USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 563 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 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.552 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.49) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0633 K(o=-0.063,f=-0.89) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.02! K(o=-2!,f=-0.024) USER MOD Single : A 74 THR OG1 : rot 87:sc= 1.09 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 133:sc= -0.312 USER MOD Single : A 96 SER OG : rot 101:sc= 1.23 USER MOD Single : A 99 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.53) USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0315) USER MOD Single : A 104 GLN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 12.184 -0.443 -17.376 1.00 1.00 N ATOM 47 CA GLU A 4 11.037 0.450 -17.486 1.00 1.00 C ATOM 48 C GLU A 4 9.904 -0.227 -18.248 1.00 1.00 C ATOM 49 O GLU A 4 8.745 -0.178 -17.832 1.00 1.00 O ATOM 50 CB GLU A 4 11.444 1.736 -18.209 1.00 1.00 C ATOM 51 CG GLU A 4 12.502 2.472 -17.383 1.00 1.00 C ATOM 52 CD GLU A 4 11.829 3.441 -16.417 1.00 1.00 C ATOM 53 OE1 GLU A 4 11.052 4.261 -16.875 1.00 1.00 O ATOM 54 OE2 GLU A 4 12.103 3.348 -15.232 1.00 1.00 O ATOM 0 HA GLU A 4 10.691 0.692 -16.481 1.00 1.00 H new ATOM 0 HB2 GLU A 4 11.838 1.501 -19.198 1.00 1.00 H new ATOM 0 HB3 GLU A 4 10.573 2.375 -18.356 1.00 1.00 H new ATOM 0 HG2 GLU A 4 13.106 1.754 -16.829 1.00 1.00 H new ATOM 0 HG3 GLU A 4 13.178 3.015 -18.044 1.00 1.00 H new ATOM 61 N LEU A 5 10.244 -0.859 -19.367 1.00 1.00 N ATOM 62 CA LEU A 5 9.247 -1.545 -20.179 1.00 1.00 C ATOM 63 C LEU A 5 8.812 -2.846 -19.512 1.00 1.00 C ATOM 64 O LEU A 5 7.654 -3.253 -19.617 1.00 1.00 O ATOM 65 CB LEU A 5 9.820 -1.848 -21.566 1.00 1.00 C ATOM 66 CG LEU A 5 9.648 -0.625 -22.467 1.00 1.00 C ATOM 67 CD1 LEU A 5 10.784 -0.581 -23.491 1.00 1.00 C ATOM 68 CD2 LEU A 5 8.307 -0.716 -23.199 1.00 1.00 C ATOM 0 H LEU A 5 11.196 -0.910 -19.730 1.00 1.00 H new ATOM 0 HA LEU A 5 8.379 -0.894 -20.278 1.00 1.00 H new ATOM 0 HB2 LEU A 5 10.875 -2.109 -21.486 1.00 1.00 H new ATOM 0 HB3 LEU A 5 9.311 -2.708 -22.001 1.00 1.00 H new ATOM 0 HG LEU A 5 9.671 0.280 -21.859 1.00 1.00 H new ATOM 0 HD11 LEU A 5 10.661 0.291 -24.133 1.00 1.00 H new ATOM 0 HD12 LEU A 5 11.740 -0.517 -22.971 1.00 1.00 H new ATOM 0 HD13 LEU A 5 10.761 -1.485 -24.099 1.00 1.00 H new ATOM 0 HD21 LEU A 5 8.183 0.156 -23.842 1.00 1.00 H new ATOM 0 HD22 LEU A 5 8.285 -1.621 -23.806 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.496 -0.748 -22.471 1.00 1.00 H new ATOM 80 N GLN A 6 9.747 -3.494 -18.825 1.00 1.00 N ATOM 81 CA GLN A 6 9.449 -4.749 -18.143 1.00 1.00 C ATOM 82 C GLN A 6 8.324 -4.555 -17.130 1.00 1.00 C ATOM 83 O GLN A 6 7.374 -5.337 -17.088 1.00 1.00 O ATOM 84 CB GLN A 6 10.700 -5.265 -17.429 1.00 1.00 C ATOM 85 CG GLN A 6 10.400 -6.623 -16.792 1.00 1.00 C ATOM 86 CD GLN A 6 11.701 -7.300 -16.374 1.00 1.00 C ATOM 87 OE1 GLN A 6 12.121 -8.275 -16.997 1.00 1.00 O ATOM 88 NE2 GLN A 6 12.365 -6.842 -15.350 1.00 1.00 N ATOM 0 H GLN A 6 10.711 -3.174 -18.726 1.00 1.00 H new ATOM 0 HA GLN A 6 9.129 -5.479 -18.887 1.00 1.00 H new ATOM 0 HB2 GLN A 6 11.524 -5.357 -18.137 1.00 1.00 H new ATOM 0 HB3 GLN A 6 11.015 -4.554 -16.665 1.00 1.00 H new ATOM 0 HG2 GLN A 6 9.753 -6.492 -15.925 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.862 -7.255 -17.499 1.00 1.00 H new ATOM 0 HE21 GLN A 6 12.015 -6.034 -14.835 1.00 1.00 H new ATOM 0 HE22 GLN A 6 13.235 -7.292 -15.064 1.00 1.00 H new ATOM 97 N CYS A 7 8.441 -3.512 -16.317 1.00 1.00 N ATOM 98 CA CYS A 7 7.428 -3.226 -15.306 1.00 1.00 C ATOM 99 C CYS A 7 6.098 -2.876 -15.965 1.00 1.00 C ATOM 100 O CYS A 7 5.048 -3.391 -15.580 1.00 1.00 O ATOM 101 CB CYS A 7 7.884 -2.064 -14.423 1.00 1.00 C ATOM 102 SG CYS A 7 6.588 -0.802 -14.371 1.00 1.00 S ATOM 0 H CYS A 7 9.220 -2.854 -16.336 1.00 1.00 H new ATOM 0 HA CYS A 7 7.293 -4.116 -14.692 1.00 1.00 H new ATOM 0 HB2 CYS A 7 8.099 -2.421 -13.416 1.00 1.00 H new ATOM 0 HB3 CYS A 7 8.807 -1.637 -14.814 1.00 1.00 H new ATOM 0 HG CYS A 7 6.974 0.185 -13.619 1.00 1.00 H new ATOM 107 N ILE A 8 6.149 -1.996 -16.960 1.00 1.00 N ATOM 108 CA ILE A 8 4.942 -1.582 -17.665 1.00 1.00 C ATOM 109 C ILE A 8 4.319 -2.767 -18.399 1.00 1.00 C ATOM 110 O ILE A 8 3.097 -2.862 -18.519 1.00 1.00 O ATOM 111 CB ILE A 8 5.275 -0.479 -18.670 1.00 1.00 C ATOM 112 CG1 ILE A 8 5.715 0.779 -17.915 1.00 1.00 C ATOM 113 CG2 ILE A 8 4.037 -0.161 -19.509 1.00 1.00 C ATOM 114 CD1 ILE A 8 6.432 1.726 -18.879 1.00 1.00 C ATOM 0 H ILE A 8 7.008 -1.558 -17.294 1.00 1.00 H new ATOM 0 HA ILE A 8 4.229 -1.203 -16.933 1.00 1.00 H new ATOM 0 HB ILE A 8 6.080 -0.814 -19.324 1.00 1.00 H new ATOM 0 HG12 ILE A 8 4.849 1.275 -17.477 1.00 1.00 H new ATOM 0 HG13 ILE A 8 6.378 0.510 -17.092 1.00 1.00 H new ATOM 0 HG21 ILE A 8 4.275 0.625 -20.225 1.00 1.00 H new ATOM 0 HG22 ILE A 8 3.721 -1.056 -20.045 1.00 1.00 H new ATOM 0 HG23 ILE A 8 3.231 0.175 -18.856 1.00 1.00 H new ATOM 0 HD11 ILE A 8 6.746 2.622 -18.343 1.00 1.00 H new ATOM 0 HD12 ILE A 8 7.307 1.227 -19.296 1.00 1.00 H new ATOM 0 HD13 ILE A 8 5.755 2.005 -19.686 1.00 1.00 H new ATOM 126 N ARG A 9 5.166 -3.665 -18.889 1.00 1.00 N ATOM 127 CA ARG A 9 4.690 -4.839 -19.610 1.00 1.00 C ATOM 128 C ARG A 9 4.080 -5.854 -18.649 1.00 1.00 C ATOM 129 O ARG A 9 3.152 -6.580 -19.005 1.00 1.00 O ATOM 130 CB ARG A 9 5.845 -5.488 -20.375 1.00 1.00 C ATOM 131 CG ARG A 9 5.294 -6.546 -21.331 1.00 1.00 C ATOM 132 CD ARG A 9 6.432 -7.104 -22.188 1.00 1.00 C ATOM 133 NE ARG A 9 7.532 -7.547 -21.339 1.00 1.00 N ATOM 134 CZ ARG A 9 8.522 -8.288 -21.828 1.00 1.00 C ATOM 135 NH1 ARG A 9 8.519 -8.633 -23.086 1.00 1.00 N ATOM 136 NH2 ARG A 9 9.495 -8.670 -21.047 1.00 1.00 N ATOM 0 H ARG A 9 6.180 -3.603 -18.801 1.00 1.00 H new ATOM 0 HA ARG A 9 3.922 -4.519 -20.314 1.00 1.00 H new ATOM 0 HB2 ARG A 9 6.397 -4.731 -20.933 1.00 1.00 H new ATOM 0 HB3 ARG A 9 6.547 -5.944 -19.677 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.822 -7.350 -20.767 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.525 -6.110 -21.969 1.00 1.00 H new ATOM 0 HD2 ARG A 9 6.069 -7.937 -22.789 1.00 1.00 H new ATOM 0 HD3 ARG A 9 6.783 -6.340 -22.881 1.00 1.00 H new ATOM 0 HE ARG A 9 7.542 -7.284 -20.354 1.00 1.00 H new ATOM 0 HH11 ARG A 9 7.757 -8.334 -23.695 1.00 1.00 H new ATOM 0 HH12 ARG A 9 9.279 -9.201 -23.461 1.00 1.00 H new ATOM 0 HH21 ARG A 9 9.495 -8.400 -20.063 1.00 1.00 H new ATOM 0 HH22 ARG A 9 10.255 -9.238 -21.420 1.00 1.00 H new ATOM 150 N GLU A 10 4.608 -5.902 -17.431 1.00 1.00 N ATOM 151 CA GLU A 10 4.105 -6.836 -16.428 1.00 1.00 C ATOM 152 C GLU A 10 2.729 -6.404 -15.931 1.00 1.00 C ATOM 153 O GLU A 10 1.865 -7.239 -15.667 1.00 1.00 O ATOM 154 CB GLU A 10 5.076 -6.908 -15.248 1.00 1.00 C ATOM 155 CG GLU A 10 6.226 -7.857 -15.591 1.00 1.00 C ATOM 156 CD GLU A 10 5.793 -9.302 -15.373 1.00 1.00 C ATOM 157 OE1 GLU A 10 5.184 -9.570 -14.350 1.00 1.00 O ATOM 158 OE2 GLU A 10 6.077 -10.121 -16.232 1.00 1.00 O ATOM 0 H GLU A 10 5.377 -5.311 -17.115 1.00 1.00 H new ATOM 0 HA GLU A 10 4.018 -7.820 -16.889 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.465 -5.915 -15.022 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.556 -7.257 -14.356 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.531 -7.713 -16.628 1.00 1.00 H new ATOM 0 HG3 GLU A 10 7.093 -7.631 -14.970 1.00 1.00 H new ATOM 165 N CYS A 11 2.532 -5.095 -15.808 1.00 1.00 N ATOM 166 CA CYS A 11 1.254 -4.567 -15.342 1.00 1.00 C ATOM 167 C CYS A 11 0.232 -4.569 -16.474 1.00 1.00 C ATOM 168 O CYS A 11 -0.965 -4.730 -16.242 1.00 1.00 O ATOM 169 CB CYS A 11 1.438 -3.142 -14.817 1.00 1.00 C ATOM 170 SG CYS A 11 2.175 -3.197 -13.164 1.00 1.00 S ATOM 0 H CYS A 11 3.233 -4.386 -16.022 1.00 1.00 H new ATOM 0 HA CYS A 11 0.889 -5.204 -14.537 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.077 -2.574 -15.493 1.00 1.00 H new ATOM 0 HB3 CYS A 11 0.477 -2.629 -14.781 1.00 1.00 H new ATOM 0 HG CYS A 11 2.333 -1.986 -12.719 1.00 1.00 H new ATOM 175 N ARG A 12 0.715 -4.391 -17.700 1.00 1.00 N ATOM 176 CA ARG A 12 -0.165 -4.374 -18.863 1.00 1.00 C ATOM 177 C ARG A 12 -0.859 -5.723 -19.028 1.00 1.00 C ATOM 