.00 C ATOM 372 CG GLN A 26 67.871 9.058 6.403 1.00 0.00 C ATOM 373 CD GLN A 26 67.750 10.219 7.385 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.759 10.702 7.902 1.00 0.00 O ATOM 375 NE2 GLN A 26 66.573 10.700 7.674 1.00 0.00 N ATOM 0 H GLN A 26 71.156 8.524 4.088 1.00 0.00 H new ATOM 0 HA GLN A 26 69.255 6.866 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 26 70.012 9.022 6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 26 69.472 9.875 5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 26 67.151 9.179 5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 26 67.633 8.120 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 26 65.739 10.299 7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 26 66.486 11.477 8.329 1.00 0.00 H new ATOM 384 N LEU A 27 67.703 6.645 3.749 1.00 0.00 N ATOM 385 CA LEU A 27 66.743 6.467 2.657 1.00 0.00 C ATOM 386 C LEU A 27 65.308 6.407 3.194 1.00 0.00 C ATOM 387 O LEU A 27 65.023 5.689 4.152 1.00 0.00 O ATOM 388 CB LEU A 27 67.148 5.177 1.919 1.00 0.00 C ATOM 389 CG LEU A 27 65.975 4.581 1.112 1.00 0.00 C ATOM 390 CD1 LEU A 27 66.541 3.740 -0.045 1.00 0.00 C ATOM 391 CD2 LEU A 27 65.076 3.688 2.012 1.00 0.00 C ATOM 0 H LEU A 27 67.720 5.875 4.418 1.00 0.00 H new ATOM 0 HA LEU A 27 66.763 7.311 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 27 67.980 5.389 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.502 4.442 2.642 1.00 0.00 H new ATOM 0 HG LEU A 27 65.365 5.397 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 27 65.719 3.314 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 27 67.148 4.373 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 27 67.157 2.936 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 27 64.257 3.281 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.669 2.870 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.670 4.286 2.828 1.00 0.00 H new ATOM 403 N SER A 28 64.413 7.192 2.575 1.00 0.00 N ATOM 404 CA SER A 28 63.007 7.245 3.004 1.00 0.00 C ATOM 405 C SER A 28 62.140 6.310 2.167 1.00 0.00 C ATOM 406 O SER A 28 61.600 6.703 1.141 1.00 0.00 O ATOM 407 CB SER A 28 62.473 8.670 2.869 1.00 0.00 C ATOM 408 OG SER A 28 62.259 8.960 1.497 1.00 0.00 O ATOM 0 H SER A 28 64.635 7.794 1.782 1.00 0.00 H new ATOM 0 HA SER A 28 62.965 6.927 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 28 61.542 8.776 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 28 63.182 9.379 3.297 1.00 0.00 H new ATOM 0 HG SER A 28 63.115 8.935 1.020 1.00 0.00 H new ATOM 414 N GLN A 29 62.015 5.079 2.634 1.00 0.00 N ATOM 415 CA GLN A 29 61.229 4.048 1.966 1.00 0.00 C ATOM 416 C GLN A 29 61.331 2.752 2.785 1.00 0.00 C ATOM 417 O GLN A 29 62.342 2.057 2.702 1.00 0.00 O ATOM 418 CB GLN A 29 61.788 3.795 0.562 1.00 0.00 C ATOM 419 CG GLN A 29 60.804 2.947 -0.231 1.00 0.00 C ATOM 420 CD GLN A 29 61.426 2.550 -1.566 1.00 0.00 C ATOM 421 OE1 GLN A 29 60.792 1.867 -2.371 1.00 0.00 O ATOM 422 NE2 GLN A 29 62.640 2.941 -1.849 1.00 0.00 N ATOM 0 H GLN A 29 62.459 4.761 3.495 1.00 0.00 H new ATOM 0 HA GLN A 29 60.191 4.371 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.961 4.743 0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.751 3.288 0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 29 60.538 2.055 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 29 59.883 3.504 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 29 63.163 3.507 -1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 29 63.065 2.681 -2.739 1.00 0.00 H new ATOM 431 N PRO A 30 60.344 2.418 3.587 1.00 0.00 N ATOM 432 CA PRO A 30 60.415 1.188 4.427 1.00 0.00 C ATOM 433 C PRO A 30 60.505 -0.100 3.596 1.00 0.00 C ATOM 434 O PRO A 30 60.963 -1.128 4.095 1.00 0.00 O ATOM 435 CB PRO A 30 59.146 1.222 5.312 1.00 0.00 C ATOM 436 CG PRO A 30 58.377 2.475 4.954 1.00 0.00 C ATOM 437 CD PRO A 30 59.087 3.160 3.773 1.00 0.00 C ATOM 0 HA PRO A 30 61.325 1.179 5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 30 58.535 0.335 5.141 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.415 1.226 6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.350 2.226 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.329 3.148 5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.474 3.125 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.280 4.211 3.987 1.00 0.00 H new ATOM 445 N GLU A 31 60.086 -0.047 2.332 1.00 0.00 N ATOM 446 CA GLU A 31 60.155 -1.232 1.468 1.00 0.00 C ATOM 447 C GLU A 31 60.377 -0.825 0.015 1.00 0.00 C ATOM 448 O GLU A 31 59.722 0.085 -0.492 1.00 0.00 O ATOM 449 CB GLU A 31 58.858 -2.041 1.581 1.00 0.00 C ATOM 450 CG GLU A 31 58.969 -3.321 0.744 1.00 0.00 C ATOM 451 CD GLU A 31 57.691 -4.143 0.878 1.00 0.00 C ATOM 452 OE1 GLU A 31 56.744 -3.639 1.460 1.00 0.00 O ATOM 453 OE2 GLU A 31 57.675 -5.260 0.389 1.00 0.00 O1- ATOM 0 H GLU A 31 59.701 0.786 1.887 1.00 0.00 H new ATOM 0 HA GLU A 31 60.995 -1.846 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.666 -2.293 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.014 -1.443 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 31 59.141 -3.068 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 31 59.826 -3.908 1.074 1.00 0.00 H new ATOM 496 N HIS A 35 65.876 -3.022 -5.801 1.00 0.00 N ATOM 497 CA HIS A 35 67.106 -2.431 -5.281 1.00 0.00 C ATOM 498 C HIS A 35 68.304 -3.318 -5.606 1.00 0.00 C ATOM 499 O HIS A 35 68.296 -4.521 -5.339 1.00 0.00 O ATOM 500 CB HIS A 35 66.993 -2.251 -3.768 1.00 0.00 C ATOM 501 CG HIS A 35 66.518 -3.537 -3.156 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.224 -3.999 -3.331 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.149 -4.470 -2.372 1.00 0.00 C ATOM 504 CE1 HIS A 35 65.116 -5.164 -2.667 1.00 0.00 C ATOM 505 NE2 HIS A 35 66.262 -5.497 -2.064 1.00 0.00 N ATOM 0 HA HIS A 35 67.253 -1.459 -5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.959 -1.969 -3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 35 66.298 -1.444 -3.536 1.00 0.00 H new ATOM 0 HD1 HIS A 35 64.487 -3.540 -3.866 1.00 0.00 H new ATOM 0 HD2 HIS A 35 68.177 -4.416 -2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 35 64.215 -5.757 -2.626 1.00 0.00 H new ATOM 513 N THR A 36 69.332 -2.706 -6.185 1.00 0.00 N ATOM 514 CA THR A 36 70.557 -3.412 -6.559 1.00 0.00 C ATOM 515 C THR A 36 71.760 -2.616 -6.052 1.00 0.00 C ATOM 516 O THR A 36 71.795 -1.402 -6.201 1.00 0.00 O ATOM 517 CB THR A 36 70.613 -3.545 -8.084 1.00 0.00 C ATOM 518 OG1 THR A 36 69.374 -4.063 -8.549 1.00 0.00 O ATOM 519 CG2 THR A 36 71.737 -4.503 -8.488 1.00 0.00 C ATOM 0 H THR A 36 69.342 -1.711 -6.408 1.00 0.00 H new ATOM 0 HA THR A 36 70.572 -4.408 -6.116 1.00 0.00 H new ATOM 0 HB THR A 36 70.802 -2.565 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.401 -4.150 -9.525 1.00 0.00 H new ATOM 0 HG21 THR A 36 71.768 -4.590 -9.574 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.691 -4.117 -8.128 1.00 0.00 H new ATOM 0 HG23 THR A 36 71.554 -5.484 -8.050 1.00 0.00 H new ATOM 527 N TRP A 37 72.734 -3.292 -5.436 1.00 0.00 N ATOM 528 CA TRP A 37 73.921 -2.603 -4.894 1.00 0.00 C ATOM 529 C TRP A 37 75.215 -3.201 -5.439 1.00 0.00 C ATOM 530 O TRP A 37 75.662 -4.252 -4.983 1.00 0.00 O ATOM 531 CB TRP A 37 73.918 -2.711 -3.361 1.00 0.00 C ATOM 532 CG TRP A 37 74.799 -1.659 -2.732 1.00 0.00 C ATOM 533 CD1 TRP A 37 76.010 -1.234 -3.191 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.548 -0.896 -1.514 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.503 -0.273 -2.332 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.640 -0.028 -1.288 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.484 -0.875 -0.595 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.680 0.829 -0.190 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.520 -0.012 0.513 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.615 0.839 0.715 1.00 0.00 C ATOM 0 H TRP A 37 72.731 -4.303 -5.298 1.00 0.00 H new ATOM 0 HA TRP A 37 73.874 -1.558 -5.201 1.00 0.00 H new ATOM 0 HB2 TRP A 37 72.899 -2.604 -2.989 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.263 -3.701 -3.064 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.504 -1.591 -4.083 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.399 0.199 -2.456 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.635 -1.526 -0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.528 1.481 -0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 72.698 -0.004 1.214 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.636 1.501 1.568 1.00 0.00 H new ATOM 551 N LEU A 38 75.831 -2.499 -6.395 1.00 0.00 N ATOM 552 CA LEU A 38 77.102 -2.946 -6.979 1.00 0.00 C ATOM 553 C LEU A 38 78.164 -1.850 -6.884 1.00 0.00 C ATOM 554 O LEU A 38 78.035 -0.784 -7.490 1.00 0.00 O ATOM 555 CB LEU A 38 76.917 -3.325 -8.450 1.00 0.00 C ATOM 556 CG LEU A 38 75.877 -4.445 -8.590 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.692 -4.763 -10.078 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.351 -5.711 -7.854 1.00 0.00 C ATOM 0 H LEU A 38 75.474 -1.624 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 38 77.431 -3.818 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.599 -2.452 -9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.869 -3.650 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 38 74.934 -4.118 -8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.955 -5.558 -10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.347 -3.871 -10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.643 -5.087 -10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.603 -6.496 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.295 -6.048 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.491 -5.486 -6.797 1.00 0.00 H new ATOM 570 N LEU A 39 79.228 -2.138 -6.134 1.00 0.00 N ATOM 571 CA LEU A 39 80.336 -1.209 -5.969 1.00 0.00 C ATOM 572 C LEU A 39 81.420 -1.728 -6.881 1.00 0.00 C ATOM 573 O LEU A 39 81.259 -1.708 -8.100 1.00 0.00 O ATOM 574 CB LEU A 39 80.797 -1.158 -4.485 1.00 0.00 C ATOM 575 CG LEU A 39 80.351 -2.411 -3.717 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.130 -3.640 -4.202 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.631 -2.207 -2.227 1.00 0.00 C ATOM 0 H LEU A 39 79.342 -3.017 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 39 80.063 -0.185 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 39 81.883 -1.070 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.386 -0.270 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 39 79.287 -2.571 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.803 -4.520 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 39 80.946 -3.791 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.196 -3.483 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.317 -3.092 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.698 -2.044 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.077 -1.339 -1.868 1.00 0.00 H new ATOM 589 N ASP A 40 82.484 -2.270 -6.321 1.00 0.00 N ATOM 590 CA ASP A 40 83.492 -2.862 -7.147 1.00 0.00 C ATOM 591 C ASP A 40 82.772 -3.911 -7.982 1.00 0.00 C ATOM 592 O ASP A 40 81.615 -4.229 -7.709 1.00 0.00 O ATOM 593 CB ASP A 40 84.605 -3.490 -6.297 1.00 0.00 C ATOM 594 CG ASP A 40 84.914 -2.596 -5.098 1.00 0.00 C ATOM 595 OD1 ASP A 40 84.354 -1.514 -5.025 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 85.704 -3.009 -4.266 1.00 0.00 O ATOM 0 H ASP A 40 82.662 -2.308 -5.317 1.00 0.00 H new ATOM 0 HA ASP A 40 83.982 -2.120 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 40 84.299 -4.478 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.502 -3.626 -6.901 1.00 0.00 H new ATOM 601 N ASP A 41 83.402 -4.388 -9.010 1.00 0.00 N ATOM 602 CA ASP A 41 82.757 -5.340 -9.900 1.00 0.00 C ATOM 603 C ASP A 41 82.432 -6.665 -9.207 1.00 0.00 C ATOM 604 O ASP A 41 82.426 -7.713 -9.855 1.00 0.00 O ATOM 605 CB ASP A 41 83.665 -5.607 -11.101 1.00 0.00 C ATOM 606 CG ASP A 41 83.704 -4.382 -12.008 1.00 0.00 C ATOM 607 OD1 ASP A 41 82.935 -3.466 -11.767 1.00 0.00 O1- ATOM 608 OD2 ASP A 41 84.502 -4.377 -12.931 1.00 0.00 O ATOM 0 H ASP A 41 84.359 -4.143 -9.265 1.00 0.00 H new ATOM 0 HA ASP A 41 81.813 -4.899 -10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.671 -5.849 -10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.301 -6.470 -11.658 1.00 0.00 H new ATOM 613 N GLU A 42 82.123 -6.627 -7.897 1.00 0.00 N ATOM 614 CA GLU A 42 81.758 -7.856 -7.171 1.00 0.00 C ATOM 615 C GLU A 42 80.510 -7.608 -6.314 1.00 0.00 C ATOM 616 O GLU A 42 80.352 -6.522 -5.759 1.00 0.00 O ATOM 617 CB GLU A 42 82.908 -8.318 -6.265 1.00 0.00 C ATOM 618 CG GLU A 42 84.101 -8.732 -7.128 1.00 0.00 C ATOM 619 CD GLU A 42 85.353 -8.851 -6.266 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.551 -9.905 -5.687 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 86.095 -7.885 -6.198 1.00 0.00 O ATOM 0 H GLU A 42 82.118 -5.779 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 42 81.553 -8.634 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.197 -7.515 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.584 -9.155 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.894 -9.684 -7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.262 -7.998 -7.917 1.00 0.00 H new ATOM 628 N PRO A 43 79.622 -8.575 -6.183 1.00 0.00 N ATOM 629 CA PRO A 43 78.400 -8.388 -5.359 1.00 0.00 C ATOM 630 C PRO A 43 78.794 -7.943 -3.956 1.00 0.00 C ATOM 631 O PRO A 43 79.722 -8.501 -3.368 1.00 0.00 O ATOM 632 CB PRO A 43 77.713 -9.775 -5.320 1.00 0.00 C ATOM 633 CG PRO A 43 78.560 -10.718 -6.141 1.00 0.00 C ATOM 634 CD PRO A 43 79.692 -9.909 -6.798 1.00 0.00 C ATOM 0 HA PRO A 43 77.735 -7.627 -5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.625 -10.132 -4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.703 -9.715 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.973 -11.504 -5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.953 -11.208 -6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.662 -10.374 -6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.559 -9.852 -7.878 1.00 0.00 H new ATOM 642 N VAL A 44 78.113 -6.939 -3.415 1.00 0.00 N ATOM 643 CA VAL A 44 78.458 -6.465 -2.083 1.00 0.00 C ATOM 644 C VAL A 44 77.734 -7.276 -1.020 1.00 0.00 C ATOM 645 O VAL A 44 76.692 -6.888 -0.494 1.00 0.00 O ATOM 646 CB VAL A 44 78.132 -4.979 -1.949 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.643 -4.712 -2.220 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.507 -4.512 -0.543 1.00 0.00 C ATOM 0 H VAL A 44 77.339 -6.450 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 44 79.530 -6.597 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 44 78.707 -4.422 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.440 -3.646 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.394 -5.033 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 44 76.038 -5.267 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 44 78.277 -3.452 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 44 77.938 -5.081 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.573 -4.670 -0.379 1.00 0.00 H new ATOM 658 N ARG A 45 78.339 -8.406 -0.705 1.00 0.00 N ATOM 659 CA ARG A 45 77.835 -9.317 0.307 1.00 0.00 C ATOM 660 C ARG A 45 79.056 -9.952 0.955 1.00 0.00 C ATOM 661 O ARG A 45 79.627 -9.405 1.881 1.00 0.00 O ATOM 662 CB ARG A 45 76.922 -10.368 -0.351 1.00 0.00 C ATOM 663 CG ARG A 45 76.406 -11.381 0.687 1.00 0.00 C ATOM 664 CD ARG A 45 75.234 -10.782 1.472 1.00 0.00 C