USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot -154:sc= 0.961 USER MOD Set 1.2: A 69 ASN :FLIP amide:sc= 0.793 F(o=1,f=1.8) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= 0.409 USER MOD Set 2.3: A 63 LYS NZ :NH3+ -112:sc= 0.453 (180deg=0) USER MOD Set 3.1: A 18 CYS SG : rot 25:sc= 0.436 USER MOD Set 3.2: A 55 HIS : no HD1:sc= 0.0344 K(o=1.8,f=1.3) USER MOD Set 3.3: A 93 CYS SG : rot 127:sc= 0.201 USER MOD Set 3.4: A 95 CYS SG : rot -134:sc= 1.15 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.24) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -131:sc= 0.474 USER MOD Single : A 57 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -168:sc= 0 (180deg=-0.126) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1.09) USER MOD Single : A 76 GLN : amide:sc= -0.109 K(o=-0.11,f=-1) USER MOD Single : A 80 LYS NZ :NH3+ -172:sc=-0.00291 (180deg=-0.0865) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0837) USER MOD Single : A 86 SER OG : rot -46:sc= 0.974 USER MOD Single : A 87 ASN : amide:sc= -0.0507 K(o=-0.051,f=-3.3!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0.048) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.574 -5.079 0.888 1.00 3.02 N ATOM 60 CA ILE A 5 -5.642 -5.026 1.875 1.00 70.34 C ATOM 61 C ILE A 5 -6.613 -6.191 1.675 1.00 31.44 C ATOM 62 O ILE A 5 -7.248 -6.663 2.619 1.00 53.51 O ATOM 63 CB ILE A 5 -6.382 -3.664 1.777 1.00 1.24 C ATOM 64 CG1 ILE A 5 -6.620 -3.076 3.167 1.00 41.23 C ATOM 65 CG2 ILE A 5 -7.694 -3.779 1.007 1.00 44.15 C ATOM 66 CD1 ILE A 5 -7.477 -3.931 4.069 1.00 35.12 C ATOM 0 HA ILE A 5 -5.211 -5.116 2.872 1.00 70.34 H new ATOM 0 HB ILE A 5 -5.738 -2.986 1.218 1.00 1.24 H new ATOM 0 HG12 ILE A 5 -5.656 -2.914 3.649 1.00 41.23 H new ATOM 0 HG13 ILE A 5 -7.091 -2.099 3.059 1.00 41.23 H new ATOM 0 HG21 ILE A 5 -8.177 -2.803 0.964 1.00 44.15 H new ATOM 0 HG22 ILE A 5 -7.492 -4.129 -0.005 1.00 44.15 H new ATOM 0 HG23 ILE A 5 -8.351 -4.487 1.512 1.00 44.15 H new ATOM 0 HD11 ILE A 5 -7.594 -3.438 5.034 1.00 35.12 H new ATOM 0 HD12 ILE A 5 -8.457 -4.073 3.613 1.00 35.12 H new ATOM 0 HD13 ILE A 5 -7.000 -4.900 4.212 1.00 35.12 H new ATOM 78 N GLU A 6 -6.686 -6.664 0.440 1.00 53.45 N ATOM 79 CA GLU A 6 -7.574 -7.753 0.079 1.00 54.45 C ATOM 80 C GLU A 6 -7.181 -9.018 0.817 1.00 25.05 C ATOM 81 O GLU A 6 -8.035 -9.774 1.265 1.00 21.11 O ATOM 82 CB GLU A 6 -7.556 -7.996 -1.433 1.00 51.24 C ATOM 83 CG GLU A 6 -7.944 -6.776 -2.253 1.00 45.23 C ATOM 84 CD GLU A 6 -6.775 -5.840 -2.518 1.00 50.23 C ATOM 85 OE1 GLU A 6 -6.425 -5.034 -1.628 1.00 62.43 O ATOM 86 OE2 GLU A 6 -6.201 -5.904 -3.621 1.00 2.42 O ATOM 0 H GLU A 6 -6.132 -6.303 -0.337 1.00 53.45 H new ATOM 0 HA GLU A 6 -8.588 -7.475 0.368 1.00 54.45 H new ATOM 0 HB2 GLU A 6 -6.558 -8.319 -1.728 1.00 51.24 H new ATOM 0 HB3 GLU A 6 -8.238 -8.813 -1.669 1.00 51.24 H new ATOM 0 HG2 GLU A 6 -8.363 -7.103 -3.205 1.00 45.23 H new ATOM 0 HG3 GLU A 6 -8.729 -6.229 -1.731 1.00 45.23 H new ATOM 93 N HIS A 7 -5.886 -9.236 0.963 1.00 53.14 N ATOM 94 CA HIS A 7 -5.407 -10.381 1.716 1.00 45.32 C ATOM 95 C HIS A 7 -5.806 -10.237 3.175 1.00 32.20 C ATOM 96 O HIS A 7 -6.275 -11.187 3.793 1.00 44.32 O ATOM 97 CB HIS A 7 -3.888 -10.528 1.594 1.00 44.00 C ATOM 98 CG HIS A 7 -3.423 -10.883 0.214 1.00 20.21 C ATOM 99 ND1 HIS A 7 -3.197 -12.173 -0.214 1.00 30.40 N ATOM 100 CD2 HIS A 7 -3.133 -10.084 -0.841 1.00 53.33 C ATOM 101 CE1 HIS A 7 -2.784 -12.117 -1.486 1.00 40.22 C ATOM 102 NE2 HIS A 7 -2.727 -10.871 -1.915 1.00 61.12 N ATOM 0 H HIS A 7 -5.154 -8.642 0.574 1.00 53.14 H new ATOM 0 HA HIS A 7 -5.863 -11.280 1.303 1.00 45.32 H new ATOM 0 HB2 HIS A 7 -3.416 -9.593 1.897 1.00 44.00 H new ATOM 0 HB3 HIS A 7 -3.550 -11.296 2.290 1.00 44.00 H new ATOM 0 HD2 HIS A 7 -3.205 -9.006 -0.848 1.00 53.33 H new ATOM 0 HE1 HIS A 7 -2.530 -12.980 -2.084 1.00 40.22 H new ATOM 0 HE2 HIS A 7 -2.444 -10.551 -2.841 1.00 61.12 H new ATOM 110 N LYS A 8 -5.660 -9.023 3.697 1.00 54.22 N ATOM 111 CA LYS A 8 -5.946 -8.743 5.104 1.00 4.43 C ATOM 112 C LYS A 8 -7.401 -9.025 5.437 1.00 21.40 C ATOM 113 O LYS A 8 -7.705 -9.700 6.423 1.00 73.32 O ATOM 114 CB LYS A 8 -5.655 -7.279 5.435 1.00 24.22 C ATOM 115 CG LYS A 8 -4.363 -6.756 4.845 1.00 0.32 C ATOM 116 CD LYS A 8 -3.179 -7.598 5.265 1.00 65.22 C ATOM 117 CE LYS A 8 -1.891 -7.062 4.677 1.00 63.42 C ATOM 118 NZ LYS A 8 -0.711 -7.802 5.190 1.00 0.22 N ATOM 0 H LYS A 8 -5.344 -8.212 3.165 1.00 54.22 H new ATOM 0 HA LYS A 8 -5.303 -9.395 5.695 1.00 4.43 H new ATOM 0 HB2 LYS A 8 -6.481 -6.665 5.075 1.00 24.22 H new ATOM 0 HB3 LYS A 8 -5.620 -7.163 6.518 1.00 24.22 H new ATOM 0 HG2 LYS A 8 -4.436 -6.747 3.758 1.00 0.32 H new ATOM 0 HG3 LYS A 8 -4.208 -5.725 5.163 1.00 0.32 H new ATOM 0 HD2 LYS A 8 -3.107 -7.613 6.353 1.00 65.22 H new ATOM 0 HD3 LYS A 8 -3.329 -8.628 4.942 1.00 65.22 H new ATOM 0 HE2 LYS A 8 -1.926 -7.139 3.590 1.00 63.42 H new ATOM 0 HE3 LYS A 8 -1.792 -6.004 4.919 1.00 63.42 H new ATOM 0 HZ1 LYS A 8 0.155 -7.410 4.768 1.00 0.22 H new ATOM 0 HZ2 LYS A 8 -0.665 -7.708 6.225 1.00 0.22 H new ATOM 0 HZ3 LYS A 8 -0.795 -8.807 4.937 1.00 0.22 H new ATOM 132 N VAL A 9 -8.299 -8.494 4.618 1.00 74.22 N ATOM 133 CA VAL A 9 -9.724 -8.642 4.858 1.00 64.01 C ATOM 134 C VAL A 9 -10.150 -10.103 4.754 1.00 30.14 C ATOM 135 O VAL A 9 -11.024 -10.557 5.492 1.00 21.15 O ATOM 136 CB VAL A 9 -10.552 -7.767 3.897 1.00 40.41 C ATOM 137 CG1 VAL A 9 -10.326 -8.153 2.448 1.00 65.13 C ATOM 138 CG2 VAL A 9 -12.030 -7.831 4.238 1.00 12.54 C ATOM 0 H VAL A 9 -8.064 -7.958 3.783 1.00 74.22 H new ATOM 0 HA VAL A 9 -9.919 -8.300 5.875 1.00 64.01 H new ATOM 0 HB VAL A 9 -10.211 -6.740 4.024 1.00 40.41 H new ATOM 0 HG11 VAL A 9 -10.928 -7.513 1.803 1.00 65.13 H new ATOM 0 HG12 VAL A 9 -9.272 -8.031 2.199 1.00 65.13 H new ATOM 0 HG13 VAL A 9 -10.616 -9.193 2.299 1.00 65.13 H new ATOM 0 HG21 VAL A 9 -12.591 -7.205 3.544 1.00 12.54 H new ATOM 0 HG22 VAL A 9 -12.377 -8.861 4.159 1.00 12.54 H new ATOM 0 HG23 VAL A 9 -12.184 -7.473 5.256 1.00 12.54 H new ATOM 148 N TYR A 10 -9.510 -10.849 3.864 1.00 3.13 N ATOM 149 CA TYR A 10 -9.795 -12.267 3.742 1.00 71.13 C ATOM 150 C TYR A 10 -9.327 -12.988 4.996 1.00 61.52 C ATOM 151 O TYR A 10 -9.999 -13.887 5.489 1.00 44.13 O ATOM 152 CB TYR A 10 -9.100 -12.885 2.524 1.00 72.42 C ATOM 153 CG TYR A 10 -9.531 -12.329 1.179 1.00 51.15 C ATOM 154 CD1 TYR A 10 -10.686 -11.567 1.041 1.00 4.10 C ATOM 155 CD2 TYR A 10 -8.777 -12.581 0.039 1.00 24.41 C ATOM 156 CE1 TYR A 10 -11.072 -11.071 -0.189 1.00 2.21 C ATOM 157 CE2 TYR A 10 -9.159 -12.089 -1.193 1.00 0.04 C ATOM 158 CZ TYR A 10 -10.306 -11.337 -1.302 1.00 50.45 C ATOM 159 OH TYR A 10 -10.690 -10.855 -2.531 1.00 60.10 O ATOM 0 H TYR A 10 -8.798 -10.498 3.223 1.00 3.13 H new ATOM 0 HA TYR A 10 -10.872 -12.379 3.614 1.00 71.13 H new ATOM 0 HB2 TYR A 10 -8.024 -12.743 2.629 1.00 72.42 H new ATOM 0 HB3 TYR A 10 -9.282 -13.960 2.529 1.00 72.42 H new ATOM 0 HD1 TYR A 10 -11.292 -11.359 1.911 1.00 4.10 H new ATOM 0 HD2 TYR A 10 -7.877 -13.172 0.118 1.00 24.41 H new ATOM 0 HE1 TYR A 10 -11.970 -10.478 -0.277 1.00 2.21 H new ATOM 0 HE2 TYR A 10 -8.560 -12.294 -2.068 1.00 0.04 H new ATOM 0 HH TYR A 10 -10.039 -11.132 -3.209 1.00 60.10 H new ATOM 169 N GLN A 11 -8.188 -12.540 5.524 1.00 64.42 N ATOM 170 CA GLN A 11 -7.520 -13.214 6.639 1.00 74.03 C ATOM 171 C GLN A 11 -8.432 -13.361 7.847 1.00 15.15 C ATOM 172 O GLN A 11 -8.612 -14.457 8.375 1.00 42.55 O ATOM 173 CB GLN A 11 -6.250 -12.467 7.060 1.00 72.20 C ATOM 174 CG GLN A 11 -5.104 -12.573 6.067 1.00 54.30 C ATOM 175 CD GLN A 11 -4.743 -14.007 5.728 1.00 64.22 C ATOM 176 OE1 GLN A 11 -3.919 -14.627 6.396 1.00 24.54 O ATOM 177 NE2 GLN A 11 -5.350 -14.537 4.678 1.00 45.32 N ATOM 0 H GLN A 11 -7.704 -11.705 5.194 1.00 64.42 H new ATOM 0 HA GLN A 11 -7.255 -14.208 6.280 1.00 74.03 H new ATOM 0 HB2 GLN A 11 -6.493 -11.414 7.206 1.00 72.20 H new ATOM 0 HB3 GLN A 11 -5.918 -12.854 8.023 1.00 72.20 H new ATOM 0 HG2 GLN A 11 -5.374 -12.046 5.152 1.00 54.30 H new ATOM 0 HG3 GLN A 11 -4.228 -12.071 6.477 1.00 54.30 H new ATOM 0 HE21 GLN A 11 -6.028 -13.988 4.150 1.00 45.32 H new ATOM 0 HE22 GLN A 11 -5.139 -15.495 4.397 1.00 45.32 H new ATOM 186 N LEU A 12 -9.013 -12.256 8.271 1.00 3.20 N ATOM 187 CA LEU A 12 -9.796 -12.239 9.494 1.00 31.03 C ATOM 188 C LEU A 12 -11.243 -12.633 9.245 1.00 73.23 C ATOM 189 O LEU A 12 -11.830 -13.356 10.037 1.00 74.14 O ATOM 190 CB LEU A 12 -9.703 -10.873 10.183 1.00 55.33 C ATOM 191 CG LEU A 12 -9.329 -9.683 9.288 1.00 3.51 C ATOM 192 CD1 LEU A 12 -10.509 -9.232 8.443 1.00 53.54 C ATOM 193 CD2 LEU A 12 -8.812 -8.532 10.136 1.00 14.34 C ATOM 0 H LEU A 12 -8.959 -11.359 7.789 1.00 3.20 H new ATOM 0 HA LEU A 12 -9.372 -12.986 10.164 1.00 31.03 H new ATOM 0 HB2 LEU A 12 -10.664 -10.660 10.651 1.00 55.33 H new ATOM 0 HB3 LEU A 12 -8.967 -10.943 10.984 1.00 55.33 H new ATOM 0 HG LEU A 12 -8.540 -10.007 8.609 1.00 3.51 H new ATOM 0 HD11 LEU A 12 -10.210 -8.388 7.821 1.00 53.54 H new ATOM 0 HD12 LEU A 12 -10.836 -10.054 7.806 1.00 53.54 H new ATOM 0 HD13 LEU A 12 -11.329 -8.930 9.095 1.00 53.54 H new ATOM 0 HD21 LEU A 12 -8.550 -7.694 9.491 1.00 14.34 H new ATOM 0 HD22 LEU A 12 -9.586 -8.221 10.838 1.00 14.34 H new ATOM 0 HD23 LEU A 12 -7.929 -8.855 10.688 1.00 14.34 H new ATOM 205 N LEU A 13 -11.808 -12.182 8.141 1.00 13.31 N ATOM 206 CA LEU A 13 -13.210 -12.457 7.848 1.00 33.34 C ATOM 207 C LEU A 13 -13.481 -13.941 7.671 1.00 13.32 C ATOM 208 O LEU A 13 -14.497 -14.450 8.150 1.00 41.33 O ATOM 209 CB LEU A 13 -13.672 -11.700 6.616 1.00 43.02 C ATOM 210 CG LEU A 13 -13.868 -10.206 6.821 1.00 33.11 C ATOM 211 CD1 LEU A 13 -14.584 -9.614 5.626 1.00 22.01 C ATOM 212 CD2 LEU A 13 -14.644 -9.953 8.099 1.00 35.24 C ATOM 0 H LEU A 13 -11.326 -11.627 7.434 1.00 13.31 H new ATOM 0 HA LEU A 13 -13.778 -12.113 8.712 1.00 33.34 H new ATOM 0 HB2 LEU A 13 -12.943 -11.851 5.820 1.00 43.02 H new ATOM 0 HB3 LEU A 13 -14.612 -12.132 6.273 1.00 43.02 H new ATOM 0 HG LEU A 13 -12.895 -9.723 6.914 1.00 33.11 H new ATOM 0 HD11 LEU A 13 -14.722 -8.544 5.778 1.00 22.01 H new ATOM 0 HD12 LEU A 13 -13.990 -9.779 4.727 1.00 22.01 H new ATOM 0 HD13 LEU A 13 -15.557 -10.092 5.511 1.00 22.01 H new ATOM 0 HD21 LEU A 13 -14.779 -8.880 8.236 1.00 35.24 H new ATOM 0 HD22 LEU A 13 -15.619 -10.436 8.034 1.00 35.24 H new ATOM 0 HD23 LEU A 13 -14.093 -10.361 8.946 1.00 35.24 H new ATOM 224 N LYS A 14 -12.593 -14.629 6.973 1.00 62.15 N ATOM 225 CA LYS A 14 -12.722 -16.075 6.812 1.00 72.23 C ATOM 226 C LYS A 14 -12.621 -16.765 8.174 1.00 3.11 C ATOM 227 O LYS A 14 -13.269 -17.783 8.418 1.00 33.03 O ATOM 228 CB LYS A 14 -11.658 -16.626 5.852 1.00 2.53 C ATOM 229 CG LYS A 14 -10.256 -16.663 6.436 1.00 33.35 C ATOM 230 CD LYS A 14 -9.277 -17.364 5.512 1.00 12.10 C ATOM 231 CE LYS A 14 -7.880 -17.388 6.105 1.00 73.10 C ATOM 232 NZ LYS A 14 -6.923 -18.137 5.250 1.00 1.53 N ATOM 0 H LYS A 14 -11.781 -14.219 6.511 1.00 62.15 H new ATOM 0 HA LYS A 14 -13.700 -16.283 6.379 1.00 72.23 H new ATOM 0 HB2 LYS A 14 -11.942 -17.635 5.552 1.00 2.53 H new ATOM 0 HB3 LYS A 14 -11.648 -16.016 4.949 1.00 2.53 H new ATOM 0 HG2 LYS A 14 -9.914 -15.645 6.623 1.00 33.35 H new ATOM 0 HG3 LYS A 14 -10.277 -17.174 7.398 1.00 33.35 H new ATOM 0 HD2 LYS A 14 -9.614 -18.384 5.328 1.00 12.10 H new ATOM 0 HD3 LYS A 14 -9.256 -16.856 4.548 1.00 12.10 H new ATOM 0 HE2 LYS A 14 -7.525 -16.366 6.237 1.00 73.10 H new ATOM 0 HE3 LYS A 14 -7.914 -17.843 7.095 1.00 73.10 H new ATOM 0 HZ1 LYS A 14 -5.982 -18.128 5.692 1.00 1.53 H new ATOM 0 HZ2 LYS A 14 -7.247 -19.120 5.145 1.00 1.53 H new ATOM 0 HZ3 LYS A 14 -6.869 -17.688 4.313 1.00 1.53 H new ATOM 246 N ASP A 15 -11.830 -16.172 9.066 1.00 71.42 N ATOM 247 CA ASP A 15 -11.637 -16.701 10.414 1.00 53.23 C ATOM 248 C ASP A 15 -12.898 -16.524 11.245 1.00 15.21 C ATOM 249 O ASP A 15 -13.264 -17.390 12.043 1.00 52.43 O ATOM 250 CB ASP A 15 -10.477 -15.979 11.097 1.00 54.35 C ATOM 251 CG ASP A 15 -10.219 -16.490 12.499 1.00 64.12 C ATOM 252 OD1 ASP A 15 -9.723 -17.628 12.642 1.00 63.31 O ATOM 253 OD2 ASP A 15 -10.503 -15.755 13.465 1.00 55.21 O ATOM 0 H ASP A 15 -11.308 -15.317 8.876 1.00 71.42 H new ATOM 0 HA ASP A 15 -11.411 -17.764 10.335 1.00 53.23 H new ATOM 0 HB2 ASP A 15 -9.575 -16.101 10.498 1.00 54.35 H new ATOM 0 HB3 ASP A 15 -10.691 -14.911 11.137 1.00 54.35 H new ATOM 258 N GLN A 16 -13.560 -15.392 11.044 1.00 23.40 N ATOM 259 CA GLN A 16 -14.809 -15.084 11.745 1.00 55.21 C ATOM 260 C GLN A 16 -15.936 -15.989 11.278 1.00 2.35 C ATOM 261 O GLN A 16 -17.029 -15.982 11.843 1.00 13.00 O ATOM 262 CB GLN A 16 -15.227 -13.632 11.516 1.00 72.05 C ATOM 263 CG GLN A 16 -14.103 -12.647 11.647 1.00 33.32 C ATOM 264 CD GLN A 16 -14.508 -11.416 12.417 1.00 44.10 C ATOM 265 OE1 GLN A 16 -15.311 -11.486 13.344 1.00 53.53 O ATOM 266 NE2 GLN A 16 -13.990 -10.283 12.006 1.00 42.43 N ATOM 0 H GLN A 16 -13.254 -14.665 10.398 1.00 23.40 H new ATOM 0 HA GLN A 16 -14.624 -15.247 12.807 1.00 55.21 H new ATOM 0 HB2 GLN A 16 -15.661 -13.542 10.520 1.00 72.05 H new ATOM 0 HB3 GLN A 16 -16.009 -13.373 12.230 1.00 72.05 H new ATOM 0 HG2 GLN A 16 -13.261 -13.125 12.147 1.00 33.32 H new ATOM 0 HG3 GLN A 16 -13.761 -12.356 10.654 1.00 33.32 H new ATOM 0 HE21 GLN A 16 -13.327 -10.277 11.231 1.00 42.43 H new ATOM 0 HE22 GLN A 16 -14.251 -9.408 12.461 1.00 42.43 H new ATOM 275 N GLY A 17 -15.673 -16.740 10.228 1.00 65.44 N ATOM 276 CA GLY A 17 -16.674 -17.617 9.686 1.00 74.12 C ATOM 277 C GLY A 17 -17.441 -16.955 8.571 1.00 4.02 C ATOM 278 O GLY A 17 -18.663 -17.094 8.470 1.00 43.31 O ATOM 0 H GLY A 17 -14.778 -16.757 9.740 1.00 65.44 H new ATOM 0 HA2 GLY A 17 -16.201 -18.526 9.314 1.00 74.12 H new ATOM 0 HA3 GLY A 17 -17.363 -17.917 10.476 1.00 74.12 H new ATOM 282 N CYS A 18 -16.737 -16.185 7.754 1.00 72.51 N ATOM 283 CA CYS A 18 -17.357 -15.574 6.595 1.00 10.14 C ATOM 284 C CYS A 18 -16.680 -16.020 5.307 1.00 70.10 C ATOM 285 O CYS A 18 -15.465 -16.210 5.270 1.00 43.55 O ATOM 286 CB CYS A 18 -17.281 -14.053 6.696 1.00 34.43 C ATOM 287 SG CYS A 18 -18.614 -13.201 5.802 1.00 61.31 S ATOM 0 H CYS A 18 -15.747 -15.972 7.873 1.00 72.51 H new ATOM 0 HA CYS A 18 -18.399 -15.893 6.573 1.00 10.14 H new ATOM 0 HB2 CYS A 18 -17.316 -13.764 7.746 1.00 34.43 H new ATOM 0 HB3 CYS A 18 -16.320 -13.718 6.305 1.00 34.43 H new ATOM 0 HG CYS A 18 -19.641 -13.991 5.699 1.00 61.31 H new ATOM 292 N GLU A 19 -17.476 -16.207 4.264 1.00 23.52 N ATOM 293 CA GLU A 19 -16.942 -16.398 2.916 1.00 24.13 C ATOM 294 C GLU A 19 -17.575 -15.378 1.977 1.00 71.51 C ATOM 295 O GLU A 19 -17.328 -15.373 0.773 1.00 1.44 O ATOM 296 CB GLU A 19 -17.229 -17.813 2.399 1.00 5.04 C ATOM 297 CG GLU A 19 -18.679 -18.041 1.988 1.00 53.40 C ATOM 298 CD GLU A 19 -19.638 -17.959 3.151 1.00 31.33 C ATOM 299 OE1 GLU A 19 -20.066 -16.839 3.488 1.00 73.32 O ATOM 300 OE2 GLU A 19 -19.963 -19.010 3.742 1.00 54.24 O ATOM 0 H GLU A 19 -18.494 -16.231 4.321 1.00 23.52 H new ATOM 0 HA GLU A 19 -15.861 -16.261 2.951 1.00 24.13 H new ATOM 0 HB2 GLU A 19 -16.584 -18.014 1.544 1.00 5.04 H new ATOM 0 HB3 GLU A 19 -16.964 -18.532 3.174 1.00 5.04 H new ATOM 0 HG2 GLU A 19 -18.960 -17.301 1.239 1.00 53.40 H new ATOM 0 HG3 GLU A 19 -18.769 -19.020 1.518 1.00 53.40 H new ATOM 307 N ASP A 20 -18.391 -14.512 2.557 1.00 63.52 N ATOM 308 CA ASP A 20 -19.218 -13.596 1.793 1.00 1.35 C ATOM 309 C ASP A 20 -18.622 -12.196 1.810 1.00 42.31 C ATOM 310 O ASP A 20 -18.968 -11.370 2.662 1.00 74.14 O ATOM 311 CB ASP A 20 -20.632 -13.564 2.376 1.00 2.13 C ATOM 312 CG ASP A 20 -21.637 -12.911 1.453 1.00 33.25 C ATOM 313 OD1 ASP A 20 -21.526 -11.696 1.201 1.00 34.14 O ATOM 314 OD2 ASP A 20 -22.561 -13.617 0.998 1.00 52.31 O ATOM 0 H ASP A 20 -18.497 -14.426 3.568 1.00 63.52 H new ATOM 0 HA ASP A 20 -19.260 -13.944 0.761 1.00 1.35 H new ATOM 0 HB2 ASP A 20 -20.953 -14.583 2.592 1.00 2.13 H new ATOM 0 HB3 ASP A 20 -20.616 -13.027 3.325 1.00 2.13 H new ATOM 319 N PHE A 21 -17.687 -11.959 0.905 1.00 61.32 N ATOM 320 CA PHE A 21 -17.029 -10.662 0.779 1.00 30.01 C ATOM 321 C PHE A 21 -16.125 -10.629 -0.448 1.00 0.11 C ATOM 322 O PHE A 21 -15.577 -11.653 -0.859 1.00 14.03 O ATOM 323 CB PHE A 21 -16.221 -10.323 2.046 1.00 20.12 C ATOM 324 CG PHE A 21 -15.366 -11.447 2.580 1.00 44.33 C ATOM 325 CD1 PHE A 21 -14.072 -11.642 2.124 1.00 45.52 C ATOM 326 CD2 PHE A 21 -15.855 -12.297 3.561 1.00 71.33 C ATOM 327 CE1 PHE A 21 -13.288 -12.660 2.636 1.00 4.41 C ATOM 328 CE2 PHE A 21 -15.078 -13.316 4.070 1.00 21.20 C ATOM 329 CZ PHE A 21 -13.791 -13.498 3.611 1.00 44.21 C ATOM 0 H PHE A 21 -17.361 -12.657 0.236 1.00 61.32 H new ATOM 0 HA PHE A 21 -17.807 -9.908 0.658 1.00 30.01 H new ATOM 0 HB2 PHE A 21 -15.578 -9.469 1.831 1.00 20.12 H new ATOM 0 HB3 PHE A 21 -16.914 -10.011 2.828 1.00 20.12 H new ATOM 0 HD1 PHE A 21 -13.671 -10.992 1.360 1.00 45.52 H new ATOM 0 HD2 PHE A 21 -16.860 -12.159 3.932 1.00 71.33 H new ATOM 0 HE1 PHE A 21 -12.281 -12.800 2.272 1.00 4.41 H new ATOM 0 HE2 PHE A 21 -15.478 -13.972 4.829 1.00 21.20 H new ATOM 0 HZ PHE A 21 -13.179 -14.292 4.012 1.00 44.21 H new ATOM 339 N GLY A 22 -15.979 -9.450 -1.029 1.00 73.12 N ATOM 340 CA GLY A 22 -15.157 -9.288 -2.209 1.00 73.23 C ATOM 341 C GLY A 22 -15.064 -7.838 -2.628 1.00 51.43 C ATOM 342 O GLY A 22 -15.470 -6.951 -1.882 1.00 53.53 O ATOM 0 H GLY A 22 -16.421 -8.592 -0.700 1.00 73.12 H new ATOM 0 HA2 GLY A 22 -14.157 -9.675 -2.013 1.00 73.23 H new ATOM 0 HA3 GLY A 22 -15.572 -9.878 -3.026 1.00 73.23 H new ATOM 346 N THR A 23 -14.546 -7.587 -3.816 1.00 74.12 N ATOM 347 CA THR A 23 -14.400 -6.225 -4.307 1.00 50.14 C ATOM 348 C THR A 23 -15.124 -6.045 -5.635 1.00 14.33 C ATOM 349 O THR A 23 -15.222 -6.984 -6.430 1.00 23.23 O ATOM 350 CB THR A 23 -12.915 -5.848 -4.496 1.00 73.52 C ATOM 351 OG1 THR A 23 -12.238 -6.868 -5.250 1.00 61.24 O ATOM 352 CG2 THR A 23 -12.222 -5.650 -3.155 1.00 32.13 C ATOM 0 H THR A 23 -14.219 -8.307 -4.460 1.00 74.12 H new ATOM 0 HA THR A 23 -14.841 -5.569 -3.556 1.00 50.14 H new ATOM 0 HB THR A 23 -12.874 -4.906 -5.043 1.00 73.52 H new ATOM 0 HG1 THR A 23 -11.297 -6.619 -5.366 1.00 61.24 H new ATOM 0 HG21 THR A 23 -11.178 -5.385 -3.321 1.00 32.13 H new ATOM 0 HG22 THR A 23 -12.716 -4.849 -2.605 1.00 32.13 H new ATOM 0 HG23 THR A 23 -12.275 -6.573 -2.578 1.00 32.13 H new ATOM 360 N LYS A 24 -15.647 -4.851 -5.866 1.00 21.41 N ATOM 361 CA LYS A 24 -16.190 -4.513 -7.169 1.00 13.44 C ATOM 362 C LYS A 24 -15.259 -3.523 -7.851 1.00 65.32 C ATOM 363 O LYS A 24 -14.713 -2.624 -7.206 1.00 72.44 O ATOM 364 CB LYS A 24 -17.614 -3.927 -7.080 1.00 44.34 C ATOM 365 CG LYS A 24 -17.672 -2.470 -6.642 1.00 15.41 C ATOM 366 CD LYS A 24 -18.977 -1.807 -7.068 1.00 52.42 C ATOM 367 CE LYS A 24 -18.941 -0.304 -6.825 1.00 23.25 C ATOM 368 NZ LYS A 24 -20.159 0.388 -7.334 1.00 23.24 N ATOM 0 H LYS A 24 -15.706 -4.105 -5.172 1.00 21.41 H new ATOM 0 HA LYS A 24 -16.263 -5.431 -7.752 1.00 13.44 H new ATOM 0 HB2 LYS A 24 -18.093 -4.019 -8.055 1.00 44.34 H new ATOM 