178 O ARG A 12 -2.018 -5.788 -19.436 1.00 1.00 O ATOM 179 CB ARG A 12 0.642 -4.058 -20.123 1.00 1.00 C ATOM 180 CG ARG A 12 -0.313 -3.798 -21.291 1.00 1.00 C ATOM 181 CD ARG A 12 0.124 -4.628 -22.500 1.00 1.00 C ATOM 182 NE ARG A 12 1.558 -4.483 -22.723 1.00 1.00 N ATOM 183 CZ ARG A 12 2.045 -3.468 -23.427 1.00 1.00 C ATOM 184 NH1 ARG A 12 1.237 -2.580 -23.939 1.00 1.00 N ATOM 185 NH2 ARG A 12 3.333 -3.359 -23.609 1.00 1.00 N ATOM 0 H ARG A 12 1.704 -4.257 -17.913 1.00 1.00 H new ATOM 0 HA ARG A 12 -0.921 -3.604 -18.712 1.00 1.00 H new ATOM 0 HB2 ARG A 12 1.273 -3.185 -19.954 1.00 1.00 H new ATOM 0 HB3 ARG A 12 1.306 -4.889 -20.360 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -1.332 -4.059 -21.006 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -0.314 -2.738 -21.545 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -0.121 -5.677 -22.337 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -0.423 -4.307 -23.387 1.00 1.00 H new ATOM 0 HE ARG A 12 2.198 -5.174 -22.331 1.00 1.00 H new ATOM 0 HH11 ARG A 12 0.230 -2.665 -23.798 1.00 1.00 H new ATOM 0 HH12 ARG A 12 1.612 -1.801 -24.480 1.00 1.00 H new ATOM 0 HH21 ARG A 12 3.965 -4.053 -23.210 1.00 1.00 H new ATOM 0 HH22 ARG A 12 3.707 -2.579 -24.150 1.00 1.00 H new ATOM 199 N LEU A 13 -0.142 -6.794 -18.707 1.00 1.00 N ATOM 200 CA LEU A 13 -0.700 -8.138 -18.823 1.00 1.00 C ATOM 201 C LEU A 13 -1.874 -8.313 -17.869 1.00 1.00 C ATOM 202 O LEU A 13 -2.956 -8.740 -18.272 1.00 1.00 O ATOM 203 CB LEU A 13 0.377 -9.179 -18.506 1.00 1.00 C ATOM 204 CG LEU A 13 -0.247 -10.579 -18.488 1.00 1.00 C ATOM 205 CD1 LEU A 13 0.674 -11.554 -19.217 1.00 1.00 C ATOM 206 CD2 LEU A 13 -0.425 -11.045 -17.040 1.00 1.00 C ATOM 0 H LEU A 13 0.819 -6.760 -18.367 1.00 1.00 H new ATOM 0 HA LEU A 13 -1.052 -8.279 -19.845 1.00 1.00 H new ATOM 0 HB2 LEU A 13 1.171 -9.134 -19.252 1.00 1.00 H new ATOM 0 HB3 LEU A 13 0.834 -8.961 -17.541 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.218 -10.547 -18.983 1.00 1.00 H new ATOM 0 HD11 LEU A 13 0.232 -12.550 -19.205 1.00 1.00 H new ATOM 0 HD12 LEU A 13 0.806 -11.228 -20.249 1.00 1.00 H new ATOM 0 HD13 LEU A 13 1.643 -11.581 -18.718 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -0.869 -12.041 -17.030 1.00 1.00 H new ATOM 0 HD22 LEU A 13 0.546 -11.076 -16.546 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.079 -10.351 -16.512 1.00 1.00 H new ATOM 218 N ALA A 14 -1.652 -7.991 -16.601 1.00 1.00 N ATOM 219 CA ALA A 14 -2.698 -8.127 -15.597 1.00 1.00 C ATOM 220 C ALA A 14 -3.945 -7.354 -16.010 1.00 1.00 C ATOM 221 O ALA A 14 -5.060 -7.697 -15.614 1.00 1.00 O ATOM 222 CB ALA A 14 -2.198 -7.611 -14.246 1.00 1.00 C ATOM 0 H ALA A 14 -0.764 -7.637 -16.246 1.00 1.00 H new ATOM 0 HA ALA A 14 -2.954 -9.183 -15.510 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -2.987 -7.717 -13.501 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.327 -8.188 -13.936 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.923 -6.560 -14.337 1.00 1.00 H new ATOM 228 N GLN A 15 -3.751 -6.310 -16.809 1.00 1.00 N ATOM 229 CA GLN A 15 -4.870 -5.496 -17.271 1.00 1.00 C ATOM 230 C GLN A 15 -5.682 -6.247 -18.320 1.00 1.00 C ATOM 231 O GLN A 15 -6.773 -5.820 -18.697 1.00 1.00 O ATOM 232 CB GLN A 15 -4.350 -4.186 -17.866 1.00 1.00 C ATOM 233 CG GLN A 15 -4.484 -3.066 -16.832 1.00 1.00 C ATOM 234 CD GLN A 15 -5.943 -2.641 -16.711 1.00 1.00 C ATOM 235 OE1 GLN A 15 -6.666 -3.139 -15.847 1.00 1.00 O ATOM 236 NE2 GLN A 15 -6.422 -1.745 -17.530 1.00 1.00 N ATOM 0 H GLN A 15 -2.837 -6.009 -17.148 1.00 1.00 H new ATOM 0 HA GLN A 15 -5.514 -5.278 -16.419 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -3.307 -4.298 -18.163 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -4.912 -3.934 -18.765 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -4.114 -3.406 -15.865 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -3.871 -2.214 -17.125 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -5.821 -1.334 -18.245 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -7.397 -1.455 -17.456 1.00 1.00 H new ATOM 598 N ALA A 45 6.451 -10.360 -5.629 1.00 1.00 N ATOM 599 CA ALA A 45 7.894 -10.470 -5.821 1.00 1.00 C ATOM 600 C ALA A 45 8.615 -9.248 -5.255 1.00 1.00 C ATOM 601 O ALA A 45 9.796 -9.322 -4.915 1.00 1.00 O ATOM 602 CB ALA A 45 8.212 -10.605 -7.310 1.00 1.00 C ATOM 0 HA ALA A 45 8.241 -11.356 -5.290 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.290 -10.687 -7.446 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.728 -11.498 -7.706 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.845 -9.727 -7.842 1.00 1.00 H new ATOM 608 N ILE A 46 7.898 -8.131 -5.162 1.00 1.00 N ATOM 609 CA ILE A 46 8.481 -6.897 -4.638 1.00 1.00 C ATOM 610 C ILE A 46 7.800 -6.488 -3.335 1.00 1.00 C ATOM 611 O ILE A 46 8.384 -5.789 -2.510 1.00 1.00 O ATOM 612 CB ILE A 46 8.328 -5.773 -5.666 1.00 1.00 C ATOM 613 CG1 ILE A 46 6.870 -5.697 -6.125 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.226 -6.059 -6.871 1.00 1.00 C ATOM 615 CD1 ILE A 46 6.659 -4.428 -6.952 1.00 1.00 C ATOM 0 H ILE A 46 6.920 -8.054 -5.440 1.00 1.00 H new ATOM 0 HA ILE A 46 9.538 -7.074 -4.441 1.00 1.00 H new ATOM 0 HB ILE A 46 8.617 -4.825 -5.213 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.619 -6.576 -6.718 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.206 -5.695 -5.261 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.118 -5.259 -7.604 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.265 -6.115 -6.546 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.936 -7.007 -7.324 1.00 1.00 H new ATOM 0 HD11 ILE A 46 5.620 -4.375 -7.278 1.00 1.00 H new ATOM 0 HD12 ILE A 46 6.893 -3.554 -6.344 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.313 -4.449 -7.824 1.00 1.00 H new ATOM 627 N ALA A 47 6.561 -6.926 -3.158 1.00 1.00 N ATOM 628 CA ALA A 47 5.814 -6.597 -1.950 1.00 1.00 C ATOM 629 C ALA A 47 6.460 -7.231 -0.723 1.00 1.00 C ATOM 630 O ALA A 47 6.246 -6.784 0.404 1.00 1.00 O ATOM 631 CB ALA A 47 4.370 -7.084 -2.078 1.00 1.00 C ATOM 0 H ALA A 47 6.055 -7.505 -3.828 1.00 1.00 H new ATOM 0 HA ALA A 47 5.823 -5.514 -1.829 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.820 -6.834 -1.171 1.00 1.00 H new ATOM 0 HB2 ALA A 47 3.898 -6.601 -2.934 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.362 -8.165 -2.221 1.00 1.00 H new ATOM 637 N ASN A 48 7.252 -8.276 -0.947 1.00 1.00 N ATOM 638 CA ASN A 48 7.921 -8.961 0.151 1.00 1.00 C ATOM 639 C ASN A 48 9.208 -8.238 0.505 1.00 1.00 C ATOM 640 O ASN A 48 9.665 -8.268 1.647 1.00 1.00 O ATOM 641 CB ASN A 48 8.231 -10.409 -0.241 1.00 1.00 C ATOM 642 CG ASN A 48 7.241 -11.349 0.436 1.00 1.00 C ATOM 643 OD1 ASN A 48 7.444 -11.746 1.583 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.168 -11.725 -0.206 1.00 1.00 N ATOM 0 H ASN A 48 7.444 -8.663 -1.871 1.00 1.00 H new ATOM 0 HA ASN A 48 7.261 -8.962 1.018 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.173 -10.523 -1.323 1.00 1.00 H new ATOM 0 HB3 ASN A 48 9.249 -10.665 0.052 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.497 -12.348 0.243 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.001 -11.395 -1.157 1.00 1.00 H new ATOM 651 N PHE A 49 9.785 -7.586 -0.493 1.00 1.00 N ATOM 652 CA PHE A 49 11.021 -6.848 -0.304 1.00 1.00 C ATOM 653 C PHE A 49 10.803 -5.667 0.641 1.00 1.00 C ATOM 654 O PHE A 49 11.710 -4.865 0.865 1.00 1.00 O ATOM 655 CB PHE A 49 11.521 -6.341 -1.654 1.00 1.00 C ATOM 656 CG PHE A 49 12.201 -7.466 -2.397 1.00 1.00 C ATOM 657 CD1 PHE A 49 11.459 -8.583 -2.802 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.570 -7.394 -2.685 1.00 1.00 C ATOM 659 CE1 PHE A 49 12.085 -9.626 -3.495 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.195 -8.437 -3.378 1.00 1.00 C ATOM 661 CZ PHE A 49 13.454 -9.553 -3.782 1.00 1.00 C ATOM 0 H PHE A 49 9.415 -7.554 -1.443 1.00 1.00 H new ATOM 0 HA PHE A 49 11.763 -7.513 0.138 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.687 -5.956 -2.241 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.217 -5.515 -1.509 1.00 1.00 H new ATOM 0 HD1 PHE A 49 10.404 -8.640 -2.580 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.143 -6.534 -2.372 1.00 1.00 H