ATOM 665 NE ARG A 45 74.692 -11.771 2.395 1.00 0.00 N ATOM 666 CZ ARG A 45 74.020 -11.404 3.483 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.697 -10.153 3.658 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 73.683 -12.292 4.375 1.00 0.00 N ATOM 0 H ARG A 45 79.202 -8.721 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 45 77.234 -8.807 1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 45 76.078 -9.872 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.471 -10.892 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 45 76.089 -12.296 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 45 77.210 -11.654 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 45 75.567 -9.903 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.456 -10.451 0.784 1.00 0.00 H new ATOM 0 HE ARG A 45 74.830 -12.763 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 45 73.959 -9.456 2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 45 73.182 -9.871 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 45 73.934 -13.271 4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 45 73.168 -12.008 5.208 1.00 0.00 H new ATOM 682 N THR A 46 79.471 -11.084 0.416 1.00 0.00 N ATOM 683 CA THR A 46 80.666 -11.782 0.892 1.00 0.00 C ATOM 684 C THR A 46 80.557 -12.215 2.366 1.00 0.00 C ATOM 685 O THR A 46 79.598 -12.886 2.748 1.00 0.00 O ATOM 686 CB THR A 46 81.904 -10.885 0.664 1.00 0.00 C ATOM 687 OG1 THR A 46 82.101 -10.035 1.786 1.00 0.00 O ATOM 688 CG2 THR A 46 81.702 -10.018 -0.589 1.00 0.00 C ATOM 0 H THR A 46 78.998 -11.548 -0.359 1.00 0.00 H new ATOM 0 HA THR A 46 80.768 -12.703 0.318 1.00 0.00 H new ATOM 0 HB THR A 46 82.776 -11.525 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.241 -9.659 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.579 -9.389 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.561 -10.661 -1.458 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.822 -9.388 -0.457 1.00 0.00 H new ATOM 696 N SER A 47 81.564 -11.860 3.182 1.00 0.00 N ATOM 697 CA SER A 47 81.587 -12.256 4.604 1.00 0.00 C ATOM 698 C SER A 47 81.824 -11.060 5.533 1.00 0.00 C ATOM 699 O SER A 47 81.387 -9.952 5.263 1.00 0.00 O ATOM 700 CB SER A 47 82.695 -13.284 4.824 1.00 0.00 C ATOM 701 OG SER A 47 82.667 -14.238 3.769 1.00 0.00 O ATOM 0 H SER A 47 82.367 -11.305 2.887 1.00 0.00 H new ATOM 0 HA SER A 47 80.612 -12.680 4.844 1.00 0.00 H new ATOM 0 HB2 SER A 47 83.665 -12.789 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 47 82.559 -13.782 5.784 1.00 0.00 H new ATOM 0 HG SER A 47 83.378 -14.898 3.906 1.00 0.00 H new ATOM 707 N GLU A 48 82.485 -11.305 6.659 1.00 0.00 N ATOM 708 CA GLU A 48 82.732 -10.244 7.634 1.00 0.00 C ATOM 709 C GLU A 48 83.599 -9.120 7.052 1.00 0.00 C ATOM 710 O GLU A 48 83.377 -7.946 7.348 1.00 0.00 O ATOM 711 CB GLU A 48 83.394 -10.829 8.888 1.00 0.00 C ATOM 712 CG GLU A 48 84.615 -11.667 8.500 1.00 0.00 C ATOM 713 CD GLU A 48 85.263 -12.241 9.755 1.00 0.00 C ATOM 714 OE1 GLU A 48 84.856 -11.853 10.837 1.00 0.00 O ATOM 715 OE2 GLU A 48 86.163 -13.054 9.618 1.00 0.00 O1- ATOM 0 H GLU A 48 82.857 -12.218 6.920 1.00 0.00 H new ATOM 0 HA GLU A 48 81.769 -9.808 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 48 83.695 -10.024 9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 48 82.678 -11.446 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 48 84.317 -12.474 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 48 85.333 -11.052 7.957 1.00 0.00 H new ATOM 722 N ASN A 49 84.592 -9.479 6.246 1.00 0.00 N ATOM 723 CA ASN A 49 85.485 -8.475 5.658 1.00 0.00 C ATOM 724 C ASN A 49 84.747 -7.599 4.643 1.00 0.00 C ATOM 725 O ASN A 49 85.356 -6.796 3.935 1.00 0.00 O ATOM 726 CB ASN A 49 86.674 -9.162 4.987 1.00 0.00 C ATOM 727 CG ASN A 49 87.586 -9.761 6.053 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.583 -9.305 7.197 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.361 -10.765 5.751 1.00 0.00 N ATOM 0 H ASN A 49 84.801 -10.442 5.985 1.00 0.00 H new ATOM 0 HA ASN A 49 85.844 -7.832 6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.323 -9.944 4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.228 -8.444 4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 49 88.966 -11.174 6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.362 -11.141 4.803 1.00 0.00 H new ATOM 736 N ALA A 50 83.432 -7.756 4.594 1.00 0.00 N ATOM 737 CA ALA A 50 82.586 -6.982 3.686 1.00 0.00 C ATOM 738 C ALA A 50 81.186 -7.574 3.715 1.00 0.00 C ATOM 739 O ALA A 50 81.029 -8.757 3.462 1.00 0.00 O ATOM 740 CB ALA A 50 83.155 -7.018 2.257 1.00 0.00 C ATOM 0 H ALA A 50 82.920 -8.418 5.177 1.00 0.00 H new ATOM 0 HA ALA A 50 82.556 -5.940 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.513 -6.437 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.159 -6.593 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.197 -8.050 1.908 1.00 0.00 H new ATOM 746 N GLU A 51 80.178 -6.738 3.978 1.00 0.00 N ATOM 747 CA GLU A 51 78.779 -7.186 4.004 1.00 0.00 C ATOM 748 C GLU A 51 77.877 -6.021 4.387 1.00 0.00 C ATOM 749 O GLU A 51 78.294 -5.130 5.129 1.00 0.00 O ATOM 750 CB GLU A 51 78.574 -8.324 5.016 1.00 0.00 C ATOM 751 CG GLU A 51 77.121 -8.810 4.949 1.00 0.00 C ATOM 752 CD GLU A 51 76.924 -9.994 5.890 1.00 0.00 C ATOM 753 OE1 GLU A 51 77.817 -10.255 6.679 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 75.884 -10.628 5.803 1.00 0.00 O ATOM 0 H GLU A 51 80.303 -5.745 4.177 1.00 0.00 H new ATOM 0 HA GLU A 51 78.527 -7.553 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.255 -9.147 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.807 -7.977 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.445 -8.000 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.873 -9.101 3.928 1.00 0.00 H new ATOM 761 N VAL A 52 76.643 -6.015 3.880 1.00 0.00 N ATOM 762 CA VAL A 52 75.694 -4.944 4.177 1.00 0.00 C ATOM 763 C VAL A 52 74.769 -5.352 5.327 1.00 0.00 C ATOM 764 O VAL A 52 74.520 -6.537 5.539 1.00 0.00 O ATOM 765 CB VAL A 52 74.848 -4.671 2.926 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.201 -3.289 3.029 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.733 -4.729 1.677 1.00 0.00 C ATOM 0 H VAL A 52 76.279 -6.740 3.262 1.00 0.00 H new ATOM 0 HA VAL A 52 76.245 -4.050 4.468 1.00 0.00 H new ATOM 0 HB VAL A 52 74.069 -5.430 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.602 -3.101 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.562 -3.251 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.978 -2.529 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.127 -4.534 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.518 -3.976 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.185 -5.718 1.597 1.00 0.00 H new ATOM 777 N VAL A 53 74.262 -4.366 6.067 1.00 0.00 N ATOM 778 CA VAL A 53 73.360 -4.635 7.194 1.00 0.00 C ATOM 779 C VAL A 53 72.157 -3.690 7.161 1.00 0.00 C ATOM 780 O VAL A 53 72.289 -2.506 6.844 1.00 0.00 O ATOM 781 CB VAL A 53 74.122 -4.466 8.515 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.993 -5.700 8.766 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.015 -3.228 8.426 1.00 0.00 C ATOM 0 H VAL A 53 74.457 -3.377 5.910 1.00 0.00 H new ATOM 0 HA VAL A 53 72.995 -5.659 7.113 1.00 0.00 H new ATOM 0 HB VAL A 53 73.411 -4.351 9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.534 -5.579 9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.361 -6.586 8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.705 -5.815 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 53 75.559 -3.103 9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 53 75.725 -3.349 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 53 74.399 -2.347 8.244 1.00 0.00 H new ATOM 793 N