0 HB3 LYS A 24 -18.197 -4.527 -6.381 1.00 44.34 H new ATOM 0 HG2 LYS A 24 -17.570 -2.411 -5.558 1.00 15.41 H new ATOM 0 HG3 LYS A 24 -16.830 -1.927 -7.071 1.00 15.41 H new ATOM 0 HD2 LYS A 24 -19.158 -2.002 -8.125 1.00 52.42 H new ATOM 0 HD3 LYS A 24 -19.808 -2.247 -6.516 1.00 52.42 H new ATOM 0 HE2 LYS A 24 -18.840 -0.115 -5.756 1.00 23.25 H new ATOM 0 HE3 LYS A 24 -18.059 0.117 -7.308 1.00 23.25 H new ATOM 0 HZ1 LYS A 24 -20.084 1.408 -7.144 1.00 23.24 H new ATOM 0 HZ2 LYS A 24 -20.244 0.232 -8.359 1.00 23.24 H new ATOM 0 HZ3 LYS A 24 -21.000 0.007 -6.855 1.00 23.24 H new ATOM 743 N TYR A 47 -15.691 7.669 -13.649 1.00 43.31 N ATOM 744 CA TYR A 47 -14.957 7.348 -12.440 1.00 72.24 C ATOM 745 C TYR A 47 -14.882 5.845 -12.264 1.00 2.41 C ATOM 746 O TYR A 47 -15.763 5.117 -12.708 1.00 73.13 O ATOM 747 CB TYR A 47 -15.632 7.972 -11.212 1.00 11.30 C ATOM 748 CG TYR A 47 -15.486 9.475 -11.103 1.00 60.15 C ATOM 749 CD1 TYR A 47 -16.112 10.326 -12.003 1.00 14.14 C ATOM 750 CD2 TYR A 47 -14.724 10.041 -10.091 1.00 51.04 C ATOM 751 CE1 TYR A 47 -15.980 11.697 -11.902 1.00 74.22 C ATOM 752 CE2 TYR A 47 -14.585 11.411 -9.982 1.00 34.00 C ATOM 753 CZ TYR A 47 -15.217 12.235 -10.889 1.00 42.21 C ATOM 754 OH TYR A 47 -15.077 13.599 -10.785 1.00 71.01 O ATOM 0 HA TYR A 47 -13.951 7.756 -12.533 1.00 72.24 H new ATOM 0 HB2 TYR A 47 -16.693 7.725 -11.233 1.00 11.30 H new ATOM 0 HB3 TYR A 47 -15.216 7.514 -10.314 1.00 11.30 H new ATOM 0 HD1 TYR A 47 -16.713 9.908 -12.797 1.00 14.14 H new ATOM 0 HD2 TYR A 47 -14.231 9.399 -9.376 1.00 51.04 H new ATOM 0 HE1 TYR A 47 -16.472 12.344 -12.613 1.00 74.22 H new ATOM 0 HE2 TYR A 47 -13.984 11.834 -9.191 1.00 34.00 H new ATOM 0 HH TYR A 47 -14.508 13.812 -10.016 1.00 71.01 H new ATOM 764 N TYR A 48 -13.826 5.383 -11.632 1.00 23.01 N ATOM 765 CA TYR A 48 -13.712 3.985 -11.286 1.00 62.51 C ATOM 766 C TYR A 48 -14.358 3.749 -9.935 1.00 50.34 C ATOM 767 O TYR A 48 -13.936 4.313 -8.922 1.00 72.52 O ATOM 768 CB TYR A 48 -12.252 3.539 -11.269 1.00 31.43 C ATOM 769 CG TYR A 48 -11.697 3.239 -12.642 1.00 45.45 C ATOM 770 CD1 TYR A 48 -11.475 4.248 -13.567 1.00 1.41 C ATOM 771 CD2 TYR A 48 -11.391 1.938 -13.008 1.00 14.14 C ATOM 772 CE1 TYR A 48 -10.960 3.969 -14.818 1.00 34.00 C ATOM 773 CE2 TYR A 48 -10.871 1.648 -14.254 1.00 41.04 C ATOM 774 CZ TYR A 48 -10.655 2.669 -15.156 1.00 44.21 C ATOM 775 OH TYR A 48 -10.143 2.388 -16.403 1.00 53.42 O ATOM 0 H TYR A 48 -13.033 5.957 -11.347 1.00 23.01 H new ATOM 0 HA TYR A 48 -14.227 3.392 -12.042 1.00 62.51 H new ATOM 0 HB2 TYR A 48 -11.648 4.318 -10.804 1.00 31.43 H new ATOM 0 HB3 TYR A 48 -12.159 2.649 -10.646 1.00 31.43 H new ATOM 0 HD1 TYR A 48 -11.709 5.269 -13.305 1.00 1.41 H new ATOM 0 HD2 TYR A 48 -11.562 1.136 -12.306 1.00 14.14 H new ATOM 0 HE1 TYR A 48 -10.797 4.767 -15.528 1.00 34.00 H new ATOM 0 HE2 TYR A 48 -10.635 0.628 -14.521 1.00 41.04 H new ATOM 0 HH TYR A 48 -9.981 1.425 -16.481 1.00 53.42 H new ATOM 785 N GLY A 49 -15.399 2.943 -9.931 1.00 43.40 N ATOM 786 CA GLY A 49 -16.122 2.669 -8.712 1.00 4.13 C ATOM 787 C GLY A 49 -15.560 1.473 -7.981 1.00 44.25 C ATOM 788 O GLY A 49 -16.035 0.349 -8.156 1.00 41.13 O ATOM 0 H GLY A 49 -15.761 2.468 -10.758 1.00 43.40 H new ATOM 0 HA2 GLY A 49 -16.083 3.543 -8.062 1.00 4.13 H new ATOM 0 HA3 GLY A 49 -17.172 2.492 -8.945 1.00 4.13 H new ATOM 792 N PHE A 50 -14.533 1.709 -7.182 1.00 21.41 N ATOM 793 CA PHE A 50 -13.953 0.662 -6.363 1.00 4.21 C ATOM 794 C PHE A 50 -14.664 0.592 -5.030 1.00 41.51 C ATOM 795 O PHE A 50 -14.833 1.602 -4.349 1.00 14.12 O ATOM 796 CB PHE A 50 -12.461 0.891 -6.147 1.00 54.43 C ATOM 797 CG PHE A 50 -11.610 0.284 -7.218 1.00 5.42 C ATOM 798 CD1 PHE A 50 -11.247 -1.054 -7.152 1.00 2.11 C ATOM 799 CD2 PHE A 50 -11.176 1.040 -8.289 1.00 21.11 C ATOM 800 CE1 PHE A 50 -10.464 -1.621 -8.135 1.00 62.34 C ATOM 801 CE2 PHE A 50 -10.395 0.479 -9.272 1.00 34.53 C ATOM 802 CZ PHE A 50 -10.037 -0.853 -9.199 1.00 31.13 C ATOM 0 H PHE A 50 -14.084 2.620 -7.084 1.00 21.41 H new ATOM 0 HA PHE A 50 -14.077 -0.285 -6.888 1.00 4.21 H new ATOM 0 HB2 PHE A 50 -12.267 1.963 -6.102 1.00 54.43 H new ATOM 0 HB3 PHE A 50 -12.172 0.474 -5.182 1.00 54.43 H new ATOM 0 HD1 PHE A 50 -11.582 -1.658 -6.321 1.00 2.11 H new ATOM 0 HD2 PHE A 50 -11.453 2.082 -8.355 1.00 21.11 H new ATOM 0 HE1 PHE A 50 -10.186 -2.663 -8.073 1.00 62.34 H new ATOM 0 HE2 PHE A 50 -10.061 1.082 -10.103 1.00 34.53 H new ATOM 0 HZ PHE A 50 -9.425 -1.292 -9.973 1.00 31.13 H new ATOM 812 N SER A 51 -15.115 -0.591 -4.674 1.00 1.32 N ATOM 813 CA SER A 51 -15.817 -0.781 -3.420 1.00 1.43 C ATOM 814 C SER A 51 -15.639 -2.203 -2.918 1.00 33.33 C ATOM 815 O SER A 51 -15.574 -3.143 -3.711 1.00 73.15 O ATOM 816 CB SER A 51 -17.304 -0.482 -3.603 1.00 74.11 C ATOM 817 OG SER A 51 -17.490 0.737 -4.296 1.00 20.31 O ATOM 0 H SER A 51 -15.009 -1.437 -5.234 1.00 1.32 H new ATOM 0 HA SER A 51 -15.399 -0.095 -2.684 1.00 1.43 H new ATOM 0 HB2 SER A 51 -17.778 -1.295 -4.154 1.00 74.11 H new ATOM 0 HB3 SER A 51 -17.792 -0.430 -2.630 1.00 74.11 H new ATOM 0 HG SER A 51 -18.137 1.292 -3.813 1.00 20.31 H new ATOM 823 N PHE A 52 -15.557 -2.355 -1.607 1.00 63.23 N ATOM 824 CA PHE A 52 -15.475 -3.670 -1.010 1.00 24.24 C ATOM 825 C PHE A 52 -16.838 -4.088 -0.494 1.00 21.12 C ATOM 826 O PHE A 52 -17.439 -3.404 0.346 1.00 13.31 O ATOM 827 CB PHE A 52 -14.459 -3.723 0.131 1.00 34.23 C ATOM 828 CG PHE A 52 -14.204 -5.131 0.598 1.00 60.24 C ATOM 829 CD1 PHE A 52 -15.021 -5.725 1.549 1.00 45.21 C ATOM 830 CD2 PHE A 52 -13.163 -5.868 0.064 1.00 63.33 C ATOM 831 CE1 PHE A 52 -14.800 -7.024 1.958 1.00 42.32 C ATOM 832 CE2 PHE A 52 -12.940 -7.169 0.466 1.00 60.10 C ATOM 833 CZ PHE A 52 -13.760 -7.748 1.414 1.00 15.20 C ATOM 0 H PHE A 52 -15.546 -1.583 -0.940 1.00 63.23 H new ATOM 0 HA PHE A 52 -15.140 -4.359 -1.785 1.00 24.24 H new ATOM 0 HB2 PHE A 52 -13.521 -3.275 -0.198 1.00 34.23 H new ATOM 0 HB3 PHE A 52 -14.822 -3.125 0.967 1.00 34.23 H new ATOM 0 HD1 PHE A 52 -15.840 -5.164 1.974 1.00 45.21 H new ATOM 0 HD2 PHE A 52 -12.517 -5.420 -0.676 1.00 63.33 H new ATOM 0 HE1 PHE A 52 -15.440 -7.473 2.703 1.00 42.32 H new ATOM 0 HE2 PHE A 52 -12.124 -7.734 0.039 1.00 60.10 H new ATOM 0 HZ PHE A 52 -13.587 -8.766 1.729 1.00 15.20 H new ATOM 843 N PHE A 53 -17.299 -5.220 -0.990 1.00 73.51 N ATOM 844 