new ATOM 0 HE1 PHE A 49 11.513 -10.487 -3.808 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.250 -8.380 -3.601 1.00 1.00 H new ATOM 0 HZ PHE A 49 13.938 -10.358 -4.315 1.00 1.00 H new ATOM 671 N LEU A 50 9.595 -5.573 1.190 1.00 1.00 N ATOM 672 CA LEU A 50 9.257 -4.493 2.114 1.00 1.00 C ATOM 673 C LEU A 50 8.649 -5.069 3.393 1.00 1.00 C ATOM 674 O LEU A 50 7.476 -5.440 3.419 1.00 1.00 O ATOM 675 CB LEU A 50 8.253 -3.535 1.454 1.00 1.00 C ATOM 676 CG LEU A 50 8.964 -2.626 0.436 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.261 -2.733 -0.919 1.00 1.00 C ATOM 678 CD2 LEU A 50 8.909 -1.172 0.916 1.00 1.00 C ATOM 0 H LEU A 50 8.835 -6.230 1.012 1.00 1.00 H new ATOM 0 HA LEU A 50 10.166 -3.947 2.364 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.470 -4.106 0.955 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.767 -2.926 2.217 1.00 1.00 H new ATOM 0 HG LEU A 50 10.004 -2.939 0.339 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.763 -2.090 -1.641 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.296 -3.765 -1.267 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.222 -2.420 -0.816 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.413 -0.531 0.193 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.869 -0.860 1.014 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.405 -1.089 1.883 1.00 1.00 H new ATOM 690 N GLU A 51 9.457 -5.143 4.447 1.00 1.00 N ATOM 691 CA GLU A 51 8.991 -5.679 5.725 1.00 1.00 C ATOM 692 C GLU A 51 7.627 -5.078 6.085 1.00 1.00 C ATOM 693 O GLU A 51 7.306 -3.972 5.652 1.00 1.00 O ATOM 694 CB GLU A 51 10.015 -5.350 6.818 1.00 1.00 C ATOM 695 CG GLU A 51 11.113 -6.421 6.834 1.00 1.00 C ATOM 696 CD GLU A 51 10.568 -7.717 7.425 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.060 -8.524 6.665 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.633 -7.867 8.635 1.00 1.00 O ATOM 0 H GLU A 51 10.431 -4.841 4.443 1.00 1.00 H new ATOM 0 HA GLU A 51 8.883 -6.761 5.643 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.453 -4.369 6.636 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.523 -5.305 7.790 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.475 -6.597 5.821 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.963 -6.073 7.421 1.00 1.00 H new ATOM 705 N PRO A 52 6.818 -5.777 6.852 1.00 1.00 N ATOM 706 CA PRO A 52 5.461 -5.286 7.247 1.00 1.00 C ATOM 707 C PRO A 52 5.514 -3.963 8.008 1.00 1.00 C ATOM 708 O PRO A 52 4.881 -2.987 7.608 1.00 1.00 O ATOM 709 CB PRO A 52 4.887 -6.401 8.128 1.00 1.00 C ATOM 710 CG PRO A 52 6.045 -7.258 8.520 1.00 1.00 C ATOM 711 CD PRO A 52 7.096 -7.104 7.425 1.00 1.00 C ATOM 0 HA PRO A 52 4.847 -5.081 6.370 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.393 -5.987 9.007 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.140 -6.980 7.586 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.445 -6.950 9.486 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.739 -8.300 8.619 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.106 -7.161 7.830 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.009 -7.890 6.674 1.00 1.00 H new ATOM 719 N GLN A 53 6.267 -3.935 9.104 1.00 1.00 N ATOM 720 CA GLN A 53 6.377 -2.716 9.898 1.00 1.00 C ATOM 721 C GLN A 53 6.965 -1.597 9.050 1.00 1.00 C ATOM 722 O GLN A 53 6.460 -0.474 9.043 1.00 1.00 O ATOM 723 CB GLN A 53 7.263 -2.958 11.121 1.00 1.00 C ATOM 724 CG GLN A 53 6.680 -2.215 12.325 1.00 1.00 C ATOM 725 CD GLN A 53 7.735 -2.077 13.417 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.894 -1.779 13.128 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.400 -2.272 14.662 1.00 1.00 N ATOM 0 H GLN A 53 6.802 -4.728 9.458 1.00 1.00 H new ATOM 0 HA GLN A 53 5.382 -2.427 10.235 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.325 -4.025 11.333 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.278 -2.613 10.923 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.331 -1.229 12.019 1.00 1.00 H new ATOM 0 HG3 GLN A 53 5.815 -2.754 12.711 1.00 1.00 H new ATOM 0 HE21 GLN A 53 6.439 -2.519 14.899 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.099 -2.178 15.399 1.00 1.00 H new ATOM 736 N ALA A 54 8.028 -1.918 8.323 1.00 1.00 N ATOM 737 CA ALA A 54 8.672 -0.940 7.458 1.00 1.00 C ATOM 738 C ALA A 54 7.688 -0.450 6.405 1.00 1.00 C ATOM 739 O ALA A 54 7.782 0.680 5.927 1.00 1.00 O ATOM 740 CB ALA A 54 9.884 -1.567 6.769 1.00 1.00 C ATOM 0 H ALA A 54 8.460 -2.842 8.315 1.00 1.00 H new ATOM 0 HA ALA A 54 9.000 -0.097 8.066 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.359 -0.828 6.124 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.597 -1.903 7.522 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.562 -2.418 6.169 1.00 1.00 H new ATOM 746 N LEU A 55 6.743 -1.313 6.049 1.00 1.00 N ATOM 747 CA LEU A 55 5.741 -0.962 5.046 1.00 1.00 C ATOM 748 C LEU A 55 4.940 0.254 5.494 1.00 1.00 C ATOM 749 O LEU A 55 4.608 1.124 4.687 1.00 1.00 O ATOM 750 CB LEU A 55 4.788 -2.140 4.818 1.00 1.00 C ATOM 751 CG LEU A 55 4.603 -2.366 3.315 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.640 -3.533 3.090 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.026 -1.102 2.672 1.00 1.00 C ATOM 0 H LEU A 55 6.649 -2.252 6.435 1.00 1.00 H new ATOM 0 HA LEU A 55 6.257 -0.726 4.115 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.188 -3.040 5.285 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.825 -1.938 5.287 1.00 1.00 H new ATOM 0 HG LEU A 55 5.568 -2.595 2.863 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.508 -3.695 2.020 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.049 -4.435 3.545 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.676 -3.302 3.544 1.00 1.00 H new ATOM 0 HD21 LEU A 55 3.895 -1.265 1.602 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.062 -0.871 3.124 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.710 -0.268 2.831 1.00 1.00 H new ATOM 765 N GLU A 56 4.632 0.307 6.784 1.00 1.00 N ATOM 766 CA GLU A 56 3.865 1.419 7.332 1.00 1.00 C ATOM 767 C GLU A 56 4.662 2.718 7.261 1.00 1.00 C ATOM 768 O GLU A 56 4.102 3.787 7.019 1.00 1.00 O ATOM 769 CB GLU A 56 3.492 1.127 8.786 1.00 1.00 C ATOM 770 CG GLU A 56 2.665 2.286 9.344 1.00 1.00 C ATOM 771 CD GLU A 56 2.022 1.880 10.666 1.00 1.00 C ATOM 772 OE1 GLU A 56 1.284 0.909 10.669 1.00 1.00 O ATOM 773 OE2 GLU A 56 2.277 2.548 11.655 1.00 1.00 O ATOM 0 H GLU A 56 4.899 -0.402 7.467 1.00 1.00 H new ATOM 0 HA GLU A 56 2.959 1.534 6.737 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.924 0.199 8.847 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.393 0.989 9.383 1.00 1.00 H new ATOM 0 HG2 GLU A 56 3.301 3.159 9.493 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.894 2.571 8.628 1.00 1.00 H new ATOM 780 N ARG A 57 5.970 2.622 7.483 1.00 1.00 N ATOM 781 CA ARG A 57 6.824 3.797 7.453 1.00 1.00 C ATOM 782 C ARG A 57 6.749 4.493 6.099 1.00 1.00 C ATOM 783 O ARG A 57 6.434 5.679 6.021 1.00 1.00 O ATOM 784 CB ARG A 57 8.266 3.370 7.751 1.00 1.00 C ATOM 785 CG ARG A 57 9.225 4.554 7.607 1.00 1.00 C ATOM 786 CD ARG A 57 8.817 5.672 8.564 1.00 1.00 C ATOM 787 NE ARG A 57 10.005 6.308 9.090 1.00 1.00 N ATOM 788 CZ ARG A 57 9.959 7.533 9.606 1.00 1.00 C ATOM 789 NH1 ARG A 57 8.830 8.186 9.636 1.00 1.00 N ATOM 790 NH2 ARG A 57 11.044 8.081 10.081 1.00 1.00 N ATOM 0 H ARG A 57 6.455 1.748 7.684 1.00 1.00 H new ATOM 0 HA ARG A 57 6.483 4.505 8.209 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.329 2.966 8.762 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.562 2.572 7.070 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.245 4.235 7.820 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.213 4.920 6.580 1.00 1.00 H new ATOM 0 HD2 ARG A 57 8.199 6.404 8.044 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.216 5.268 9.379 1.00 1.00 H new ATOM 0 HE ARG A 57 10.894 5.808 9.065 1.00 1.00 H new ATOM 0 HH11 ARG A 57 7.983 7.757 9.264 1.00 1.00 H new ATOM 0 HH12 ARG A 57 8.795 9.125 10.032 1.00 1.00 H new ATOM 0 HH21 ARG A 57 11.926 7.570 10.056 1.00 1.00 H new ATOM 0 HH22 ARG A 57 11.010 9.020 10.477 1.00 1.00 H new ATOM 804 N LEU A 58 7.040 3.753 5.033 1.00 1.00 N ATOM 805 CA LEU A 58 7.001 4.331 3.696 