PHE A 54 70.982 -4.231 7.488 1.00 0.00 N ATOM 794 CA PHE A 54 69.740 -3.451 7.496 1.00 0.00 C ATOM 795 C PHE A 54 69.381 -3.012 8.911 1.00 0.00 C ATOM 796 O PHE A 54 69.566 -3.757 9.872 1.00 0.00 O ATOM 797 CB PHE A 54 68.583 -4.308 6.938 1.00 0.00 C ATOM 798 CG PHE A 54 68.502 -4.188 5.431 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.551 -4.653 4.632 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.368 -3.609 4.837 1.00 0.00 C ATOM 801 CE1 PHE A 54 69.472 -4.542 3.239 1.00 0.00 C ATOM 802 CE2 PHE A 54 67.290 -3.499 3.444 1.00 0.00 C ATOM 803 CZ PHE A 54 68.342 -3.965 2.645 1.00 0.00 C ATOM 0 H PHE A 54 70.863 -5.209 7.752 1.00 0.00 H new ATOM 0 HA PHE A 54 69.892 -2.568 6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.730 -5.351 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 54 67.641 -3.989 7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.422 -5.098 5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 54 66.558 -3.249 5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 54 70.282 -4.901 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 54 66.419 -3.055 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 54 68.282 -3.879 1.570 1.00 0.00 H new ATOM 813 N PHE A 55 68.835 -1.802 9.022 1.00 0.00 N ATOM 814 CA PHE A 55 68.411 -1.271 10.315 1.00 0.00 C ATOM 815 C PHE A 55 67.070 -0.561 10.187 1.00 0.00 C ATOM 816 O PHE A 55 66.846 0.215 9.256 1.00 0.00 O ATOM 817 CB PHE A 55 69.463 -0.302 10.869 1.00 0.00 C ATOM 818 CG PHE A 55 70.632 -1.092 11.402 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.545 -1.689 12.665 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.794 -1.239 10.638 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.618 -2.433 13.165 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.868 -1.982 11.138 1.00 0.00 C ATOM 823 CZ PHE A 55 72.781 -2.580 12.402 1.00 0.00 C ATOM 0 H PHE A 55 68.677 -1.173 8.235 1.00 0.00 H new ATOM 0 HA PHE A 55 68.302 -2.106 11.007 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.796 0.379 10.086 1.00 0.00 H new ATOM 0 HB3 PHE A 55 69.030 0.310 11.661 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.647 -1.575 13.254 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.862 -0.779 9.663 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.549 -2.894 14.139 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.766 -2.095 10.549 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.611 -3.154 12.787 1.00 0.00 H new ATOM 833 N GLU A 56 66.190 -0.827 11.141 1.00 0.00 N ATOM 834 CA GLU A 56 64.876 -0.205 11.153 1.00 0.00 C ATOM 835 C GLU A 56 64.067 -0.590 9.905 1.00 0.00 C ATOM 836 O GLU A 56 63.311 0.213 9.377 1.00 0.00 O ATOM 837 CB GLU A 56 65.043 1.317 11.234 1.00 0.00 C ATOM 838 CG GLU A 56 63.750 1.970 11.739 1.00 0.00 C ATOM 839 CD GLU A 56 63.585 1.694 13.229 1.00 0.00 C ATOM 840 OE1 GLU A 56 64.502 1.138 13.813 1.00 0.00 O ATOM 841 OE2 GLU A 56 62.546 2.042 13.764 1.00 0.00 O1- ATOM 0 H GLU A 56 66.362 -1.468 11.915 1.00 0.00 H new ATOM 0 HA GLU A 56 64.325 -0.561 12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.868 1.564 11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.299 1.714 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 56 63.779 3.045 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 56 62.894 1.578 11.189 1.00 0.00 H new ATOM 848 N ASN A 57 64.209 -1.836 9.462 1.00 0.00 N ATOM 849 CA ASN A 57 63.460 -2.328 8.298 1.00 0.00 C ATOM 850 C ASN A 57 63.843 -1.623 6.988 1.00 0.00 C ATOM 851 O ASN A 57 62.972 -1.295 6.180 1.00 0.00 O ATOM 852 CB ASN A 57 61.957 -2.152 8.539 1.00 0.00 C ATOM 853 CG ASN A 57 61.162 -3.010 7.560 1.00 0.00 C ATOM 854 OD1 ASN A 57 61.553 -3.162 6.404 1.00 0.00 O ATOM 855 ND2 ASN A 57 60.058 -3.580 7.956 1.00 0.00 N ATOM 0 H ASN A 57 64.831 -2.524 9.885 1.00 0.00 H new ATOM 0 HA ASN A 57 63.717 -3.381 8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.710 -2.433 9.563 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.683 -1.104 8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 57 59.518 -4.152 7.307 1.00 0.00 H new ATOM 0 HD22 ASN A 57 59.734 -3.454 8.915 1.00 0.00 H new ATOM 862 N GLY A 58 65.138 -1.424 6.758 1.00 0.00 N ATOM 863 CA GLY A 58 65.600 -0.799 5.514 1.00 0.00 C ATOM 864 C GLY A 58 65.422 0.708 5.504 1.00 0.00 C ATOM 865 O GLY A 58 65.543 1.343 4.455 1.00 0.00 O ATOM 0 H GLY A 58 65.882 -1.682 7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.654 -1.036 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.055 -1.229 4.674 1.00 0.00 H new ATOM 869 N LEU A 59 65.167 1.289 6.660 1.00 0.00 N ATOM 870 CA LEU A 59 65.019 2.734 6.737 1.00 0.00 C ATOM 871 C LEU A 59 66.414 3.356 6.618 1.00 0.00 C ATOM 872 O LEU A 59 66.567 4.545 6.340 1.00 0.00 O ATOM 873 CB LEU A 59 64.343 3.102 8.072 1.00 0.00 C ATOM 874 CG LEU A 59 63.230 4.160 7.890 1.00 0.00 C ATOM 875 CD1 LEU A 59 63.797 5.418 7.219 1.00 0.00 C ATOM 876 CD2 LEU A 59 62.070 3.589 7.046 1.00 0.00 C ATOM 0 H LEU A 59 65.059 0.796 7.546 1.00 0.00 H new ATOM 0 HA LEU A 59 64.391 3.116 5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.919 2.205 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.094 3.482 8.765 1.00 0.00 H new ATOM 0 HG LEU A 59 62.846 4.426 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 59 63.003 6.155 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 59 64.588 5.837 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 59 64.203 5.157 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 59 61.297 4.348 6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.443 3.297 6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 59 61.650 2.717 7.548 1.00 0.00 H new ATOM 888 N ARG A 60 67.421 2.503 6.817 1.00 0.00 N ATOM 889 CA ARG A 60 68.826 2.898 6.723 1.00 0.00 C ATOM 890 C ARG A 60 69.663 1.713 6.249 1.00 0.00 C ATOM 891 O ARG A 60 69.259 0.559 6.403 1.00 0.00 O ATOM 892 CB ARG A 60 69.357 3.372 8.082 1.00 0.00 C ATOM 893 CG ARG A 60 68.817 4.765 8.402 1.00 0.00 C ATOM 894 CD ARG A 60 69.288 5.178 9.796 1.00 0.00 C ATOM 895 NE ARG A 60 70.742 5.306 9.815 1.00 0.00 N ATOM 896 CZ ARG A 60 71.402 5.498 10.953 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.054 6.468 11.753 1.00 0.00 N ATOM 898 NH2 ARG A 60 72.405 4.723 11.264 1.00 0.00 N1+ ATOM 0 H ARG A 60 67.284 1.519 7.048 1.00 0.00 H new ATOM 0 HA ARG A 60 68.900 3.720 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.060 2.671 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.447 3.391 8.069 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.166 5.483 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.728 4.765 8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.828 6.125 10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 60 68.970 4.438 10.530 1.00 0.00 H new ATOM 0 HE ARG A 60 71.261 5.247 8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 60 70.276 7.079 11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.560 6.615 12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 60 72.682 3.970 10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 60 72.912 4.870 12.137 1.00 0.00 H new ATOM 912 N HIS A 61 70.843 1.998 5.702 1.00 0.00 N ATOM 913 CA HIS A 61 71.737 0.935 5.239 1.00 0.00 C ATOM 914 C HIS A 61 73.189 1.313 5.514 1.00 0.00 C ATOM 915 O HIS A 61 73.632 2.416 5.185 1.00 0.00 O ATOM 916 CB HIS A 61 71.539 0.684 3.743 1.00 0.00 C ATOM 917 CG HIS A 61 70.076 0.479 3.459 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.230 1.534 3.165 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.291 -0.650 3.428 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.998 1.029 2.975 1.00 0.00 C ATOM 921 NE2 HIS A 61 67.979 -0.298 3.123 1.00 0.00 N ATOM 0 H HIS A 61 71.201 2.944 5.569 