CA PHE A 53 -18.588 -5.764 -0.626 1.00 71.43 C ATOM 845 C PHE A 53 -18.447 -6.808 0.464 1.00 60.20 C ATOM 846 O PHE A 53 -17.555 -7.650 0.422 1.00 40.03 O ATOM 847 CB PHE A 53 -19.259 -6.386 -1.846 1.00 64.11 C ATOM 848 CG PHE A 53 -20.173 -5.443 -2.565 1.00 51.13 C ATOM 849 CD1 PHE A 53 -19.702 -4.605 -3.562 1.00 62.53 C ATOM 850 CD2 PHE A 53 -21.510 -5.401 -2.231 1.00 12.53 C ATOM 851 CE1 PHE A 53 -20.559 -3.739 -4.212 1.00 3.14 C ATOM 852 CE2 PHE A 53 -22.372 -4.537 -2.874 1.00 31.15 C ATOM 853 CZ PHE A 53 -21.896 -3.705 -3.868 1.00 61.41 C ATOM 0 H PHE A 53 -16.784 -5.790 -1.661 1.00 73.51 H new ATOM 0 HA PHE A 53 -19.205 -4.948 -0.249 1.00 71.43 H new ATOM 0 HB2 PHE A 53 -18.491 -6.734 -2.537 1.00 64.11 H new ATOM 0 HB3 PHE A 53 -19.826 -7.262 -1.533 1.00 64.11 H new ATOM 0 HD1 PHE A 53 -18.657 -4.629 -3.833 1.00 62.53 H new ATOM 0 HD2 PHE A 53 -21.887 -6.052 -1.457 1.00 12.53 H new ATOM 0 HE1 PHE A 53 -20.184 -3.089 -4.989 1.00 3.14 H new ATOM 0 HE2 PHE A 53 -23.417 -4.511 -2.601 1.00 31.15 H new ATOM 0 HZ PHE A 53 -22.568 -3.029 -4.375 1.00 61.41 H new ATOM 863 N ARG A 54 -19.331 -6.744 1.438 1.00 22.31 N ATOM 864 CA ARG A 54 -19.359 -7.721 2.511 1.00 63.40 C ATOM 865 C ARG A 54 -20.811 -7.952 2.911 1.00 61.15 C ATOM 866 O ARG A 54 -21.426 -7.085 3.538 1.00 3.43 O ATOM 867 CB ARG A 54 -18.524 -7.224 3.699 1.00 64.14 C ATOM 868 CG ARG A 54 -17.958 -8.335 4.571 1.00 63.53 C ATOM 869 CD ARG A 54 -18.817 -8.601 5.795 1.00 2.24 C ATOM 870 NE ARG A 54 -18.304 -9.714 6.602 1.00 51.22 N ATOM 871 CZ ARG A 54 -18.203 -9.686 7.938 1.00 50.23 C ATOM 872 NH1 ARG A 54 -18.496 -8.584 8.604 1.00 44.22 N ATOM 873 NH2 ARG A 54 -17.775 -10.751 8.609 1.00 42.30 N ATOM 0 H ARG A 54 -20.046 -6.020 1.510 1.00 22.31 H new ATOM 0 HA ARG A 54 -18.924 -8.664 2.179 1.00 63.40 H new ATOM 0 HB2 ARG A 54 -17.700 -6.618 3.322 1.00 64.14 H new ATOM 0 HB3 ARG A 54 -19.142 -6.572 4.316 1.00 64.14 H new ATOM 0 HG2 ARG A 54 -17.875 -9.249 3.983 1.00 63.53 H new ATOM 0 HG3 ARG A 54 -16.950 -8.067 4.888 1.00 63.53 H new ATOM 0 HD2 ARG A 54 -18.862 -7.701 6.408 1.00 2.24 H new ATOM 0 HD3 ARG A 54 -19.837 -8.823 5.480 1.00 2.24 H new ATOM 0 HE ARG A 54 -18.006 -10.560 6.117 1.00 51.22 H new ATOM 0 HH11 ARG A 54 -18.800 -7.750 8.102 1.00 44.22 H new ATOM 0 HH12 ARG A 54 -18.418 -8.567 9.621 1.00 44.22 H new ATOM 0 HH21 ARG A 54 -17.519 -11.601 8.107 1.00 42.30 H new ATOM 0 HH22 ARG A 54 -17.702 -10.718 9.626 1.00 42.30 H new ATOM 887 N HIS A 55 -21.365 -9.097 2.503 1.00 61.40 N ATOM 888 CA HIS A 55 -22.790 -9.404 2.693 1.00 33.21 C ATOM 889 C HIS A 55 -23.669 -8.508 1.834 1.00 32.04 C ATOM 890 O HIS A 55 -24.842 -8.296 2.134 1.00 63.45 O ATOM 891 CB HIS A 55 -23.205 -9.285 4.159 1.00 20.44 C ATOM 892 CG HIS A 55 -22.957 -10.529 4.939 1.00 45.33 C ATOM 893 ND1 HIS A 55 -23.960 -11.327 5.440 1.00 62.12 N ATOM 894 CD2 HIS A 55 -21.793 -11.119 5.295 1.00 42.44 C ATOM 895 CE1 HIS A 55 -23.389 -12.354 6.070 1.00 4.10 C ATOM 896 NE2 HIS A 55 -22.076 -12.273 6.010 1.00 1.31 N ATOM 0 H HIS A 55 -20.843 -9.836 2.033 1.00 61.40 H new ATOM 0 HA HIS A 55 -22.932 -10.438 2.380 1.00 33.21 H new ATOM 0 HB2 HIS A 55 -22.660 -8.460 4.619 1.00 20.44 H new ATOM 0 HB3 HIS A 55 -24.265 -9.036 4.211 1.00 20.44 H new ATOM 0 HD2 HIS A 55 -20.805 -10.751 5.061 1.00 42.44 H new ATOM 0 HE1 HIS A 55 -23.931 -13.147 6.564 1.00 4.10 H new ATOM 0 HE2 HIS A 55 -21.403 -12.927 6.409 1.00 1.31 H new ATOM 904 N GLY A 56 -23.104 -7.999 0.753 1.00 10.41 N ATOM 905 CA GLY A 56 -23.854 -7.129 -0.126 1.00 43.01 C ATOM 906 C GLY A 56 -23.840 -5.695 0.348 1.00 51.45 C ATOM 907 O GLY A 56 -24.355 -4.804 -0.329 1.00 73.21 O ATOM 0 H GLY A 56 -22.140 -8.172 0.468 1.00 10.41 H new ATOM 0 HA2 GLY A 56 -23.436 -7.182 -1.131 1.00 43.01 H new ATOM 0 HA3 GLY A 56 -24.884 -7.479 -0.190 1.00 43.01 H new ATOM 911 N ASN A 57 -23.258 -5.473 1.520 1.00 20.42 N ATOM 912 CA ASN A 57 -23.102 -4.126 2.045 1.00 14.33 C ATOM 913 C ASN A 57 -21.782 -3.551 1.574 1.00 0.44 C ATOM 914 O ASN A 57 -20.964 -4.255 0.976 1.00 74.12 O ATOM 915 CB ASN A 57 -23.131 -4.094 3.577 1.00 71.05 C ATOM 916 CG ASN A 57 -24.309 -4.828 4.174 1.00 64.33 C ATOM 917 OD1 ASN A 57 -25.404 -4.278 4.312 1.00 2.41 O ATOM 918 ND2 ASN A 57 -24.075 -6.065 4.566 1.00 72.00 N ATOM 0 H ASN A 57 -22.888 -6.208 2.123 1.00 20.42 H new ATOM 0 HA ASN A 57 -23.940 -3.534 1.676 1.00 14.33 H new ATOM 0 HB2 ASN A 57 -22.209 -4.532 3.959 1.00 71.05 H new ATOM 0 HB3 ASN A 57 -23.153 -3.056 3.910 1.00 71.05 H new ATOM 0 HD21 ASN A 57 -24.817 -6.610 5.005 1.00 72.00 H new ATOM 0 HD22 ASN A 57 -23.152 -6.477 4.430 1.00 72.00 H new ATOM 925 N ILE A 58 -21.565 -2.289 1.876 1.00 44.33 N ATOM 926 CA ILE A 58 -20.342 -1.615 1.481 1.00 2.13 C ATOM 927 C ILE A 58 -19.514 -1.262 2.697 1.00 31.42 C ATOM 928 O ILE A 58 -19.899 -0.420 3.511 1.00 34.32 O ATOM 929 CB ILE A 58 -20.621 -0.342 0.654 1.00 23.11 C ATOM 930 CG1 ILE A 58 -21.189 -0.727 -0.710 1.00 75.14 C ATOM 931 CG2 ILE A 58 -19.349 0.485 0.490 1.00 24.41 C ATOM 932 CD1 ILE A 58 -20.198 -1.451 -1.592 1.00 4.21 C ATOM 0 H ILE A 58 -22.221 -1.705 2.396 1.00 44.33 H new ATOM 0 HA ILE A 58 -19.786 -2.308 0.850 1.00 2.13 H new ATOM 0 HB ILE A 58 -21.353 0.268 1.184 1.00 23.11 H new ATOM 0 HG12 ILE A 58 -22.065 -1.360 -0.565 1.00 75.14 H new ATOM 0 HG13 ILE A 58 -21.528 0.174 -1.221 1.00 75.14 H new ATOM 0 HG21 ILE A 58 -19.568 1.378 -0.096 1.00 24.41 H new ATOM 0 HG22 ILE A 58 -18.976 0.778 1.472 1.00 24.41 H new ATOM 0 HG23 ILE A 58 -18.592 -0.109 -0.023 1.00 24.41 H new ATOM 0 HD11 ILE A 58 -20.669 -1.694 -2.545 1.00 4.21 H new ATOM 0 HD12 ILE A 58 -19.332 -0.812 -1.767 1.00 4.21 H new ATOM 0 HD13 ILE A 58 -19.877 -2.370 -1.101 1.00 4.21 H new ATOM 944 N VAL A 59 -18.390 -1.928 2.819 1.00 25.41 N ATOM 945 CA VAL A 59 -17.456 -1.649 3.893 1.00 31.31 C ATOM 946 C VAL A 59 -16.435 -0.619 3.435 1.00 32.31 C ATOM 947 O VAL A 59 -16.039 0.271 4.189 1.00 23.11 O ATOM 948 CB VAL A 59 -16.727 -2.924 4.353 1.00 62.10 C ATOM 949 CG1 VAL A 59 -15.679 -2.593 5.401 1.00 72.32 C ATOM 950 CG2 VAL A 59 -17.715 -3.941 4.899 1.00 3.15 C ATOM 0 H VAL A 59 -18.096 -2.672 2.186 1.00 25.41 H new ATOM 0 HA VAL A 59 -18.025 -1.259 4.737 1.00 31.31 H new ATOM 0 HB VAL A 59 -16.227 -3.359 3.488 1.00 62.10 H new ATOM 0 HG11 VAL A 59 -15.175 -3.508 5.713 1.00 72.32 