1.00 1.00 C ATOM 806 C LEU A 58 5.622 4.940 3.440 1.00 1.00 C ATOM 807 O LEU A 58 5.495 5.968 2.774 1.00 1.00 O ATOM 808 CB LEU A 58 7.301 3.252 2.647 1.00 1.00 C ATOM 809 CG LEU A 58 7.339 3.870 1.241 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.460 4.910 1.156 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.598 2.769 0.212 1.00 1.00 C ATOM 0 H LEU A 58 7.301 2.768 5.068 1.00 1.00 H new ATOM 0 HA LEU A 58 7.758 5.112 3.622 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.256 2.776 2.868 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.540 2.473 2.689 1.00 1.00 H new ATOM 0 HG LEU A 58 6.383 4.353 1.037 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.480 5.343 0.156 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.282 5.697 1.889 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.417 4.431 1.363 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.626 3.204 -0.787 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.553 2.289 0.425 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.800 2.028 0.263 1.00 1.00 H new ATOM 823 N SER A 59 4.595 4.297 3.979 1.00 1.00 N ATOM 824 CA SER A 59 3.230 4.787 3.825 1.00 1.00 C ATOM 825 C SER A 59 3.044 6.112 4.568 1.00 1.00 C ATOM 826 O SER A 59 2.396 7.032 4.070 1.00 1.00 O ATOM 827 CB SER A 59 2.242 3.754 4.368 1.00 1.00 C ATOM 828 OG SER A 59 0.945 4.030 3.856 1.00 1.00 O ATOM 0 H SER A 59 4.679 3.439 4.524 1.00 1.00 H new ATOM 0 HA SER A 59 3.041 4.950 2.764 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.553 2.750 4.080 1.00 1.00 H new ATOM 0 HB3 SER A 59 2.229 3.784 5.458 1.00 1.00 H new ATOM 0 HG SER A 59 0.310 3.369 4.201 1.00 1.00 H new ATOM 834 N ARG A 60 3.598 6.181 5.778 1.00 1.00 N ATOM 835 CA ARG A 60 3.476 7.374 6.619 1.00 1.00 C ATOM 836 C ARG A 60 4.163 8.587 5.998 1.00 1.00 C ATOM 837 O ARG A 60 3.601 9.684 5.980 1.00 1.00 O ATOM 838 CB ARG A 60 4.098 7.101 7.989 1.00 1.00 C ATOM 839 CG ARG A 60 3.818 8.280 8.926 1.00 1.00 C ATOM 840 CD ARG A 60 4.131 7.874 10.366 1.00 1.00 C ATOM 841 NE ARG A 60 3.252 6.789 10.787 1.00 1.00 N ATOM 842 CZ ARG A 60 3.352 6.253 11.999 1.00 1.00 C ATOM 843 NH1 ARG A 60 4.249 6.698 12.836 1.00 1.00 N ATOM 844 NH2 ARG A 60 2.556 5.280 12.351 1.00 1.00 N ATOM 0 H ARG A 60 4.137 5.424 6.199 1.00 1.00 H new ATOM 0 HA ARG A 60 2.414 7.598 6.715 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.687 6.184 8.410 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.173 6.951 7.888 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.425 9.138 8.639 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.775 8.585 8.842 1.00 1.00 H new ATOM 0 HD2 ARG A 60 5.172 7.560 10.445 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.006 8.731 11.028 1.00 1.00 H new ATOM 0 HE ARG A 60 2.548 6.435 10.140 1.00 1.00 H new ATOM 0 HH11 ARG A 60 4.872 7.457 12.560 1.00 1.00 H new ATOM 0 HH12 ARG A 60 4.327 6.287 13.766 1.00 1.00 H new ATOM 0 HH21 ARG A 60 1.857 4.931 11.696 1.00 1.00 H new ATOM 0 HH22 ARG A 60 2.633 4.869 13.281 1.00 1.00 H new ATOM 858 N VAL A 61 5.378 8.395 5.501 1.00 1.00 N ATOM 859 CA VAL A 61 6.127 9.492 4.895 1.00 1.00 C ATOM 860 C VAL A 61 5.467 9.944 3.594 1.00 1.00 C ATOM 861 O VAL A 61 5.342 11.141 3.337 1.00 1.00 O ATOM 862 CB VAL A 61 7.571 9.055 4.622 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.569 7.798 3.768 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.319 10.171 3.890 1.00 1.00 C ATOM 0 H VAL A 61 5.864 7.498 5.504 1.00 1.00 H new ATOM 0 HA VAL A 61 6.131 10.331 5.591 1.00 1.00 H new ATOM 0 HB VAL A 61 8.070 8.849 5.569 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.596 7.488 3.574 1.00 1.00 H new ATOM 0 HG12 VAL A 61 7.043 7.002 4.294 1.00 1.00 H new ATOM 0 HG13 VAL A 61 7.067 8.002 2.822 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.345 9.856 3.698 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.821 10.383 2.944 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.325 11.070 4.506 1.00 1.00 H new ATOM 874 N ALA A 62 5.051 8.982 2.777 1.00 1.00 N ATOM 875 CA ALA A 62 4.410 9.296 1.505 1.00 1.00 C ATOM 876 C ALA A 62 3.238 10.250 1.709 1.00 1.00 C ATOM 877 O ALA A 62 3.004 11.146 0.897 1.00 1.00 O ATOM 878 CB ALA A 62 3.913 8.011 0.840 1.00 1.00 C ATOM 0 H ALA A 62 5.145 7.985 2.971 1.00 1.00 H new ATOM 0 HA ALA A 62 5.146 9.779 0.862 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.436 8.254 -0.109 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.756 7.344 0.662 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.192 7.519 1.493 1.00 1.00 H new ATOM 884 N LEU A 63 2.500 10.050 2.795 1.00 1.00 N ATOM 885 CA LEU A 63 1.350 10.898 3.092 1.00 1.00 C ATOM 886 C LEU A 63 1.781 12.352 3.260 1.00 1.00 C ATOM 887 O LEU A 63 0.963 13.266 3.147 1.00 1.00 O ATOM 888 CB LEU A 63 0.666 10.421 4.375 1.00 1.00 C ATOM 889 CG LEU A 63 -0.197 9.195 4.072 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.309 8.328 5.327 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.594 9.647 3.641 1.00 1.00 C ATOM 0 H LEU A 63 2.675 9.315 3.480 1.00 1.00 H new ATOM 0 HA LEU A 63 0.652 10.831 2.258 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.415 10.174 5.128 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.049 11.219 4.788 1.00 1.00 H new ATOM 0 HG LEU A 63 0.262 8.618 3.270 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.924 7.454 5.112 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.685 8.005 5.636 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.768 8.906 6.129 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.209 8.773 3.425 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.053 10.224 4.443 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.517 10.266 2.747 1.00 1.00 H new ATOM 903 N VAL A 64 3.064 12.559 3.542 1.00 1.00 N ATOM 904 CA VAL A 64 3.588 13.907 3.735 1.00 1.00 C ATOM 905 C VAL A 64 4.424 14.348 2.538 1.00 1.00 C ATOM 906 O VAL A 64 4.288 15.474 2.059 1.00 1.00 O ATOM 907 CB VAL A 64 4.446 13.954 5.001 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.187 15.264 5.745 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.079 12.775 5.908 1.00 1.00 C ATOM 0 H VAL A 64 3.756 11.816 3.641 1.00 1.00 H new ATOM 0 HA VAL A 64 2.743 14.588 3.836 1.00 1.00 H new ATOM 0 HB VAL A 64 5.499 13.892 4.728 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.798 15.297 6.647 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.444 16.105 5.101 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.134 15.325 6.018 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.689 12.807 6.811 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.025 12.839 6.180 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.261 11.839 5.380 1.00 1.00 H new ATOM 919 N ARG A 65 5.287 13.458 2.055 1.00 1.00 N ATOM 920 CA ARG A 65 6.135 13.776 0.909 1.00 1.00 C ATOM 921 C ARG A 65 6.220 12.593 -0.049 1.00 1.00 C ATOM 922 O ARG A 65 7.158 11.799 0.009 1.00 1.00 O ATOM 923 CB ARG A 65 7.546 14.146 1.372 1.00 1.00 C ATOM 924 CG ARG A 65 7.551 15.557 1.971 1.00 1.00 C ATOM 925 CD ARG A 65 7.815 16.589 0.871 1.00 1.00 C ATOM 926 NE ARG A 65 7.834 17.933 1.436 1.00 1.00 N ATOM 927 CZ ARG A 65 7.748 19.008 0.660 1.00 1.00 C ATOM 928 NH1 ARG A 65 7.636 18.871 -0.633 1.00 1.00 N ATOM 929 NH2 ARG A 65 7.773 20.200 1.189 1.00 1.00 N ATOM 0 H ARG A 65 5.417 12.520 2.434 1.00 1.00 H new ATOM 0 HA ARG A 65 5.687 14.624 0.391 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.894 13.427 2.113 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.238 14.097 0.531 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.594 15.761 2.451 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.317 15.631 2.743 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.767 16.378 0.385 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.043 16.520 0.104 1.00 1.00 H new ATOM 0 HE ARG A 65 7.915 18.050 2.446 1.00 1.00 H new ATOM 0 HH11 ARG A 65 7.615 17.939 -1.047 1.00 1.00 H new ATOM 0 HH12 ARG A 65 7.570 19.696 -1.229 1.00 1.00 H new ATOM 0 HH21 ARG A 65 7.859 20.308 2.200 1.00 1.00 H new ATOM 0 HH22 ARG A 65 7.707 21.024 0.592 1.00 1.00 H new ATOM 943 N ARG A 66 5.237 12.488 -0.934 1.00 1.00 