1.00 0.00 H new ATOM 0 HA HIS A 61 71.498 0.021 5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.917 1.529 3.168 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.107 -0.193 3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.639 -1.656 3.612 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.130 1.624 2.732 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.176 -0.920 3.032 1.00 0.00 H new ATOM 929 N LEU A 62 73.928 0.380 6.121 1.00 0.00 N ATOM 930 CA LEU A 62 75.342 0.599 6.446 1.00 0.00 C ATOM 931 C LEU A 62 76.200 -0.510 5.839 1.00 0.00 C ATOM 932 O LEU A 62 75.907 -1.692 6.005 1.00 0.00 O ATOM 933 CB LEU A 62 75.541 0.625 7.976 1.00 0.00 C ATOM 934 CG LEU A 62 75.206 2.014 8.550 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.694 2.312 8.443 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.644 2.053 10.022 1.00 0.00 C ATOM 0 H LEU A 62 73.571 -0.535 6.398 1.00 0.00 H new ATOM 0 HA LEU A 62 75.647 1.559 6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.906 -0.128 8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.572 0.366 8.217 1.00 0.00 H new ATOM 0 HG LEU A 62 75.735 2.774 7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 62 73.488 3.299 8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 62 73.391 2.286 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.135 1.561 9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 62 75.414 3.031 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.112 1.282 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.717 1.873 10.087 1.00 0.00 H new ATOM 948 N LEU A 63 77.269 -0.120 5.145 1.00 0.00 N ATOM 949 CA LEU A 63 78.181 -1.093 4.523 1.00 0.00 C ATOM 950 C LEU A 63 79.548 -1.018 5.190 1.00 0.00 C ATOM 951 O LEU A 63 80.229 0.002 5.096 1.00 0.00 O ATOM 952 CB LEU A 63 78.298 -0.785 3.020 1.00 0.00 C ATOM 953 CG LEU A 63 79.513 -1.500 2.399 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.488 -2.996 2.754 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.487 -1.317 0.870 1.00 0.00 C ATOM 0 H LEU A 63 77.528 0.855 4.997 1.00 0.00 H new ATOM 0 HA LEU A 63 77.789 -2.102 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.388 -1.099 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.391 0.291 2.873 1.00 0.00 H new ATOM 0 HG LEU A 63 80.429 -1.065 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 63 80.352 -3.490 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.521 -3.114 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.574 -3.446 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.346 -1.822 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.568 -1.744 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.528 -0.255 0.630 1.00 0.00 H new ATOM 967 N LEU A 64 79.944 -2.089 5.890 1.00 0.00 N ATOM 968 CA LEU A 64 81.229 -2.111 6.596 1.00 0.00 C ATOM 969 C LEU A 64 82.198 -3.124 5.990 1.00 0.00 C ATOM 970 O LEU A 64 81.882 -4.307 5.847 1.00 0.00 O ATOM 971 CB LEU A 64 80.970 -2.470 8.065 1.00 0.00 C ATOM 972 CG LEU A 64 82.288 -2.570 8.847 1.00 0.00 C ATOM 973 CD1 LEU A 64 83.071 -1.253 8.744 1.00 0.00 C ATOM 974 CD2 LEU A 64 81.966 -2.867 10.315 1.00 0.00 C ATOM 0 H LEU A 64 79.397 -2.945 5.982 1.00 0.00 H new ATOM 0 HA LEU A 64 81.687 -1.126 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.329 -1.715 8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.436 -3.418 8.123 1.00 0.00 H new ATOM 0 HG LEU A 64 82.900 -3.369 8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 64 84.003 -1.339 9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 64 83.294 -1.043 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 64 82.473 -0.441 9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 64 82.893 -2.941 10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.353 -2.063 10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.422 -3.809 10.385 1.00 0.00 H new ATOM 986 N LEU A 65 83.398 -2.641 5.673 1.00 0.00 N ATOM 987 CA LEU A 65 84.462 -3.475 5.120 1.00 0.00 C ATOM 988 C LEU A 65 85.773 -3.122 5.824 1.00 0.00 C ATOM 989 O LEU A 65 86.062 -1.941 6.047 1.00 0.00 O ATOM 990 CB LEU A 65 84.589 -3.269 3.598 1.00 0.00 C ATOM 991 CG LEU A 65 84.520 -1.765 3.232 1.00 0.00 C ATOM 992 CD1 LEU A 65 85.339 -1.498 1.963 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.067 -1.347 2.961 1.00 0.00 C ATOM 0 H LEU A 65 83.659 -1.662 5.792 1.00 0.00 H new ATOM 0 HA LEU A 65 84.225 -4.526 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.532 -3.689 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 65 83.791 -3.808 3.087 1.00 0.00 H new ATOM 0 HG LEU A 65 84.921 -1.193 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 65 85.286 -0.439 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 65 86.378 -1.778 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.936 -2.087 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 65 83.035 -0.288 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 65 82.668 -1.933 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.465 -1.523 3.853 1.00 0.00 H new ATOM 1005 N LYS A 66 86.538 -4.142 6.227 1.00 0.00 N ATOM 1006 CA LYS A 66 87.791 -3.929 6.965 1.00 0.00 C ATOM 1007 C LYS A 66 89.015 -4.119 6.062 1.00 0.00 C ATOM 1008 O LYS A 66 88.900 -4.150 4.837 1.00 0.00 O ATOM 1009 CB LYS A 66 87.860 -4.906 8.153 1.00 0.00 C ATOM 1010 CG LYS A 66 86.780 -4.552 9.182 1.00 0.00 C ATOM 1011 CD LYS A 66 87.000 -5.352 10.475 1.00 0.00 C ATOM 1012 CE LYS A 66 86.696 -6.836 10.240 1.00 0.00 C ATOM 1013 NZ LYS A 66 86.628 -7.542 11.551 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.313 -5.122 6.056 1.00 0.00 H new ATOM 0 HA LYS A 66 87.802 -2.901 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.720 -5.929 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.845 -4.860 8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.808 -3.484 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.793 -4.770 8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 66 88.029 -5.234 10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 66 86.358 -4.963 11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 66 85.752 -6.945 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 66 87.469 -7.282 9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 86.422 -8.549 11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 87.539 -7.448 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.875 -7.122 12.133 1.00 0.00 H new ATOM 1027 N ASN A 67 90.183 -4.274 6.691 1.00 0.00 N ATOM 1028 CA ASN A 67 91.433 -4.493 5.960 1.00 0.00 C ATOM 1029 C ASN A 67 91.465 -3.657 4.683 1.00 0.00 C ATOM 1030 O ASN A 67 91.734 -4.178 3.602 1.00 0.00 O ATOM 1031 CB ASN A 67 91.555 -5.972 5.595 1.00 0.00 C ATOM 1032 CG ASN A 67 91.688 -6.813 6.858 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.605 -6.602 7.653 1.00 0.00 O ATOM 1034 ND2 ASN A 67 90.817 -7.755 7.099 1.00 0.00 N ATOM 0 H ASN A 67 90.289 -4.252 7.705 1.00 0.00 H new ATOM 0 HA ASN A 67 92.265 -4.194 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.679 -6.288 5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 67 92.422 -6.126 4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 67 90.895 -8.317 7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 67 90.058 -7.929 6.440 1.00 0.00 H new ATOM 1041 N LEU A 68 91.133 -2.378 4.800 1.00 0.00 N ATOM 1042 CA LEU A 68 91.072 -1.521 3.623 1.00 0.00 C ATOM 1043 C LEU A 68 92.412 -1.423 2.895 1.00 0.00 C ATOM 1044 O LEU A 68 93.338 -0.756 3.346 1.00 0.00 O ATOM 1045 CB LEU A 68 90.613 -0.121 4.033 1.00 0.00 C ATOM 1046 CG LEU A 68 89.225 -0.194 4.679 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.835 1.200 5.172 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.185 -0.700 3.655 1.00 0.00 C ATOM 0 H