H new ATOM 0 HG12 VAL A 59 -14.949 -1.902 4.980 1.00 72.32 H new ATOM 0 HG13 VAL A 59 -16.160 -2.131 6.263 1.00 72.32 H new ATOM 0 HG21 VAL A 59 -17.178 -4.834 5.218 1.00 3.15 H new ATOM 0 HG22 VAL A 59 -18.245 -3.513 5.750 1.00 3.15 H new ATOM 0 HG23 VAL A 59 -18.431 -4.206 4.121 1.00 3.15 H new ATOM 960 N ALA A 60 -16.020 -0.741 2.185 1.00 70.04 N ATOM 961 CA ALA A 60 -15.055 0.181 1.615 1.00 74.31 C ATOM 962 C ALA A 60 -15.585 0.767 0.324 1.00 4.20 C ATOM 963 O ALA A 60 -16.065 0.039 -0.535 1.00 1.52 O ATOM 964 CB ALA A 60 -13.730 -0.519 1.358 1.00 44.35 C ATOM 0 H ALA A 60 -16.337 -1.470 1.546 1.00 70.04 H new ATOM 0 HA ALA A 60 -14.892 0.987 2.331 1.00 74.31 H new ATOM 0 HB1 ALA A 60 -13.021 0.190 0.931 1.00 44.35 H new ATOM 0 HB2 ALA A 60 -13.335 -0.906 2.297 1.00 44.35 H new ATOM 0 HB3 ALA A 60 -13.883 -1.343 0.662 1.00 44.35 H new ATOM 970 N TYR A 61 -15.518 2.076 0.192 1.00 62.12 N ATOM 971 CA TYR A 61 -15.897 2.714 -1.050 1.00 55.30 C ATOM 972 C TYR A 61 -14.854 3.749 -1.437 1.00 13.21 C ATOM 973 O TYR A 61 -14.419 4.549 -0.604 1.00 34.14 O ATOM 974 CB TYR A 61 -17.275 3.365 -0.929 1.00 13.51 C ATOM 975 CG TYR A 61 -18.030 3.434 -2.243 1.00 41.44 C ATOM 976 CD1 TYR A 61 -17.676 4.343 -3.233 1.00 63.40 C ATOM 977 CD2 TYR A 61 -19.096 2.576 -2.493 1.00 51.02 C ATOM 978 CE1 TYR A 61 -18.363 4.394 -4.433 1.00 40.13 C ATOM 979 CE2 TYR A 61 -19.785 2.621 -3.690 1.00 13.33 C ATOM 980 CZ TYR A 61 -19.415 3.532 -4.654 1.00 71.33 C ATOM 981 OH TYR A 61 -20.099 3.579 -5.847 1.00 2.23 O ATOM 0 H TYR A 61 -15.207 2.714 0.924 1.00 62.12 H new ATOM 0 HA TYR A 61 -15.951 1.954 -1.829 1.00 55.30 H new ATOM 0 HB2 TYR A 61 -17.870 2.806 -0.206 1.00 13.51 H new ATOM 0 HB3 TYR A 61 -17.158 4.374 -0.533 1.00 13.51 H new ATOM 0 HD1 TYR A 61 -16.852 5.020 -3.063 1.00 63.40 H new ATOM 0 HD2 TYR A 61 -19.390 1.862 -1.738 1.00 51.02 H new ATOM 0 HE1 TYR A 61 -18.076 5.106 -5.193 1.00 40.13 H new ATOM 0 HE2 TYR A 61 -20.609 1.946 -3.868 1.00 13.33 H new ATOM 0 HH TYR A 61 -20.811 2.905 -5.843 1.00 2.23 H new ATOM 991 N GLY A 62 -14.430 3.693 -2.683 1.00 72.22 N ATOM 992 CA GLY A 62 -13.492 4.656 -3.200 1.00 13.05 C ATOM 993 C GLY A 62 -13.820 5.024 -4.627 1.00 53.20 C ATOM 994 O GLY A 62 -13.549 4.260 -5.551 1.00 33.12 O ATOM 0 H GLY A 62 -14.725 2.985 -3.356 1.00 72.22 H new ATOM 0 HA2 GLY A 62 -13.506 5.551 -2.578 1.00 13.05 H new ATOM 0 HA3 GLY A 62 -12.482 4.248 -3.149 1.00 13.05 H new ATOM 998 N LYS A 63 -14.426 6.181 -4.808 1.00 62.33 N ATOM 999 CA LYS A 63 -14.798 6.643 -6.130 1.00 32.02 C ATOM 1000 C LYS A 63 -13.798 7.684 -6.613 1.00 73.42 C ATOM 1001 O LYS A 63 -13.638 8.740 -5.998 1.00 30.04 O ATOM 1002 CB LYS A 63 -16.202 7.244 -6.110 1.00 1.53 C ATOM 1003 CG LYS A 63 -16.695 7.672 -7.481 1.00 41.21 C ATOM 1004 CD LYS A 63 -17.529 6.588 -8.147 1.00 11.10 C ATOM 1005 CE LYS A 63 -18.829 6.341 -7.392 1.00 53.21 C ATOM 1006 NZ LYS A 63 -19.765 5.473 -8.154 1.00 64.23 N ATOM 0 H LYS A 63 -14.672 6.820 -4.052 1.00 62.33 H new ATOM 0 HA LYS A 63 -14.792 5.793 -6.812 1.00 32.02 H new ATOM 0 HB2 LYS A 63 -16.896 6.513 -5.694 1.00 1.53 H new ATOM 0 HB3 LYS A 63 -16.210 8.107 -5.444 1.00 1.53 H new ATOM 0 HG2 LYS A 63 -17.290 8.581 -7.386 1.00 41.21 H new ATOM 0 HG3 LYS A 63 -15.842 7.914 -8.114 1.00 41.21 H new ATOM 0 HD2 LYS A 63 -17.753 6.879 -9.173 1.00 11.10 H new ATOM 0 HD3 LYS A 63 -16.954 5.663 -8.196 1.00 11.10 H new ATOM 0 HE2 LYS A 63 -18.607 5.877 -6.431 1.00 53.21 H new ATOM 0 HE3 LYS A 63 -19.312 7.295 -7.181 1.00 53.21 H new ATOM 0 HZ1 LYS A 63 -20.593 6.029 -8.448 1.00 64.23 H new ATOM 0 HZ2 LYS A 63 -19.283 5.098 -8.996 1.00 64.23 H new ATOM 0 HZ3 LYS A 63 -20.074 4.683 -7.552 1.00 64.23 H new ATOM 1020 N SER A 64 -13.123 7.385 -7.706 1.00 4.21 N ATOM 1021 CA SER A 64 -12.132 8.292 -8.264 1.00 32.45 C ATOM 1022 C SER A 64 -11.988 8.083 -9.761 1.00 32.40 C ATOM 1023 O SER A 64 -12.215 6.986 -10.269 1.00 54.23 O ATOM 1024 CB SER A 64 -10.771 8.094 -7.596 1.00 45.45 C ATOM 1025 OG SER A 64 -10.830 8.385 -6.213 1.00 62.31 O ATOM 0 H SER A 64 -13.242 6.517 -8.229 1.00 4.21 H new ATOM 0 HA SER A 64 -12.479 9.308 -8.075 1.00 32.45 H new ATOM 0 HB2 SER A 64 -10.439 7.066 -7.740 1.00 45.45 H new ATOM 0 HB3 SER A 64 -10.032 8.737 -8.074 1.00 45.45 H new ATOM 0 HG SER A 64 -9.941 8.649 -5.896 1.00 62.31 H new ATOM 1031 N ARG A 65 -11.610 9.142 -10.454 1.00 73.41 N ATOM 1032 CA ARG A 65 -11.364 9.084 -11.885 1.00 52.32 C ATOM 1033 C ARG A 65 -10.157 8.190 -12.148 1.00 34.11 C ATOM 1034 O ARG A 65 -10.051 7.543 -13.189 1.00 21.03 O ATOM 1035 CB ARG A 65 -11.113 10.498 -12.409 1.00 20.41 C ATOM 1036 CG ARG A 65 -11.165 10.631 -13.920 1.00 14.33 C ATOM 1037 CD ARG A 65 -10.882 12.061 -14.343 1.00 55.43 C ATOM 1038 NE ARG A 65 -11.210 12.304 -15.744 1.00 51.00 N ATOM 1039 CZ ARG A 65 -11.868 13.380 -16.170 1.00 25.20 C ATOM 1040 NH1 ARG A 65 -12.264 14.303 -15.301 1.00 5.20 N ATOM 1041 NH2 ARG A 65 -12.128 13.544 -17.461 1.00 61.33 N ATOM 0 H ARG A 65 -11.465 10.064 -10.043 1.00 73.41 H new ATOM 0 HA ARG A 65 -12.229 8.668 -12.401 1.00 52.32 H new ATOM 0 HB2 ARG A 65 -11.853 11.169 -11.973 1.00 20.41 H new ATOM 0 HB3 ARG A 65 -10.135 10.832 -12.062 1.00 20.41 H new ATOM 0 HG2 ARG A 65 -10.435 9.961 -14.374 1.00 14.33 H new ATOM 0 HG3 ARG A 65 -12.147 10.327 -14.283 1.00 14.33 H new ATOM 0 HD2 ARG A 65 -11.456 12.743 -13.715 1.00 55.43 H new ATOM 0 HD3 ARG A 65 -9.828 12.284 -14.176 1.00 55.43 H new ATOM 0 HE ARG A 65 -10.919 11.612 -16.434 1.00 51.00 H new ATOM 0 HH11 ARG A 65 -12.064 14.187 -14.308 1.00 5.20 H new ATOM 0 HH12 ARG A 65 -12.768 15.128 -15.627 1.00 5.20 H new ATOM 0 HH21 ARG A 65 -11.823 12.842 -18.136 1.00 61.33 H new ATOM 0 HH22 ARG A 65 -12.633 14.372 -17.778 1.00 61.33 H new ATOM 1055 N LYS A 66 -9.264 8.148 -11.167 1.00 21.24 N ATOM 1056 CA LYS A 66 -8.068 7.330 -11.233 1.00 3.13 C ATOM 1057 C LYS A 66 -8.329 5.960 -10.612 1.00 20.01 C ATOM 1058 O LYS A 66 -8.751 5.869 -9.458 1.00 51.21 O ATOM 1059 CB LYS A 66 -6.927 8.029 -10.491 1.00 42.21 C ATOM 1060 CG LYS A 66 -5.612 7.268 -10.512 1.00 22.34 C ATOM 1061 CD LYS A 66 -4.537 7.993 -9.719 1.00 45.35 C ATOM 1062 CE LYS A 66 -4.236 9.362 -10.305 1.00 63.35 C ATOM 1063 NZ LYS A 66 -3.213 10.092 -9.511 1.00 52.42 N ATOM 0 H LYS A 66 -9.353 8.683 -10.303 1.00 21.24 H new ATOM 0 HA