N ATOM 944 CA ARG A 66 5.209 11.406 -1.910 1.00 1.00 C ATOM 945 C ARG A 66 6.448 11.455 -2.801 1.00 1.00 C ATOM 946 O ARG A 66 6.933 10.423 -3.267 1.00 1.00 O ATOM 947 CB ARG A 66 3.952 11.514 -2.775 1.00 1.00 C ATOM 948 CG ARG A 66 2.972 10.404 -2.394 1.00 1.00 C ATOM 949 CD ARG A 66 1.706 10.524 -3.243 1.00 1.00 C ATOM 950 NE ARG A 66 0.575 10.918 -2.410 1.00 1.00 N ATOM 951 CZ ARG A 66 -0.092 10.023 -1.690 1.00 1.00 C ATOM 952 NH1 ARG A 66 0.260 8.766 -1.721 1.00 1.00 N ATOM 953 NH2 ARG A 66 -1.099 10.401 -0.951 1.00 1.00 N ATOM 0 H ARG A 66 4.452 13.136 -0.996 1.00 1.00 H new ATOM 0 HA ARG A 66 5.199 10.458 -1.372 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.485 12.489 -2.636 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.216 11.434 -3.830 1.00 1.00 H new ATOM 0 HG2 ARG A 66 3.434 9.429 -2.548 1.00 1.00 H new ATOM 0 HG3 ARG A 66 2.720 10.475 -1.336 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.858 11.259 -4.033 1.00 1.00 H new ATOM 0 HD3 ARG A 66 1.494 9.572 -3.729 1.00 1.00 H new ATOM 0 HE ARG A 66 0.292 11.897 -2.380 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.047 8.471 -2.298 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -0.252 8.079 -1.168 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -1.373 11.383 -0.927 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.612 9.714 -0.398 1.00 1.00 H new ATOM 967 N ASP A 67 6.952 12.663 -3.036 1.00 1.00 N ATOM 968 CA ASP A 67 8.133 12.842 -3.877 1.00 1.00 C ATOM 969 C ASP A 67 9.319 12.060 -3.320 1.00 1.00 C ATOM 970 O ASP A 67 10.022 11.369 -4.059 1.00 1.00 O ATOM 971 CB ASP A 67 8.494 14.324 -3.965 1.00 1.00 C ATOM 972 CG ASP A 67 9.053 14.642 -5.347 1.00 1.00 C ATOM 973 OD1 ASP A 67 9.982 13.967 -5.757 1.00 1.00 O ATOM 974 OD2 ASP A 67 8.541 15.553 -5.978 1.00 1.00 O ATOM 0 H ASP A 67 6.565 13.528 -2.659 1.00 1.00 H new ATOM 0 HA ASP A 67 7.902 12.464 -4.873 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.612 14.934 -3.771 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.229 14.574 -3.200 1.00 1.00 H new ATOM 979 N ARG A 68 9.539 12.173 -2.016 1.00 1.00 N ATOM 980 CA ARG A 68 10.645 11.471 -1.376 1.00 1.00 C ATOM 981 C ARG A 68 10.381 9.968 -1.360 1.00 1.00 C ATOM 982 O ARG A 68 11.279 9.165 -1.623 1.00 1.00 O ATOM 983 CB ARG A 68 10.820 11.980 0.055 1.00 1.00 C ATOM 984 CG ARG A 68 11.684 13.245 0.046 1.00 1.00 C ATOM 985 CD ARG A 68 11.249 14.177 1.180 1.00 1.00 C ATOM 986 NE ARG A 68 12.363 15.026 1.591 1.00 1.00 N ATOM 987 CZ ARG A 68 12.176 16.049 2.417 1.00 1.00 C ATOM 988 NH1 ARG A 68 10.982 16.313 2.871 1.00 1.00 N ATOM 989 NH2 ARG A 68 13.189 16.793 2.772 1.00 1.00 N ATOM 0 H ARG A 68 8.972 12.739 -1.385 1.00 1.00 H new ATOM 0 HA ARG A 68 11.557 11.661 -1.942 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.847 12.195 0.497 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.288 11.212 0.671 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.735 12.980 0.163 1.00 1.00 H new ATOM 0 HG3 ARG A 68 11.589 13.755 -0.913 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.413 14.795 0.852 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.898 13.590 2.028 1.00 1.00 H new ATOM 0 HE ARG A 68 13.300 14.830 1.238 1.00 1.00 H new ATOM 0 HH11 ARG A 68 10.191 15.733 2.592 1.00 1.00 H new ATOM 0 HH12 ARG A 68 10.840 17.099 3.505 1.00 1.00 H new ATOM 0 HH21 ARG A 68 14.122 16.588 2.415 1.00 1.00 H new ATOM 0 HH22 ARG A 68 13.047 17.579 3.406 1.00 1.00 H new ATOM 1003 N ALA A 69 9.142 9.596 -1.065 1.00 1.00 N ATOM 1004 CA ALA A 69 8.763 8.187 -1.031 1.00 1.00 C ATOM 1005 C ALA A 69 8.839 7.578 -2.429 1.00 1.00 C ATOM 1006 O ALA A 69 9.016 6.370 -2.583 1.00 1.00 O ATOM 1007 CB ALA A 69 7.341 8.041 -0.486 1.00 1.00 C ATOM 0 H ALA A 69 8.386 10.245 -0.847 1.00 1.00 H new ATOM 0 HA ALA A 69 9.458 7.659 -0.378 1.00 1.00 H new ATOM 0 HB1 ALA A 69 7.066 6.986 -0.464 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.295 8.449 0.524 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.648 8.583 -1.129 1.00 1.00 H new ATOM 1013 N GLN A 70 8.696 8.427 -3.442 1.00 1.00 N ATOM 1014 CA GLN A 70 8.737 7.971 -4.827 1.00 1.00 C ATOM 1015 C GLN A 70 10.130 7.480 -5.207 1.00 1.00 C ATOM 1016 O GLN A 70 10.276 6.502 -5.940 1.00 1.00 O ATOM 1017 CB GLN A 70 8.333 9.115 -5.757 1.00 1.00 C ATOM 1018 CG GLN A 70 6.862 8.965 -6.144 1.00 1.00 C ATOM 1019 CD GLN A 70 6.397 10.191 -6.920 1.00 1.00 C ATOM 1020 OE1 GLN A 70 5.314 10.180 -7.506 1.00 1.00 O ATOM 1021 NE2 GLN A 70 7.153 11.255 -6.963 1.00 1.00 N ATOM 0 H GLN A 70 8.551 9.431 -3.331 1.00 1.00 H new ATOM 0 HA GLN A 70 8.039 7.140 -4.930 1.00 1.00 H new ATOM 0 HB2 GLN A 70 8.494 10.073 -5.263 1.00 1.00 H new ATOM 0 HB3 GLN A 70 8.957 9.109 -6.651 1.00 1.00 H new ATOM 0 HG2 GLN A 70 6.727 8.069 -6.750 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.253 8.839 -5.249 1.00 1.00 H new ATOM 0 HE21 GLN A 70 8.050 11.263 -6.477 1.00 1.00 H new ATOM 0 HE22 GLN A 70 6.847 12.078 -7.482 1.00 1.00 H new ATOM 1030 N ALA A 71 11.152 8.164 -4.711 1.00 1.00 N ATOM 1031 CA ALA A 71 12.524 7.783 -5.018 1.00 1.00 C ATOM 1032 C ALA A 71 12.931 6.543 -4.226 1.00 1.00 C ATOM 1033 O ALA A 71 13.755 5.749 -4.680 1.00 1.00 O ATOM 1034 CB ALA A 71 13.471 8.942 -4.705 1.00 1.00 C ATOM 0 H ALA A 71 11.060 8.976 -4.101 1.00 1.00 H new ATOM 0 HA ALA A 71 12.588 7.547 -6.080 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.495 8.648 -4.937 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.197 9.809 -5.306 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.398 9.196 -3.648 1.00 1.00 H new ATOM 1040 N VAL A 72 12.347 6.377 -3.040 1.00 1.00 N ATOM 1041 CA VAL A 72 12.663 5.221 -2.204 1.00 1.00 C ATOM 1042 C VAL A 72 12.284 3.931 -2.918 1.00 1.00 C ATOM 1043 O VAL A 72 13.077 2.989 -2.992 1.00 1.00 O ATOM 1044 CB VAL A 72 11.901 5.309 -0.878 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.234 4.095 -0.011 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.308 6.584 -0.136 1.00 1.00 C ATOM 0 H VAL A 72 11.662 7.019 -2.641 1.00 1.00 H new ATOM 0 HA VAL A 72 13.735 5.220 -2.008 1.00 1.00 H new ATOM 0 HB VAL A 72 10.830 5.329 -1.081 1.00 1.00 H new ATOM 0 HG11 VAL A 72 11.690 4.161 0.931 1.00 1.00 H new ATOM 0 HG12 VAL A 72 11.944 3.184 -0.534 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.305 4.074 0.189 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.765 6.645 0.807 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.379 6.563 0.063 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.070 7.453 -0.749 1.00 1.00 H new ATOM 1056 N GLU A 73 11.069 3.898 -3.443 1.00 1.00 N ATOM 1057 CA GLU A 73 10.590 2.719 -4.153 1.00 1.00 C ATOM 1058 C GLU A 73 11.405 2.502 -5.423 1.00 1.00 C ATOM 1059 O GLU A 73 11.651 1.365 -5.826 1.00 1.00 O ATOM 1060 CB GLU A 73 9.109 2.877 -4.505 1.00 1.00 C ATOM 1061 CG GLU A 73 8.884 4.221 -5.198 1.00 1.00 C ATOM 1062 CD GLU A 73 7.423 4.350 -5.619 1.00 1.00 C ATOM 1063 OE1 GLU A 73 6.589 4.524 -4.746 1.00 1.00 O ATOM 1064 OE2 GLU A 73 7.162 4.272 -6.809 1.00 1.00 O ATOM 0 H GLU A 73 10.400 4.667 -3.393 1.00 1.00 H new ATOM 0 HA GLU A 73 10.708 1.851 -3.504 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.792 2.063 -5.157 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.502 2.817 -3.602 1.00 1.00 H new ATOM 0 HG2 GLU A 73 9.151 5.036 -4.525 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.532 4.303 -6.071 1.00 1.00 H new ATOM 1071 N THR A 74 11.822 3.598 -6.050 1.00 1.00 N ATOM 1072 CA THR A 74 12.609 3.513 -7.272 1.00 1.00 C ATOM 1073 C THR A 74 14.003 2.968 -6.976 1.00 1.00 C ATOM 1074 O THR A 74 14.615 2.313 -7.820 1.00 1.00 O ATOM 1075 CB THR A 74 12.725 4.895 -7.917 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.466 5.549 -7.859 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.157 4.746 -9.377 1.00 1.00 C ATOM 0 H THR A 74 11.629 4.548 -5.734 1.00 1.00 H new ATOM 0 HA THR A 74 12.105 2.834 -7.959 1.00 1.00 H new ATOM 0 HB THR A 74 13.468 5.485 -7.380 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.380 6.017 -7.002 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.239 5.732 -9.835 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.124 4.244 -9.421 