LEU A 68 90.905 -1.917 5.681 1.00 0.00 H new ATOM 0 HA LEU A 68 90.359 -1.972 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.327 0.315 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.583 0.531 3.160 1.00 0.00 H new ATOM 0 HG LEU A 68 89.250 -0.889 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.848 1.160 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.565 1.544 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.813 1.891 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.203 -0.747 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.148 -0.017 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.469 -1.694 3.308 1.00 0.00 H new ATOM 1060 N ARG A 69 92.480 -2.080 1.733 1.00 0.00 N ATOM 1061 CA ARG A 69 93.682 -2.067 0.896 1.00 0.00 C ATOM 1062 C ARG A 69 93.484 -1.079 -0.255 1.00 0.00 C ATOM 1063 O ARG A 69 92.354 -0.861 -0.687 1.00 0.00 O ATOM 1064 CB ARG A 69 93.924 -3.469 0.311 1.00 0.00 C ATOM 1065 CG ARG A 69 94.487 -4.415 1.386 1.00 0.00 C ATOM 1066 CD ARG A 69 96.017 -4.313 1.441 1.00 0.00 C ATOM 1067 NE ARG A 69 96.611 -5.086 0.355 1.00 0.00 N ATOM 1068 CZ ARG A 69 97.915 -5.034 0.104 1.00 0.00 C ATOM 1069 NH1 ARG A 69 98.772 -5.418 1.010 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 98.339 -4.605 -1.054 1.00 0.00 N ATOM 0 H ARG A 69 91.711 -2.630 1.350 1.00 0.00 H new ATOM 0 HA ARG A 69 94.538 -1.771 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.990 -3.871 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.620 -3.405 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.064 -4.163 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.192 -5.441 1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.323 -3.270 1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 69 96.379 -4.682 2.401 1.00 0.00 H new ATOM 0 HE ARG A 69 96.014 -5.678 -0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 69 98.441 -5.759 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 69 99.772 -5.377 0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 69 97.670 -4.310 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 69 99.340 -4.565 -1.248 1.00 0.00 H new ATOM 1084 N PRO A 70 94.530 -0.488 -0.776 1.00 0.00 N ATOM 1085 CA PRO A 70 94.380 0.464 -1.908 1.00 0.00 C ATOM 1086 C PRO A 70 93.689 -0.218 -3.091 1.00 0.00 C ATOM 1087 O PRO A 70 92.987 0.426 -3.873 1.00 0.00 O ATOM 1088 CB PRO A 70 95.821 0.898 -2.274 1.00 0.00 C ATOM 1089 CG PRO A 70 96.763 0.161 -1.350 1.00 0.00 C ATOM 1090 CD PRO A 70 95.926 -0.651 -0.344 1.00 0.00 C ATOM 0 HA PRO A 70 93.762 1.322 -1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.041 0.661 -3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 70 95.938 1.976 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.414 -0.500 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.407 0.866 -0.825 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.218 -1.701 -0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.068 -0.284 0.672 1.00 0.00 H new ATOM 1098 N GLN A 71 93.907 -1.524 -3.217 1.00 0.00 N ATOM 1099 CA GLN A 71 93.317 -2.280 -4.313 1.00 0.00 C ATOM 1100 C GLN A 71 91.797 -2.211 -4.273 1.00 0.00 C ATOM 1101 O GLN A 71 91.168 -1.806 -5.251 1.00 0.00 O ATOM 1102 CB GLN A 71 93.755 -3.746 -4.245 1.00 0.00 C ATOM 1103 CG GLN A 71 93.187 -4.503 -5.452 1.00 0.00 C ATOM 1104 CD GLN A 71 93.781 -5.911 -5.510 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.768 -6.195 -4.833 1.00 0.00 O ATOM 1106 NE2 GLN A 71 93.242 -6.807 -6.292 1.00 0.00 N ATOM 0 H GLN A 71 94.482 -2.075 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 71 93.665 -1.835 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.843 -3.812 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.403 -4.200 -3.319 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.101 -4.560 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.416 -3.964 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 71 92.424 -6.569 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 71 93.639 -7.745 -6.343 1.00 0.00 H new ATOM 1115 N ASP A 72 91.196 -2.645 -3.169 1.00 0.00 N ATOM 1116 CA ASP A 72 89.743 -2.659 -3.069 1.00 0.00 C ATOM 1117 C ASP A 72 89.123 -1.278 -3.266 1.00 0.00 C ATOM 1118 O ASP A 72 87.990 -1.181 -3.738 1.00 0.00 O ATOM 1119 CB ASP A 72 89.319 -3.224 -1.707 1.00 0.00 C ATOM 1120 CG ASP A 72 89.895 -2.382 -0.572 1.00 0.00 C ATOM 1121 OD1 ASP A 72 90.026 -1.186 -0.754 1.00 0.00 O ATOM 1122 OD2 ASP A 72 90.198 -2.949 0.464 1.00 0.00 O1- ATOM 0 H ASP A 72 91.686 -2.987 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 72 89.376 -3.296 -3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 72 88.231 -3.242 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 72 89.662 -4.254 -1.612 1.00 0.00 H new ATOM 1127 N SER A 73 89.828 -0.208 -2.902 1.00 0.00 N ATOM 1128 CA SER A 73 89.271 1.130 -3.055 1.00 0.00 C ATOM 1129 C SER A 73 88.987 1.444 -4.519 1.00 0.00 C ATOM 1130 O SER A 73 89.803 1.155 -5.394 1.00 0.00 O ATOM 1131 CB SER A 73 90.261 2.155 -2.496 1.00 0.00 C ATOM 1132 OG SER A 73 91.200 2.495 -3.505 1.00 0.00 O ATOM 0 H SER A 73 90.768 -0.241 -2.507 1.00 0.00 H new ATOM 0 HA SER A 73 88.330 1.177 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 73 89.730 3.046 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 73 90.775 1.745 -1.627 1.00 0.00 H new ATOM 0 HG SER A 73 91.831 1.755 -3.627 1.00 0.00 H new ATOM 1138 N CYS A 74 87.827 2.048 -4.767 1.00 0.00 N ATOM 1139 CA CYS A 74 87.426 2.414 -6.124 1.00 0.00 C ATOM 1140 C CYS A 74 86.095 3.168 -6.102 1.00 0.00 C ATOM 1141 O CYS A 74 85.890 4.063 -5.285 1.00 0.00 O ATOM 1142 CB CYS A 74 87.290 1.161 -6.998 1.00 0.00 C ATOM 1143 SG CYS A 74 85.866 0.194 -6.444 1.00 0.00 S ATOM 0 H CYS A 74 87.148 2.294 -4.047 1.00 0.00 H new ATOM 0 HA CYS A 74 88.196 3.061 -6.544 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.166 1.445 -8.043 1.00 0.00 H new ATOM 0 HB3 CYS A 74 88.198 0.561 -6.936 1.00 0.00 H new ATOM 0 HG CYS A 74 86.070 -0.222 -5.229 1.00 0.00 H new ATOM 1149 N ARG A 75 85.196 2.801 -7.013 1.00 0.00 N ATOM 1150 CA ARG A 75 83.882 3.441 -7.106 1.00 0.00 C ATOM 1151 C ARG A 75 82.814 2.635 -6.369 1.00 0.00 C ATOM 1152 O ARG A 75 82.794 1.406 -6.433 1.00 0.00 O ATOM 1153 CB ARG A 75 83.473 3.555 -8.577 1.00 0.00 C ATOM 1154 CG ARG A 75 82.105 4.244 -8.689 1.00 0.00 C ATOM 1155 CD ARG A 75 81.648 4.221 -10.140 1.00 0.00 C ATOM 1156 NE ARG A 75 82.558 4.999 -10.970 1.00 0.00 N ATOM 1157 CZ ARG A 75 82.458 6.323 -11.052 1.00 0.00 C ATOM 1158 NH1 ARG A 75 81.321 6.912 -10.800 1.00 0.00 N ATOM 1159 NH2 ARG A 75 83.499 7.033 -11.390 1.00 0.00 N1+ ATOM 0 H ARG A 75 85.352 2.063 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 75 83.958 4.427 -6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.222 4.123 -9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.429 2.564 -9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.376 3.735 -8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.172 5.272 -8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 75 81.607 3.193 -10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 75 80.639 4.626 -10.217 1.00 0.00 H new ATOM 0 HE ARG A 75 83.286 4.519 -11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 75 80.506 6.357 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 75 81.247 7.927 -10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 75 84.387 6.573 -11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 75 83.425 8.048 -11.454 1.00 0.00 H new ATOM 1173 N VAL A 76 81.901 3.348 -5.701 1.00 0.00 N ATOM 1174 CA VAL A 76 80.791 2.711 -4.982 1.00 0.00 C ATOM 1175 C VAL A 76 79.461 3.228 -5.544 1.00 0.00 C ATOM 1176 O VAL A 76 79.268 4.438 -5.671 1.00 0.00 O ATOM 1177 CB VAL A 76 