LYS A 66 -7.790 7.192 -12.278 1.00 3.13 H new ATOM 0 HB2 LYS A 66 -6.771 9.014 -10.932 1.00 42.21 H new ATOM 0 HB3 LYS A 66 -7.226 8.187 -9.455 1.00 42.21 H new ATOM 0 HG2 LYS A 66 -5.761 6.271 -10.098 1.00 22.34 H new ATOM 0 HG3 LYS A 66 -5.281 7.139 -11.543 1.00 22.34 H new ATOM 0 HD2 LYS A 66 -4.860 8.103 -8.684 1.00 45.35 H new ATOM 0 HD3 LYS A 66 -3.627 7.394 -9.707 1.00 45.35 H new ATOM 0 HE2 LYS A 66 -3.886 9.249 -11.331 1.00 63.35 H new ATOM 0 HE3 LYS A 66 -5.153 9.950 -10.344 1.00 63.35 H new ATOM 0 HZ1 LYS A 66 -3.036 11.021 -9.943 1.00 52.42 H new ATOM 0 HZ2 LYS A 66 -3.557 10.223 -8.538 1.00 52.42 H new ATOM 0 HZ3 LYS A 66 -2.330 9.544 -9.495 1.00 52.42 H new ATOM 1077 N VAL A 67 -8.065 4.909 -11.380 1.00 60.32 N ATOM 1078 CA VAL A 67 -8.271 3.534 -10.926 1.00 12.44 C ATOM 1079 C VAL A 67 -7.477 3.254 -9.643 1.00 61.24 C ATOM 1080 O VAL A 67 -8.002 2.695 -8.683 1.00 73.22 O ATOM 1081 CB VAL A 67 -7.882 2.521 -12.042 1.00 14.33 C ATOM 1082 CG1 VAL A 67 -6.443 2.702 -12.479 1.00 61.34 C ATOM 1083 CG2 VAL A 67 -8.118 1.083 -11.611 1.00 10.22 C ATOM 0 H VAL A 67 -7.704 4.983 -12.331 1.00 60.32 H new ATOM 0 HA VAL A 67 -9.331 3.409 -10.703 1.00 12.44 H new ATOM 0 HB VAL A 67 -8.532 2.731 -12.891 1.00 14.33 H new ATOM 0 HG11 VAL A 67 -6.206 1.978 -13.259 1.00 61.34 H new ATOM 0 HG12 VAL A 67 -6.305 3.711 -12.866 1.00 61.34 H new ATOM 0 HG13 VAL A 67 -5.782 2.547 -11.627 1.00 61.34 H new ATOM 0 HG21 VAL A 67 -7.833 0.410 -12.419 1.00 10.22 H new ATOM 0 HG22 VAL A 67 -7.517 0.864 -10.728 1.00 10.22 H new ATOM 0 HG23 VAL A 67 -9.173 0.942 -11.376 1.00 10.22 H new ATOM 1093 N ALA A 68 -6.222 3.683 -9.629 1.00 4.13 N ATOM 1094 CA ALA A 68 -5.343 3.475 -8.487 1.00 52.23 C ATOM 1095 C ALA A 68 -5.768 4.306 -7.279 1.00 25.14 C ATOM 1096 O ALA A 68 -5.663 3.847 -6.144 1.00 22.12 O ATOM 1097 CB ALA A 68 -3.910 3.800 -8.870 1.00 55.11 C ATOM 0 H ALA A 68 -5.787 4.182 -10.405 1.00 4.13 H new ATOM 0 HA ALA A 68 -5.415 2.426 -8.201 1.00 52.23 H new ATOM 0 HB1 ALA A 68 -3.259 3.642 -8.010 1.00 55.11 H new ATOM 0 HB2 ALA A 68 -3.596 3.151 -9.687 1.00 55.11 H new ATOM 0 HB3 ALA A 68 -3.845 4.841 -9.188 1.00 55.11 H new ATOM 1103 N ASN A 69 -6.249 5.523 -7.520 1.00 1.21 N ATOM 1104 CA ASN A 69 -6.646 6.410 -6.425 1.00 4.04 C ATOM 1105 C ASN A 69 -7.900 5.876 -5.755 1.00 51.22 C ATOM 1106 O ASN A 69 -7.988 5.813 -4.531 1.00 63.04 O ATOM 1107 CB ASN A 69 -6.897 7.834 -6.928 1.00 13.33 C ATOM 1108 CG ASN A 69 -7.013 8.839 -5.794 1.00 61.32 C ATOM 1109 OD1 ASN A 69 -8.228 9.101 -5.339 1.00 11.03 O flip ATOM 1110 ND2 ASN A 69 -6.010 9.390 -5.338 1.00 44.32 N flip ATOM 0 H ASN A 69 -6.373 5.916 -8.453 1.00 1.21 H new ATOM 0 HA ASN A 69 -5.830 6.441 -5.703 1.00 4.04 H new ATOM 0 HB2 ASN A 69 -6.084 8.131 -7.590 1.00 13.33 H new ATOM 0 HB3 ASN A 69 -7.812 7.851 -7.520 1.00 13.33 H new ATOM 0 HD21 ASN A 69 -5.089 9.164 -5.713 1.00 44.32 H new ATOM 0 HD22 ASN A 69 -6.101 10.073 -4.585 1.00 44.32 H new ATOM 1117 N ALA A 70 -8.857 5.483 -6.582 1.00 22.04 N ATOM 1118 CA ALA A 70 -10.105 4.895 -6.114 1.00 4.12 C ATOM 1119 C ALA A 70 -9.831 3.666 -5.262 1.00 34.23 C ATOM 1120 O ALA A 70 -10.374 3.498 -4.166 1.00 35.32 O ATOM 1121 CB ALA A 70 -10.946 4.505 -7.316 1.00 3.13 C ATOM 0 H ALA A 70 -8.791 5.562 -7.597 1.00 22.04 H new ATOM 0 HA ALA A 70 -10.638 5.625 -5.504 1.00 4.12 H new ATOM 0 HB1 ALA A 70 -11.883 4.064 -6.977 1.00 3.13 H new ATOM 0 HB2 ALA A 70 -11.158 5.391 -7.915 1.00 3.13 H new ATOM 0 HB3 ALA A 70 -10.402 3.780 -7.921 1.00 3.13 H new ATOM 1127 N LYS A 71 -8.964 2.828 -5.796 1.00 33.21 N ATOM 1128 CA LYS A 71 -8.552 1.594 -5.165 1.00 40.52 C ATOM 1129 C LYS A 71 -7.851 1.886 -3.842 1.00 20.41 C ATOM 1130 O LYS A 71 -8.055 1.190 -2.849 1.00 40.02 O ATOM 1131 CB LYS A 71 -7.609 0.895 -6.131 1.00 75.52 C ATOM 1132 CG LYS A 71 -7.535 -0.608 -6.013 1.00 71.23 C ATOM 1133 CD LYS A 71 -6.863 -1.183 -7.249 1.00 32.11 C ATOM 1134 CE LYS A 71 -5.513 -0.538 -7.500 1.00 61.44 C ATOM 1135 NZ LYS A 71 -4.812 -1.169 -8.647 1.00 23.13 N ATOM 0 H LYS A 71 -8.519 2.991 -6.699 1.00 33.21 H new ATOM 0 HA LYS A 71 -9.412 0.961 -4.944 1.00 40.52 H new ATOM 0 HB2 LYS A 71 -7.911 1.145 -7.148 1.00 75.52 H new ATOM 0 HB3 LYS A 71 -6.608 1.301 -5.987 1.00 75.52 H new ATOM 0 HG2 LYS A 71 -6.975 -0.886 -5.120 1.00 71.23 H new ATOM 0 HG3 LYS A 71 -8.536 -1.024 -5.904 1.00 71.23 H new ATOM 0 HD2 LYS A 71 -6.736 -2.259 -7.128 1.00 32.11 H new ATOM 0 HD3 LYS A 71 -7.506 -1.033 -8.117 1.00 32.11 H new ATOM 0 HE2 LYS A 71 -5.648 0.526 -7.696 1.00 61.44 H new ATOM 0 HE3 LYS A 71 -4.897 -0.622 -6.605 1.00 61.44 H new ATOM 0 HZ1 LYS A 71 -3.893 -0.704 -8.791 1.00 23.13 H new ATOM 0 HZ2 LYS A 71 -4.662 -2.179 -8.449 1.00 23.13 H new ATOM 0 HZ3 LYS A 71 -5.390 -1.067 -9.506 1.00 23.13 H new ATOM 1149 N TYR A 72 -7.032 2.930 -3.845 1.00 33.43 N ATOM 1150 CA TYR A 72 -6.313 3.366 -2.654 1.00 12.40 C ATOM 1151 C TYR A 72 -7.284 3.694 -1.526 1.00 70.44 C ATOM 1152 O TYR A 72 -7.123 3.227 -0.396 1.00 71.02 O ATOM 1153 CB TYR A 72 -5.459 4.593 -2.994 1.00 70.20 C ATOM 1154 CG TYR A 72 -4.966 5.367 -1.791 1.00 2.01 C ATOM 1155 CD1 TYR A 72 -3.870 4.934 -1.056 1.00 42.42 C ATOM 1156 CD2 TYR A 72 -5.605 6.535 -1.394 1.00 55.43 C ATOM 1157 CE1 TYR A 72 -3.425 5.644 0.042 1.00 60.24 C ATOM 1158 CE2 TYR A 72 -5.167 7.249 -0.299 1.00 14.31 C ATOM 1159 CZ TYR A 72 -4.078 6.800 0.415 1.00 23.13 C ATOM 1160 OH TYR A 72 -3.646 7.509 1.509 1.00 32.01 O ATOM 0 H TYR A 72 -6.847 3.498 -4.672 1.00 33.43 H new ATOM 0 HA TYR A 72 -5.665 2.557 -2.317 1.00 12.40 H new ATOM 0 HB2 TYR A 72 -4.599 4.270 -3.580 1.00 70.20 H new ATOM 0 HB3 TYR A 72 -6.042 5.262 -3.627 1.00 70.20 H new ATOM 0 HD1 TYR A 72 -3.358 4.029 -1.347 1.00 42.42 H new ATOM 0 HD2 TYR A 72 -6.459 6.889 -1.952 1.00 55.43 H new ATOM 0 HE1 TYR A 72 -2.571 5.296 0.605 1.00 60.24 H new ATOM 0 HE2 TYR A 72 -5.675 8.155 -0.003 1.00 14.31 H new ATOM 0 HH TYR A 72 -4.215 8.297 1.633 1.00 32.01 H new ATOM 1170 N ILE A 73 -8.293 4.488 -1.854 1.00 61.24 N ATOM 1171 CA ILE A 73 -9.275 4.943 -0.881 1.00 34.14 C ATOM 1172 C ILE A 73 -9.975 3.775 -0.208 1.00 3.14 C ATOM 1173 O ILE A 73 -9.996 3.684 1.020 1.00 74.33 O ATOM 1174 CB ILE A 73 -10.327 5.842 -1.549 1.00 61.11 C ATOM 1175 CG1 ILE A 73 -9.650 7.078 -2.128 1.00 10.52 C ATOM 1176 CG2 ILE A 73 -11.412 