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.417 4.156 -9.917 1.00 1.00 H new ATOM 1085 N TYR A 75 14.500 3.243 -5.774 1.00 1.00 N ATOM 1086 CA TYR A 75 15.824 2.774 -5.383 1.00 1.00 C ATOM 1087 C TYR A 75 15.849 1.249 -5.320 1.00 1.00 C ATOM 1088 O TYR A 75 16.739 0.607 -5.879 1.00 1.00 O ATOM 1089 CB TYR A 75 16.186 3.354 -4.014 1.00 1.00 C ATOM 1090 CG TYR A 75 17.493 2.771 -3.541 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.512 1.532 -2.890 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.688 3.469 -3.751 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.723 0.991 -2.448 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.901 2.928 -3.310 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.919 1.689 -2.658 1.00 1.00 C ATOM 1096 OH TYR A 75 21.116 1.156 -2.222 1.00 1.00 O ATOM 0 H TYR A 75 14.011 3.783 -5.060 1.00 1.00 H new ATOM 0 HA TYR A 75 16.551 3.105 -6.124 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.264 4.439 -4.078 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.397 3.132 -3.295 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.590 0.993 -2.729 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.674 4.425 -4.253 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.736 0.035 -1.945 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.823 3.466 -3.473 1.00 1.00 H new ATOM 0 HH TYR A 75 21.848 1.767 -2.448 1.00 1.00 H new ATOM 1106 N LEU A 76 14.860 0.677 -4.643 1.00 1.00 N ATOM 1107 CA LEU A 76 14.763 -0.774 -4.513 1.00 1.00 C ATOM 1108 C LEU A 76 14.541 -1.430 -5.875 1.00 1.00 C ATOM 1109 O LEU A 76 15.104 -2.486 -6.161 1.00 1.00 O ATOM 1110 CB LEU A 76 13.598 -1.122 -3.578 1.00 1.00 C ATOM 1111 CG LEU A 76 13.428 -2.643 -3.463 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.716 -3.268 -2.929 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.281 -2.949 -2.496 1.00 1.00 C ATOM 0 H LEU A 76 14.115 1.194 -4.176 1.00 1.00 H new ATOM 0 HA LEU A 76 15.698 -1.151 -4.099 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.778 -0.696 -2.591 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.678 -0.676 -3.955 1.00 1.00 H new ATOM 0 HG LEU A 76 13.206 -3.058 -4.446 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.591 -4.348 -2.849 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.537 -3.048 -3.611 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.940 -2.855 -1.946 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.156 -4.028 -2.410 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.510 -2.531 -1.516 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.359 -2.505 -2.873 1.00 1.00 H new ATOM 1125 N LYS A 77 13.710 -0.807 -6.706 1.00 1.00 N ATOM 1126 CA LYS A 77 13.417 -1.352 -8.023 1.00 1.00 C ATOM 1127 C LYS A 77 14.703 -1.509 -8.829 1.00 1.00 C ATOM 1128 O LYS A 77 14.863 -2.475 -9.575 1.00 1.00 O ATOM 1129 CB LYS A 77 12.422 -0.426 -8.742 1.00 1.00 C ATOM 1130 CG LYS A 77 12.768 -0.303 -10.228 1.00 1.00 C ATOM 1131 CD LYS A 77 11.608 0.373 -10.966 1.00 1.00 C ATOM 1132 CE LYS A 77 11.410 1.794 -10.434 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.742 2.626 -11.474 1.00 1.00 N ATOM 0 H LYS A 77 13.232 0.068 -6.491 1.00 1.00 H new ATOM 0 HA LYS A 77 12.968 -2.340 -7.920 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.410 -0.816 -8.631 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.436 0.560 -8.278 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.681 0.279 -10.353 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.958 -1.289 -10.651 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.814 0.401 -12.036 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.694 -0.205 -10.832 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.806 1.773 -9.527 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.372 2.231 -10.166 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.607 3.592 -11.112 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.334 2.656 -12.328 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.817 2.212 -11.708 1.00 1.00 H new ATOM 1147 N LYS A 78 15.616 -0.558 -8.674 1.00 1.00 N ATOM 1148 CA LYS A 78 16.881 -0.609 -9.395 1.00 1.00 C ATOM 1149 C LYS A 78 17.725 -1.785 -8.913 1.00 1.00 C ATOM 1150 O LYS A 78 18.401 -2.442 -9.703 1.00 1.00 O ATOM 1151 CB LYS A 78 17.652 0.694 -9.191 1.00 1.00 C ATOM 1152 CG LYS A 78 18.987 0.620 -9.935 1.00 1.00 C ATOM 1153 CD LYS A 78 19.456 2.033 -10.287 1.00 1.00 C ATOM 1154 CE LYS A 78 18.846 2.455 -11.625 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.734 3.940 -11.674 1.00 1.00 N ATOM 0 H LYS A 78 15.506 0.250 -8.062 1.00 1.00 H new ATOM 0 HA LYS A 78 16.668 -0.741 -10.456 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.066 1.537 -9.557 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.825 0.864 -8.128 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.733 0.122 -9.316 1.00 1.00 H new ATOM 0 HG3 LYS A 78 18.877 0.026 -10.842 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.160 2.731 -9.504 1.00 1.00 H new ATOM 0 HD3 LYS A 78 20.544 2.062 -10.346 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.466 2.099 -12.448 1.00 1.00 H new ATOM 0 HE3 LYS A 78 17.863 2.001 -11.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 18.319 4.227 -12.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.125 4.268 -10.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.679 4.363 -11.576 1.00 1.00 H new ATOM 1169 N LEU A 79 17.683 -2.041 -7.609 1.00 1.00 N ATOM 1170 CA LEU A 79 18.449 -3.141 -7.035 1.00 1.00 C ATOM 1171 C LEU A 79 17.889 -4.487 -7.487 1.00 1.00 C ATOM 1172 O LEU A 79 18.636 -5.369 -7.911 1.00 1.00 O ATOM 1173 CB LEU A 79 18.411 -3.059 -5.506 1.00 1.00 C ATOM 1174 CG LEU A 79 19.654 -2.324 -4.999 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.717 -0.930 -5.624 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.583 -2.195 -3.474 1.00 1.00 C ATOM 0 H LEU A 79 17.133 -1.508 -6.936 1.00 1.00 H new ATOM 0 HA LEU A 79 19.479 -3.058 -7.382 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.510 -2.537 -5.182 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.370 -4.061 -5.079 1.00 1.00 H new ATOM 0 HG LEU A 79 20.545 -2.886 -5.277 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.603 -0.408 -5.262 1.00 1.00 H new ATOM 0 HD12 LEU A 79 19.767 -1.020 -6.709 1.00 1.00 H new ATOM 0 HD13 LEU A 79 18.826 -0.367 -5.347 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.468 -1.672 -3.112 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.691 -1.634 -3.198 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.540 -3.188 -3.026 1.00 1.00 H new ATOM 1188 N ILE A 80 16.570 -4.639 -7.396 1.00 1.00 N ATOM 1189 CA ILE A 80 15.924 -5.884 -7.802 1.00 1.00 C ATOM 1190 C ILE A 80 15.996 -6.064 -9.315 1.00 1.00 C ATOM 1191 O ILE A 80 16.291 -7.152 -9.808 1.00 1.00 O ATOM 1192 CB ILE A 80 14.460 -5.888 -7.356 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.397 -5.794 -5.828 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.789 -7.185 -7.817 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.948 -5.588 -5.382 1.00 1.00 C ATOM 0 H ILE A 80 15.933 -3.923 -7.048 1.00 1.00 H new ATOM 0 HA ILE A 80 16.451 -6.710 -7.325 1.00 1.00 H new ATOM 0 HB ILE A 80 13.941 -5.037 -7.796 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.799 -6.703 -5.381 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.016 -4.967 -5.479 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.746 -7.188 -7.499 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.838 -7.253 -8.904 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.305 -8.038 -7.376 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.908 -5.522 -4.295 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.561 -4.666 -5.816 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.341 -6.429 -5.717 1.00 1.00 H new ATOM 1207 N ALA A 81 15.719 -4.989 -10.048 1.00 1.00 N ATOM 1208 CA ALA A 81 15.750 -5.040 -11.505 1.00 1.00 C ATOM 1209 C ALA A 81 17.141 -5.418 -11.999 1.00 1.00 C ATOM 1210 O ALA A 81 17.288 -6.071 -13.032 1.00 1.00 O ATOM 1211 CB ALA A 81 15.354 -3.682 -12.084 1.00 1.00 C ATOM 0 H ALA A 81 15.472 -4.079 -9.660 1.00 