80.890 3.033 -3.486 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.614 2.584 -2.767 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.095 2.303 -2.888 1.00 0.00 C ATOM 0 H VAL A 76 81.908 4.366 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 76 80.842 1.630 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 76 81.011 4.109 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.694 2.817 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.755 3.106 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.484 1.509 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.167 2.531 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 76 81.972 1.228 -3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.005 2.630 -3.392 1.00 0.00 H new ATOM 1189 N THR A 77 78.550 2.312 -5.904 1.00 0.00 N ATOM 1190 CA THR A 77 77.251 2.709 -6.476 1.00 0.00 C ATOM 1191 C THR A 77 76.081 1.948 -5.844 1.00 0.00 C ATOM 1192 O THR A 77 76.112 0.723 -5.726 1.00 0.00 O ATOM 1193 CB THR A 77 77.262 2.455 -7.985 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.339 3.167 -8.576 1.00 0.00 O ATOM 1195 CG2 THR A 77 75.942 2.930 -8.596 1.00 0.00 C ATOM 0 H THR A 77 78.683 1.305 -5.812 1.00 0.00 H new ATOM 0 HA THR A 77 77.109 3.769 -6.265 1.00 0.00 H new ATOM 0 HB THR A 77 77.384 1.388 -8.171 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.348 3.004 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.952 2.748 -9.671 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.114 2.384 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.818 3.997 -8.410 1.00 0.00 H new ATOM 1203 N PHE A 78 75.037 2.694 -5.456 1.00 0.00 N ATOM 1204 CA PHE A 78 73.833 2.108 -4.851 1.00 0.00 C ATOM 1205 C PHE A 78 72.593 2.615 -5.589 1.00 0.00 C ATOM 1206 O PHE A 78 72.344 3.816 -5.641 1.00 0.00 O ATOM 1207 CB PHE A 78 73.780 2.505 -3.370 1.00 0.00 C ATOM 1208 CG PHE A 78 72.513 2.004 -2.694 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.186 0.639 -2.707 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.683 2.909 -2.013 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.039 0.185 -2.044 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.534 2.453 -1.359 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.214 1.092 -1.371 1.00 0.00 C ATOM 0 H PHE A 78 75.003 3.709 -5.551 1.00 0.00 H new ATOM 0 HA PHE A 78 73.861 1.021 -4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.651 2.101 -2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.833 3.590 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.820 -0.062 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.932 3.960 -1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.791 -0.866 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.893 3.153 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.329 0.741 -0.860 1.00 0.00 H new ATOM 1223 N LEU A 79 71.834 1.694 -6.185 1.00 0.00 N ATOM 1224 CA LEU A 79 70.634 2.055 -6.953 1.00 0.00 C ATOM 1225 C LEU A 79 69.353 1.575 -6.277 1.00 0.00 C ATOM 1226 O LEU A 79 68.889 0.463 -6.515 1.00 0.00 O ATOM 1227 CB LEU A 79 70.729 1.439 -8.353 1.00 0.00 C ATOM 1228 CG LEU A 79 69.441 1.696 -9.155 1.00 0.00 C ATOM 1229 CD1 LEU A 79 69.124 3.198 -9.195 1.00 0.00 C ATOM 1230 CD2 LEU A 79 69.646 1.184 -10.580 1.00 0.00 C ATOM 0 H LEU A 79 72.026 0.693 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 79 70.590 3.143 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.583 1.861 -8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.903 0.366 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 79 68.609 1.178 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 79 68.210 3.362 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 79 68.988 3.568 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.948 3.731 -9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.742 1.358 -11.163 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.481 1.712 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 79 69.861 0.116 -10.555 1.00 0.00 H new ATOM 1242 N ALA A 80 68.780 2.433 -5.441 1.00 0.00 N ATOM 1243 CA ALA A 80 67.535 2.112 -4.742 1.00 0.00 C ATOM 1244 C ALA A 80 66.366 2.811 -5.429 1.00 0.00 C ATOM 1245 O ALA A 80 66.039 3.947 -5.103 1.00 0.00 O ATOM 1246 CB ALA A 80 67.625 2.568 -3.278 1.00 0.00 C ATOM 0 H ALA A 80 69.155 3.357 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 80 67.377 1.034 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.695 2.326 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.454 2.057 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.790 3.645 -3.242 1.00 0.00 H new ATOM 1252 N GLY A 81 65.738 2.123 -6.377 1.00 0.00 N ATOM 1253 CA GLY A 81 64.604 2.699 -7.096 1.00 0.00 C ATOM 1254 C GLY A 81 64.974 4.055 -7.690 1.00 0.00 C ATOM 1255 O GLY A 81 66.154 4.375 -7.833 1.00 0.00 O ATOM 0 H GLY A 81 65.990 1.177 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.289 2.022 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.757 2.812 -6.419 1.00 0.00 H new ATOM 1259 N ASP A 82 63.963 4.846 -8.046 1.00 0.00 N ATOM 1260 CA ASP A 82 64.198 6.162 -8.637 1.00 0.00 C ATOM 1261 C ASP A 82 65.217 6.966 -7.830 1.00 0.00 C ATOM 1262 O ASP A 82 65.657 8.033 -8.259 1.00 0.00 O ATOM 1263 CB ASP A 82 62.880 6.943 -8.693 1.00 0.00 C ATOM 1264 CG ASP A 82 63.036 8.163 -9.597 1.00 0.00 C ATOM 1265 OD1 ASP A 82 63.897 8.131 -10.461 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 62.291 9.111 -9.413 1.00 0.00 O ATOM 0 H ASP A 82 62.979 4.600 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 82 64.595 6.011 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.083 6.301 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.591 7.257 -7.690 1.00 0.00 H new ATOM 1271 N MET A 83 65.593 6.448 -6.664 1.00 0.00 N ATOM 1272 CA MET A 83 66.568 7.125 -5.806 1.00 0.00 C ATOM 1273 C MET A 83 67.938 6.476 -5.954 1.00 0.00 C ATOM 1274 O MET A 83 68.078 5.269 -5.766 1.00 0.00 O ATOM 1275 CB MET A 83 66.127 7.039 -4.346 1.00 0.00 C ATOM 1276 CG MET A 83 64.714 7.606 -4.201 1.00 0.00 C ATOM 1277 SD MET A 83 64.335 7.835 -2.446 1.00 0.00 S ATOM 1278 CE MET A 83 64.492 6.108 -1.936 1.00 0.00 C ATOM 0 H MET A 83 65.241 5.566 -6.291 1.00 0.00 H new ATOM 0 HA MET A 83 66.629 8.171 -6.108 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.150 6.003 -4.009 1.00 0.00 H new ATOM 0 HB3 MET A 83 66.819 7.595 -3.713 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.636 8.557 -4.728 1.00 0.00 H new ATOM 0 HG3 MET A 83 63.990 6.929 -4.655 1.00 0.00 H new ATOM 0 HE1 MET A 83 63.800 5.906 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 83 64.258 5.457 -2.778 1.00 0.00 H new ATOM 0 HE3 MET A 83 65.513 5.918 -1.604 1.00 0.00 H new ATOM 1288 N VAL A 84 68.950 7.276 -6.305 1.00 0.00 N ATOM 1289 CA VAL A 84 70.306 6.747 -6.489 1.00 0.00 C ATOM 1290 C VAL A 84 71.346 7.605 -5.763 1.00 0.00 C ATOM 1291 O VAL A 84 71.356 8.830 -5.883 1.00 0.00 O ATOM 1292 CB VAL A 84 70.633 6.697 -7.988 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.355 8.063 -8.624 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.107 6.322 -8.193 1.00 0.00 C ATOM 0 H VAL A 84 68.859 8.279 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 84 70.342 5.744 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 84 70.005 5.943 -8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.588 8.023 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.304 8.318 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 84 70.975 8.821 -8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.329 6.289 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 84 72.742 7.067 -7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.298 5.344 -7.752 1.00 0.00 H new ATOM 1304 N THR A 85 