1.00 H new ATOM 0 HA ALA A 81 15.040 -5.798 -11.837 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.380 -3.729 -13.173 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.347 -3.426 -11.756 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.053 -2.921 -11.737 1.00 1.00 H new ATOM 1306 N LYS A 88 15.888 -6.976 1.363 1.00 1.00 N ATOM 1307 CA LYS A 88 14.508 -6.514 1.467 1.00 1.00 C ATOM 1308 C LYS A 88 14.451 -5.200 2.238 1.00 1.00 C ATOM 1309 O LYS A 88 14.837 -5.141 3.406 1.00 1.00 O ATOM 1310 CB LYS A 88 13.657 -7.564 2.186 1.00 1.00 C ATOM 1311 CG LYS A 88 13.682 -8.877 1.397 1.00 1.00 C ATOM 1312 CD LYS A 88 14.666 -9.852 2.048 1.00 1.00 C ATOM 1313 CE LYS A 88 14.023 -10.479 3.287 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.529 -11.845 2.952 1.00 1.00 N ATOM 0 HA LYS A 88 14.116 -6.358 0.462 1.00 1.00 H new ATOM 0 HB2 LYS A 88 14.038 -7.727 3.194 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.632 -7.208 2.287 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.684 -9.316 1.371 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.974 -8.686 0.364 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.946 -10.630 1.338 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.581 -9.329 2.326 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.748 -10.532 4.099 1.00 1.00 H new ATOM 0 HE3 LYS A 88 13.198 -9.858 3.636 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.092 -12.272 3.793 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.824 -11.782 2.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 14.326 -12.435 2.639 1.00 1.00 H new ATOM 1328 N ILE A 89 13.976 -4.146 1.581 1.00 1.00 N ATOM 1329 CA ILE A 89 13.886 -2.843 2.230 1.00 1.00 C ATOM 1330 C ILE A 89 13.347 -2.995 3.647 1.00 1.00 C ATOM 1331 O ILE A 89 12.499 -3.847 3.914 1.00 1.00 O ATOM 1332 CB ILE A 89 12.988 -1.895 1.404 1.00 1.00 C ATOM 1333 CG1 ILE A 89 13.881 -0.874 0.679 1.00 1.00 C ATOM 1334 CG2 ILE A 89 11.988 -1.152 2.316 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.026 0.081 -0.158 1.00 1.00 C ATOM 0 H ILE A 89 13.652 -4.167 0.614 1.00 1.00 H new ATOM 0 HA ILE A 89 14.884 -2.409 2.287 1.00 1.00 H new ATOM 0 HB ILE A 89 12.420 -2.482 0.682 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.463 -0.309 1.407 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.592 -1.394 0.037 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.367 -0.491 1.712 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.355 -1.877 2.828 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.535 -0.563 3.052 1.00 1.00 H new ATOM 0 HD11 ILE A 89 13.672 0.798 -0.665 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.464 -0.488 -0.898 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.333 0.614 0.493 1.00 1.00 H new ATOM 1347 N THR A 90 13.837 -2.149 4.543 1.00 1.00 N ATOM 1348 CA THR A 90 13.397 -2.168 5.929 1.00 1.00 C ATOM 1349 C THR A 90 13.033 -0.757 6.375 1.00 1.00 C ATOM 1350 O THR A 90 13.253 0.209 5.645 1.00 1.00 O ATOM 1351 CB THR A 90 14.506 -2.725 6.827 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.404 -1.679 7.172 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.262 -3.826 6.084 1.00 1.00 C ATOM 0 H THR A 90 14.540 -1.441 4.333 1.00 1.00 H new ATOM 0 HA THR A 90 12.519 -2.809 6.012 1.00 1.00 H new ATOM 0 HB THR A 90 14.066 -3.140 7.734 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.581 -1.704 8.136 1.00 1.00 H new ATOM 0 HG21 THR A 90 16.051 -4.221 6.724 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.572 -4.628 5.821 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.703 -3.415 5.176 1.00 1.00 H new ATOM 1361 N GLU A 91 12.483 -0.645 7.576 1.00 1.00 N ATOM 1362 CA GLU A 91 12.097 0.656 8.111 1.00 1.00 C ATOM 1363 C GLU A 91 13.283 1.611 8.086 1.00 1.00 C ATOM 1364 O GLU A 91 13.119 2.826 7.978 1.00 1.00 O ATOM 1365 CB GLU A 91 11.596 0.500 9.549 1.00 1.00 C ATOM 1366 CG GLU A 91 11.106 1.853 10.070 1.00 1.00 C ATOM 1367 CD GLU A 91 10.247 1.652 11.313 1.00 1.00 C ATOM 1368 OE1 GLU A 91 9.049 1.483 11.159 1.00 1.00 O ATOM 1369 OE2 GLU A 91 10.799 1.665 12.399 1.00 1.00 O ATOM 0 H GLU A 91 12.294 -1.433 8.196 1.00 1.00 H new ATOM 0 HA GLU A 91 11.299 1.065 7.491 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.788 -0.230 9.586 1.00 1.00 H new ATOM 0 HB3 GLU A 91 12.396 0.122 10.185 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.957 2.491 10.305 1.00 1.00 H new ATOM 0 HG3 GLU A 91 10.530 2.362 9.298 1.00 1.00 H new ATOM 1376 N ALA A 92 14.477 1.047 8.200 1.00 1.00 N ATOM 1377 CA ALA A 92 15.700 1.843 8.207 1.00 1.00 C ATOM 1378 C ALA A 92 16.108 2.225 6.791 1.00 1.00 C ATOM 1379 O ALA A 92 16.534 3.350 6.542 1.00 1.00 O ATOM 1380 CB ALA A 92 16.832 1.056 8.870 1.00 1.00 C ATOM 0 H ALA A 92 14.627 0.042 8.289 1.00 1.00 H new ATOM 0 HA ALA A 92 15.509 2.755 8.772 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.741 1.657 8.871 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.555 0.815 9.896 1.00 1.00 H new ATOM 0 HB3 ALA A 92 17.007 0.134 8.316 1.00 1.00 H new ATOM 1386 N GLU A 93 15.980 1.282 5.867 1.00 1.00 N ATOM 1387 CA GLU A 93 16.342 1.540 4.480 1.00 1.00 C ATOM 1388 C GLU A 93 15.465 2.643 3.902 1.00 1.00 C ATOM 1389 O GLU A 93 15.952 3.534 3.205 1.00 1.00 O ATOM 1390 CB GLU A 93 16.173 0.271 3.647 1.00 1.00 C ATOM 1391 CG GLU A 93 16.954 -0.878 4.288 1.00 1.00 C ATOM 1392 CD GLU A 93 18.453 -0.630 4.162 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.852 -0.003 3.195 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.180 -1.077 5.033 1.00 1.00 O ATOM 0 H GLU A 93 15.632 0.341 6.050 1.00 1.00 H new ATOM 0 HA GLU A 93 17.385 1.856 4.449 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.117 0.010 3.576 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.528 0.442 2.631 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.681 -0.972 5.339 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.692 -1.819 3.805 1.00 1.00 H new ATOM 1401 N ILE A 94 14.169 2.582 4.196 1.00 1.00 N ATOM 1402 CA ILE A 94 13.240 3.586 3.695 1.00 1.00 C ATOM 1403 C ILE A 94 13.592 4.955 4.264 1.00 1.00 C ATOM 1404 O ILE A 94 13.664 5.943 3.536 1.00 1.00 O ATOM 1405 CB ILE A 94 11.810 3.222 4.106 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.237 2.197 3.125 1.00 1.00 C ATOM 1407 CG2 ILE A 94 10.934 4.476 4.097 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.287 1.257 3.868 1.00 1.00 C ATOM 0 H ILE A 94 13.743 1.856 4.772 1.00 1.00 H new ATOM 0 HA ILE A 94 13.312 3.617 2.608 1.00 1.00 H new ATOM 0 HB ILE A 94 11.825 2.797 5.110 1.00 1.00 H new ATOM 0 HG12 ILE A 94 10.707 2.705 2.320 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.044 1.627 2.665 1.00 1.00 H new ATOM 0 HG21 ILE A 94 9.918 4.212 4.390 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.336 5.206 4.800 1.00 1.00 H new ATOM 0 HG23 ILE A 94 10.923 4.905 3.095 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.878 0.526 3.170 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.831 0.739 4.658 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.473 1.834 4.307 1.00 1.00 H new ATOM 1420 N VAL A 95 13.820 4.992 5.569 1.00 1.00 N ATOM 1421 CA VAL A 95 14.180 6.230 6.248 1.00 1.00 C ATOM 1422 C VAL A 95 15.564 6.694 5.816 1.00 1.00 C ATOM 1423 O VAL A 95 15.807 7.888 5.635 1.00 1.00 O ATOM 1424 CB VAL A 95 14.160 6.020 7.764 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.052 7.061 8.444 1.00 1.00 C ATOM 1426 CG2 VAL A 95 12.728 6.171 8.277 1.00 1.00 C ATOM 0 H VAL A 95 13.762 4.178 6.180 1.00 1.00 H new ATOM 0 HA VAL A 95 13.452 6.995 5.978 1.00 1.00 H new ATOM 0 HB VAL A 95 14.532 5.021 7.993 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.034 6.907 9.523 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.074 6.958 8.080 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.684 8.061 8.214 1.00 1.00 H new ATOM 0 HG21 VAL A 95 12.711 6.022 9.357 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.361 7.170 8.043 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.090 5.429 7.798 1.00 1.00 H new ATOM 1436 N SER A 96 16.473 5.739 5.675 1.00 1.00 N ATOM 1437 CA SER A 96 17.847 6.048 5.289 1.00 1.00 C ATOM 1438 C SER A 96 17.897 6.604 3.875 1.00 1.00 C ATOM 1439 O SER A 96 18.567 7.603 3.613 1.00 1.00 O ATOM 1440 CB SER A 96 18.712 4.791 5.376 1.00 1.00 C ATOM 1441 OG SER A 96 18.838 4.401 6.738 1.00 1.00 O ATOM 0 H SER A 96 16.287 4.747 5.821 1.00 1.00 H new ATOM 0 HA SER A 96 18.233 6.802 5.976 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.263 3.985 4.795 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.696 4.982 4.948 1.00 1.00 H new ATOM 0 HG SER A 96 18.224 3.660 6.924 1.00 1.00 H new ATOM 1447 N ILE A 97 17.185 5.955 2.967 1.00 1.00 N ATOM 1448 CA ILE A 97 17.157 6.401 1.585 1.00 1.00 C ATOM 1449 C ILE A 97 16.529 7.789 1.500 1.00 1.00 C ATOM 1450 O ILE A 97 17.069 8.689 0.857 1.00 1.00 O ATOM 1451 CB ILE A 97 16.359 5.412 0.737 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.137 4.099 0.618 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.137 5.996 -0.657 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.176 2.967 0.249 1.00 1.00 C ATOM 0 H ILE A 97 16.624 5.125 3.160 1.00 1.00 H new ATOM 0 HA ILE A 97 18.177 6.451 1.205 1.00 1.00 H new ATOM 0 HB ILE A 97 15.395 5.225 1.211 1.00 1.00 H new ATOM 0 HG12 ILE A 97 17.914 4.192 -0.141 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.637 3.873 1.560 1.00 1.00 H new ATOM 0 HG21 ILE A 97 15.568 5.290 -1.261 1.00 1.00 H new ATOM 0 HG22 ILE A 97 15.584 6.932 -0.576 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.101 6.184 -1.130 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.730 2.032 0.164 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.415 2.869 1.023 1.00 1.00 H new ATOM 0 HD13 ILE A 97 15.697 3.192 -0.704 1.00 1.00 H new ATOM 1466 N LEU A 98 15.392 7.957 2.171 1.00 1.00 N ATOM 1467 CA LEU A 98 14.694 9.238 2.180 1.00 1.00 C ATOM 1468 C LEU A 98 15.638 10.342 2.643 1.00 1.00 C ATOM 1469 O LEU A 98 15.697 11.416 2.043 1.00 1.00 O ATOM 1470 CB LEU A 98 13.461 9.130 3.104 1.00 1.00 C ATOM 1471 CG LEU A 98 13.275 10.385 3.978 1.00 1.00 C ATOM 1472 CD1 LEU A 98 13.138 11.631 3.099 1.00 1.00 C ATOM 1473 CD2 LEU A 98 11.998 10.224 4.810 1.00 1.00 C ATOM 0 H LEU A 98 14.936 7.224 2.714 1.00 1.00 H new ATOM 0 HA LEU A 98 14.358 9.489 1.174 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.568 8.976 2.498 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.566 8.255 3.746 1.00 1.00 H new ATOM 0 HG LEU A 98 14.144 10.500 4.626 1.00 1.00 H new ATOM 0 HD11 LEU A 98 13.007 12.509 3.731 1.00 1.00 H new ATOM 0 HD12 LEU A 98 14.037 11.750 2.494 1.00 1.00 H new ATOM 0 HD13 LEU A 98 12.272 11.522 2.446 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.856 11.107 5.433 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.142 10.108 4.145 1.00 1.00 H new ATOM 0 HD23 LEU A 98 12.086 9.342 5.445 1.00 1.00 H new ATOM 1485 N ASN A 99 16.373 10.065 3.710 1.00 1.00 N ATOM 1486 CA ASN A 99 17.317 11.034 4.251 1.00 1.00 C ATOM 1487 C ASN A 99 18.327 11.453 3.185 1.00 1.00 C ATOM 1488 O ASN A 99 18.789 12.596 3.169 1.00 1.00 O ATOM 1489 CB ASN A 99 18.049 10.432 5.452 1.00 1.00 C ATOM 1490 CG ASN A 99 17.457 10.973 6.749 1.00 1.00 C ATOM 1491 OD1 ASN A 99 17.215 12.174 6.869 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.196 10.151 7.729 1.00 1.00 N ATOM 0 H ASN A 99 16.335 9.181 4.217 1.00 1.00 H new ATOM 0 HA ASN A 99 16.763 11.917 4.571 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.967 9.345 5.431 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.111 10.673 5.399 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.791 10.504 8.596 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.397 9.156 7.628 1.00 1.00 H new ATOM 1499 N GLY A 100 18.665 10.523 2.297 1.00 1.00 N ATOM 1500 CA GLY A 100 19.622 10.807 1.233 1.00 1.00 C ATOM 1501 C GLY A 100 18.985 11.652 0.132 1.00 1.00 C ATOM 1502 O GLY A 100 19.605 12.580 -0.389 1.00 1.00 O ATOM 0 H GLY A 100 18.294 9.573 2.292 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.484 11.331 1.645 1.00 1.00 H new ATOM 0 HA3 GLY A 100 19.990 9.872 0.811 1.00 1.00 H new ATOM 1506 N ILE A 101 17.747 11.323 -0.218 1.00 1.00 N ATOM 1507 CA ILE A 101 17.033 12.054 -1.260 1.00 1.00 C ATOM 1508 C ILE A 101 16.702 13.469 -0.792 1.00 1.00 C ATOM 1509 O ILE A 101 16.727 14.414 -1.582 1.00 1.00 O ATOM 1510 CB ILE A 101 15.743 11.314 -1.621 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.088 10.059 -2.434 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.838 12.226 -2.454 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.302 8.860 -1.898 1.00 1.00 C ATOM 0 H ILE A 101 17.218 10.559 0.202 1.00 1.00 H new ATOM 0 HA ILE A 101 17.673 12.119 -2.140 1.00 1.00 H new ATOM 0 HB ILE A 101 15.223 11.029 -0.707 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.851 10.220 -3.486 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.158 9.859 -2.375 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.921 11.695 -2.708 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.592 13.119 -1.879 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.356 12.515 -3.369 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.551 7.972 -2.479 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.561 8.693 -0.852 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.234 9.059 -1.980 1.00 1.00 H new ATOM 1525 N ALA A 102 16.394 13.608 0.492 1.00 1.00 N ATOM 1526 CA ALA A 102 16.061 14.913 1.053 1.00 1.00 C ATOM 1527 C ALA A 102 17.278 15.834 1.034 1.00 1.00 C ATOM 1528 O ALA A 102 17.142 17.057 1.039 1.00 1.00 O ATOM 1529 CB ALA A 102 15.564 14.751 2.490 1.00 1.00 C ATOM 0 H ALA A 102 16.368 12.839 1.161 1.00 1.00 H new ATOM 0 HA ALA A 102 15.275 15.359 0.444 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.317 15.729 2.902 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.676 14.119 2.499 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.344 14.289 3.095 1.00 1.00 H new ATOM 1535 N LYS A 103 18.465 15.237 1.017 1.00 1.00 N ATOM 1536 CA LYS A 103 19.699 16.014 1.002 1.00 1.00 C ATOM 1537 C LYS A 103 19.924 16.651 -0.366 1.00 1.00 C ATOM 1538 O LYS A 103 20.267 17.830 -0.463 1.00 1.00 O ATOM 1539 CB LYS A 103 20.884 15.108 1.346 1.00 1.00 C ATOM 1540 CG LYS A 103 22.150 15.954 1.501 1.00 1.00 C ATOM 1541 CD LYS A 103 23.220 15.454 0.528 1.00 1.00 C ATOM 1542 CE LYS A 103 24.531 16.199 0.783 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.420 17.594 0.273 1.00 1.00 N ATOM 0 H LYS A 103 18.599 14.226 1.013 1.00 1.00 H new ATOM 0 HA LYS A 103 19.614 16.808 1.744 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.683 14.564 2.269 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.025 14.364 0.562 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.926 17.002 1.304 1.00 1.00 H new ATOM 0 HG3 LYS A 103 22.518 15.893 2.525 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.369 14.382 0.654 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.894 15.612 -0.500 1.00 1.00 H new ATOM 0 HE2 LYS A 103 24.755 16.208 1.850 1.00 1.00 H new ATOM 0 HE3 LYS A 103 25.355 15.685 0.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.350 18.057 0.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.094 17.578 -0.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 23.739 18.123 0.854 1.00 1.00 H new ATOM 1557 N GLN A 104 19.731 15.866 -1.419 1.00 1.00 N ATOM 1558 CA GLN A 104 19.920 16.366 -2.778 1.00 1.00 C ATOM 1559 C GLN A 104 18.696 17.149 -3.242 1.00 1.00 C ATOM 1560 O GLN A 104 18.817 18.137 -3.966 1.00 1.00 O ATOM 1561 CB GLN A 104 20.182 15.203 -3.740 1.00 1.00 C ATOM 1562 CG GLN A 104 19.187 14.072 -3.468 1.00 1.00 C ATOM 1563 CD GLN A 104 19.289 13.013 -4.559 1.00 1.00 C ATOM 1564 OE1 GLN A 104 19.617 11.860 -4.275 1.00 1.00 O ATOM 1565 NE2 GLN A 104 19.023 13.332 -5.796 1.00 1.00 N ATOM 0 H GLN A 104 19.446 14.888 -1.361 1.00 1.00 H new ATOM 0 HA GLN A 104 20.782 17.033 -2.776 1.00 1.00 H new ATOM 0 HB2 GLN A 104 20.087 15.543 -4.771 1.00 1.00 H new ATOM 0 HB3 GLN A 104 21.202 14.840 -3.617 1.00 1.00 H new ATOM 0 HG2 GLN A 104 19.390 13.624 -2.495 1.00 1.00 H new ATOM 0 HG3 GLN A 104 18.173 14.470 -3.430 1.00 1.00 H new ATOM 0 HE21 GLN A 104 18.752 14.287 -6.029 1.00 1.00 H new ATOM 0 HE22 GLN A 104 19.086 12.626 -6.530 1.00 1.00 H new