72.230 6.933 -5.023 1.00 0.00 N ATOM 1305 CA THR A 85 73.305 7.599 -4.279 1.00 0.00 C ATOM 1306 C THR A 85 74.642 6.964 -4.658 1.00 0.00 C ATOM 1307 O THR A 85 74.753 5.740 -4.716 1.00 0.00 O ATOM 1308 CB THR A 85 73.069 7.443 -2.765 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.692 6.253 -2.311 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.564 7.369 -2.496 1.00 0.00 C ATOM 0 H THR A 85 72.223 5.918 -4.922 1.00 0.00 H new ATOM 0 HA THR A 85 73.317 8.660 -4.528 1.00 0.00 H new ATOM 0 HB THR A 85 73.493 8.297 -2.236 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.932 5.695 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.391 7.258 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.086 8.283 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.142 6.513 -3.022 1.00 0.00 H new ATOM 1318 N SER A 86 75.656 7.788 -4.919 1.00 0.00 N ATOM 1319 CA SER A 86 76.975 7.263 -5.290 1.00 0.00 C ATOM 1320 C SER A 86 78.082 8.219 -4.853 1.00 0.00 C ATOM 1321 O SER A 86 77.943 9.436 -4.968 1.00 0.00 O ATOM 1322 CB SER A 86 77.051 7.068 -6.805 1.00 0.00 C ATOM 1323 OG SER A 86 76.221 5.977 -7.183 1.00 0.00 O ATOM 0 H SER A 86 75.595 8.806 -4.882 1.00 0.00 H new ATOM 0 HA SER A 86 77.114 6.307 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.732 7.976 -7.316 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.081 6.877 -7.107 1.00 0.00 H new ATOM 0 HG SER A 86 75.733 5.650 -6.399 1.00 0.00 H new ATOM 1329 N ALA A 87 79.179 7.659 -4.337 1.00 0.00 N ATOM 1330 CA ALA A 87 80.302 8.476 -3.870 1.00 0.00 C ATOM 1331 C ALA A 87 81.626 7.738 -4.052 1.00 0.00 C ATOM 1332 O ALA A 87 81.654 6.519 -4.215 1.00 0.00 O ATOM 1333 CB ALA A 87 80.108 8.837 -2.396 1.00 0.00 C ATOM 0 H ALA A 87 79.313 6.653 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 87 80.331 9.388 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 87 80.947 9.444 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.182 9.399 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.057 7.925 -1.802 1.00 0.00 H new ATOM 1339 N PHE A 88 82.718 8.497 -4.056 1.00 0.00 N ATOM 1340 CA PHE A 88 84.048 7.927 -4.254 1.00 0.00 C ATOM 1341 C PHE A 88 84.589 7.272 -2.982 1.00 0.00 C ATOM 1342 O PHE A 88 84.132 7.554 -1.873 1.00 0.00 O ATOM 1343 CB PHE A 88 85.017 9.029 -4.689 1.00 0.00 C ATOM 1344 CG PHE A 88 84.561 9.628 -5.998 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.964 9.055 -7.210 1.00 0.00 C ATOM 1346 CD2 PHE A 88 83.739 10.761 -6.000 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.545 9.614 -8.422 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.320 11.320 -7.213 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.723 10.747 -8.424 1.00 0.00 C ATOM 0 H PHE A 88 82.709 9.508 -3.924 1.00 0.00 H new ATOM 0 HA PHE A 88 83.962 7.159 -5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.068 9.803 -3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.022 8.620 -4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.599 8.181 -7.209 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.428 11.204 -5.065 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.856 9.171 -9.357 1.00 0.00 H new ATOM 0 HE2 PHE A 88 82.685 12.194 -7.214 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.400 11.179 -9.360 1.00 0.00 H new ATOM 1359 N LEU A 89 85.601 6.422 -3.166 1.00 0.00 N ATOM 1360 CA LEU A 89 86.274 5.732 -2.058 1.00 0.00 C ATOM 1361 C LEU A 89 87.781 5.923 -2.218 1.00 0.00 C ATOM 1362 O LEU A 89 88.297 5.879 -3.336 1.00 0.00 O ATOM 1363 CB LEU A 89 85.924 4.236 -2.058 1.00 0.00 C ATOM 1364 CG LEU A 89 86.677 3.494 -0.937 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.344 4.107 0.431 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.267 2.010 -0.942 1.00 0.00 C ATOM 0 H LEU A 89 85.979 6.191 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 89 85.942 6.151 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 89 84.850 4.110 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.179 3.799 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 89 87.749 3.586 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.884 3.571 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.639 5.156 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.272 4.030 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.799 1.483 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.193 1.929 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.519 1.566 -1.905 1.00 0.00 H new ATOM 1378 N THR A 90 88.489 6.142 -1.110 1.00 0.00 N ATOM 1379 CA THR A 90 89.941 6.348 -1.170 1.00 0.00 C ATOM 1380 C THR A 90 90.642 5.690 0.011 1.00 0.00 C ATOM 1381 O THR A 90 90.270 5.904 1.164 1.00 0.00 O ATOM 1382 CB THR A 90 90.256 7.845 -1.153 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.751 8.410 0.044 1.00 0.00 O ATOM 1384 CG2 THR A 90 89.610 8.534 -2.356 1.00 0.00 C ATOM 0 H THR A 90 88.091 6.182 -0.172 1.00 0.00 H new ATOM 0 HA THR A 90 90.302 5.895 -2.093 1.00 0.00 H new ATOM 0 HB THR A 90 91.336 7.987 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 90 88.939 7.932 0.314 1.00 0.00 H new ATOM 0 HG21 THR A 90 89.841 9.599 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 90 89.998 8.098 -3.277 1.00 0.00 H new ATOM 0 HG23 THR A 90 88.529 8.396 -2.317 1.00 0.00 H new ATOM 1392 N VAL A 91 91.685 4.913 -0.282 1.00 0.00 N ATOM 1393 CA VAL A 91 92.463 4.254 0.768 1.00 0.00 C ATOM 1394 C VAL A 91 93.943 4.273 0.400 1.00 0.00 C ATOM 1395 O VAL A 91 94.314 3.903 -0.713 1.00 0.00 O ATOM 1396 CB VAL A 91 92.001 2.808 0.934 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.641 2.210 2.191 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.477 2.772 1.068 1.00 0.00 C ATOM 0 H VAL A 91 92.009 4.725 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 91 92.313 4.788 1.706 1.00 0.00 H new ATOM 0 HB VAL A 91 92.302 2.227 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.312 1.178 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.726 2.236 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.340 2.790 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.146 1.740 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.175 3.352 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.023 3.198 0.173 1.00 0.00 H new ATOM 1408 N ARG A 92 94.787 4.736 1.327 1.00 0.00 N ATOM 1409 CA ARG A 92 96.230 4.838 1.075 1.00 0.00 C ATOM 1410 C ARG A 92 97.040 3.975 2.045 1.00 0.00 C ATOM 1411 O ARG A 92 96.610 3.706 3.167 1.00 0.00 O ATOM 1412 CB ARG A 92 96.648 6.303 1.222 1.00 0.00 C ATOM 1413 CG ARG A 92 98.129 6.471 0.879 1.00 0.00 C ATOM 1414 CD ARG A 92 98.505 7.949 0.983 1.00 0.00 C ATOM 1415 NE ARG A 92 99.915 8.140 0.645 1.00 0.00 N ATOM 1416 CZ ARG A 92 100.864 8.125 1.580 1.00 0.00 C ATOM 1417 NH1 ARG A 92 100.577 7.746 2.796 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 92 102.080 8.488 1.278 1.00 0.00 N ATOM 0 H ARG A 92 94.499 5.045 2.255 1.00 0.00 H new ATOM 0 HA ARG A 92 96.432 4.476 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.043 6.928 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 92 96.464 6.640 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 92 98.741 5.879 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 92 98.325 6.104 -0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 92 97.880 8.538 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 92 98.314 8.309 1.994 1.00 0.00 H new ATOM 0 HE ARG A 92 100.178 8.288 -0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 92 99.626 7.461 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 92 101.304 7.735 3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 92 102.303 8.783 0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 92 102.808 8.477 1.993 1.00 0.00 H new