6.235 -0.553 1.00 54.31 C ATOM 1177 CD1 ILE A 73 -10.469 7.755 -3.194 1.00 54.41 C ATOM 0 H ILE A 73 -8.454 4.834 -2.800 1.00 61.24 H new ATOM 0 HA ILE A 73 -8.735 5.512 -0.124 1.00 34.14 H new ATOM 0 HB ILE A 73 -10.804 5.289 -2.358 1.00 61.11 H new ATOM 0 HG12 ILE A 73 -9.453 7.787 -1.324 1.00 10.52 H new ATOM 0 HG13 ILE A 73 -8.684 6.794 -2.546 1.00 10.52 H new ATOM 0 HG21 ILE A 73 -12.146 6.871 -1.047 1.00 54.31 H new ATOM 0 HG22 ILE A 73 -11.904 5.338 -0.178 1.00 54.31 H new ATOM 0 HG23 ILE A 73 -10.963 6.778 0.279 1.00 54.31 H new ATOM 0 HD11 ILE A 73 -9.932 8.628 -3.566 1.00 54.41 H new ATOM 0 HD12 ILE A 73 -10.644 7.060 -4.015 1.00 54.41 H new ATOM 0 HD13 ILE A 73 -11.425 8.069 -2.774 1.00 54.41 H new ATOM 1189 N MET A 74 -10.543 2.881 -1.012 1.00 71.02 N ATOM 1190 CA MET A 74 -11.266 1.739 -0.468 1.00 1.52 C ATOM 1191 C MET A 74 -10.335 0.858 0.369 1.00 2.13 C ATOM 1192 O MET A 74 -10.729 0.364 1.428 1.00 41.34 O ATOM 1193 CB MET A 74 -11.932 0.908 -1.572 1.00 0.52 C ATOM 1194 CG MET A 74 -10.953 0.272 -2.528 1.00 73.44 C ATOM 1195 SD MET A 74 -11.658 -1.129 -3.402 1.00 61.42 S ATOM 1196 CE MET A 74 -10.218 -2.182 -3.443 1.00 33.42 C ATOM 0 H MET A 74 -10.517 2.925 -2.031 1.00 71.02 H new ATOM 0 HA MET A 74 -12.054 2.131 0.175 1.00 1.52 H new ATOM 0 HB2 MET A 74 -12.536 0.126 -1.111 1.00 0.52 H new ATOM 0 HB3 MET A 74 -12.613 1.547 -2.135 1.00 0.52 H new ATOM 0 HG2 MET A 74 -10.620 1.017 -3.251 1.00 73.44 H new ATOM 0 HG3 MET A 74 -10.071 -0.054 -1.977 1.00 73.44 H new ATOM 0 HE1 MET A 74 -10.393 -3.011 -4.129 1.00 33.42 H new ATOM 0 HE2 MET A 74 -9.356 -1.607 -3.781 1.00 33.42 H new ATOM 0 HE3 MET A 74 -10.025 -2.573 -2.444 1.00 33.42 H new ATOM 1206 N LYS A 75 -9.094 0.681 -0.093 1.00 43.22 N ATOM 1207 CA LYS A 75 -8.114 -0.099 0.653 1.00 11.13 C ATOM 1208 C LYS A 75 -7.923 0.471 2.056 1.00 34.24 C ATOM 1209 O LYS A 75 -7.978 -0.262 3.040 1.00 0.42 O ATOM 1210 CB LYS A 75 -6.777 -0.144 -0.094 1.00 21.23 C ATOM 1211 CG LYS A 75 -6.766 -1.119 -1.262 1.00 33.24 C ATOM 1212 CD LYS A 75 -5.600 -0.855 -2.197 1.00 73.14 C ATOM 1213 CE LYS A 75 -5.517 -1.893 -3.303 1.00 75.45 C ATOM 1214 NZ LYS A 75 -4.979 -3.199 -2.830 1.00 64.13 N ATOM 0 H LYS A 75 -8.750 1.065 -0.973 1.00 43.22 H new ATOM 0 HA LYS A 75 -8.491 -1.117 0.746 1.00 11.13 H new ATOM 0 HB2 LYS A 75 -6.542 0.855 -0.463 1.00 21.23 H new ATOM 0 HB3 LYS A 75 -5.988 -0.419 0.606 1.00 21.23 H new ATOM 0 HG2 LYS A 75 -6.707 -2.140 -0.884 1.00 33.24 H new ATOM 0 HG3 LYS A 75 -7.702 -1.037 -1.814 1.00 33.24 H new ATOM 0 HD2 LYS A 75 -5.704 0.137 -2.637 1.00 73.14 H new ATOM 0 HD3 LYS A 75 -4.670 -0.855 -1.628 1.00 73.14 H new ATOM 0 HE2 LYS A 75 -6.510 -2.046 -3.726 1.00 75.45 H new ATOM 0 HE3 LYS A 75 -4.884 -1.513 -4.105 1.00 75.45 H new ATOM 0 HZ1 LYS A 75 -4.849 -3.835 -3.642 1.00 64.13 H new ATOM 0 HZ2 LYS A 75 -4.064 -3.047 -2.359 1.00 64.13 H new ATOM 0 HZ3 LYS A 75 -5.648 -3.627 -2.158 1.00 64.13 H new ATOM 1228 N GLN A 76 -7.745 1.787 2.142 1.00 75.11 N ATOM 1229 CA GLN A 76 -7.528 2.458 3.426 1.00 70.41 C ATOM 1230 C GLN A 76 -8.774 2.406 4.312 1.00 54.13 C ATOM 1231 O GLN A 76 -8.694 2.664 5.515 1.00 11.41 O ATOM 1232 CB GLN A 76 -7.105 3.912 3.202 1.00 70.33 C ATOM 1233 CG GLN A 76 -5.733 4.054 2.562 1.00 3.41 C ATOM 1234 CD GLN A 76 -4.620 3.477 3.418 1.00 73.13 C ATOM 1235 OE1 GLN A 76 -4.697 3.469 4.647 1.00 62.13 O ATOM 1236 NE2 GLN A 76 -3.570 2.996 2.772 1.00 14.23 N ATOM 0 H GLN A 76 -7.746 2.413 1.337 1.00 75.11 H new ATOM 0 HA GLN A 76 -6.729 1.925 3.942 1.00 70.41 H new ATOM 0 HB2 GLN A 76 -7.844 4.404 2.570 1.00 70.33 H new ATOM 0 HB3 GLN A 76 -7.106 4.434 4.159 1.00 70.33 H new ATOM 0 HG2 GLN A 76 -5.736 3.554 1.593 1.00 3.41 H new ATOM 0 HG3 GLN A 76 -5.532 5.109 2.376 1.00 3.41 H new ATOM 0 HE21 GLN A 76 -3.543 3.020 1.753 1.00 14.23 H new ATOM 0 HE22 GLN A 76 -2.787 2.601 3.293 1.00 14.23 H new ATOM 1245 N ARG A 77 -9.921 2.079 3.723 1.00 52.33 N ATOM 1246 CA ARG A 77 -11.148 1.936 4.494 1.00 72.34 C ATOM 1247 C ARG A 77 -11.043 0.727 5.413 1.00 2.13 C ATOM 1248 O ARG A 77 -11.050 0.868 6.634 1.00 44.01 O ATOM 1249 CB ARG A 77 -12.370 1.770 3.588 1.00 4.12 C ATOM 1250 CG ARG A 77 -12.598 2.910 2.608 1.00 45.34 C ATOM 1251 CD ARG A 77 -12.880 4.228 3.308 1.00 52.01 C ATOM 1252 NE ARG A 77 -13.352 5.242 2.365 1.00 61.10 N ATOM 1253 CZ ARG A 77 -13.760 6.459 2.719 1.00 41.14 C ATOM 1254 NH1 ARG A 77 -13.709 6.839 3.990 1.00 5.22 N ATOM 1255 NH2 ARG A 77 -14.213 7.301 1.796 1.00 54.24 N ATOM 0 H ARG A 77 -10.025 1.910 2.722 1.00 52.33 H new ATOM 0 HA ARG A 77 -11.276 2.846 5.080 1.00 72.34 H new ATOM 0 HB2 ARG A 77 -12.264 0.842 3.026 1.00 4.12 H new ATOM 0 HB3 ARG A 77 -13.257 1.665 4.213 1.00 4.12 H new ATOM 0 HG2 ARG A 77 -11.719 3.020 1.972 1.00 45.34 H new ATOM 0 HG3 ARG A 77 -13.435 2.662 1.955 1.00 45.34 H new ATOM 0 HD2 ARG A 77 -13.628 4.076 4.086 1.00 52.01 H new ATOM 0 HD3 ARG A 77 -11.974 4.581 3.801 1.00 52.01 H new ATOM 0 HE ARG A 77 -13.370 5.002 1.374 1.00 61.10 H new ATOM 0 HH11 ARG A 77 -13.356 6.198 4.700 1.00 5.22 H new ATOM 0 HH12 ARG A 77 -14.023 7.772 4.256 1.00 5.22 H new ATOM 0 HH21 ARG A 77 -14.248 7.015 0.818 1.00 54.24 H new ATOM 0 HH22 ARG A 77 -14.526 8.234 2.066 1.00 54.24 H new ATOM 1269 N LEU A 78 -10.926 -0.466 4.825 1.00 74.11 N ATOM 1270 CA LEU A 78 -10.833 -1.685 5.629 1.00 70.42 C ATOM 1271 C LEU A 78 -9.506 -1.731 6.366 1.00 61.24 C ATOM 1272 O LEU A 78 -9.420 -2.287 7.458 1.00 63.44 O ATOM 1273 CB LEU A 78 -10.963 -2.967 4.800 1.00 52.33 C ATOM 1274 CG LEU A 78 -11.746 -2.869 3.493 1.00 65.00 C ATOM 1275 CD1 LEU A 78 -10.821 -2.524 2.333 1.00 4.34 C ATOM 1276 CD2 LEU A 78 -12.456 -4.177 3.218 1.00 72.23 C ATOM 0 H LEU A 78 -10.894 -0.613 3.816 1.00 74.11 H new ATOM 0 HA LEU A 78 -11.669 -1.646 6.327 1.00 70.42 H new ATOM 0 HB2 LEU A 78 -9.960 -3.324 4.568 1.00 52.33 H new ATOM 0 HB3 LEU A 78 -11.436 -3.727 5.422 1.00 52.33 H new ATOM 0 HG LEU A 78 -12.484 -2.073 3.592 1.00 65.00 H new ATOM 0 HD11 LEU A 78 -11.401 -2.459 1.412 1.00 4.34 H new ATOM 0 HD12 LEU A 78 -10.338 -1.566 2.525 1.00 4.34 H new ATOM 0 HD13 LEU A 78 -10.062 -3.299 2.230 1.00 4.34 H new ATOM 0 HD21 LEU A 78 -13.013 -4.100 2.284 1.00 72.23 H new ATOM 0 HD22 LEU A 78 -11.723 -4.979 3.138 1.00 72.23 H new ATOM 0 HD23 LEU A 78 -13.145 -4.396 4.034 1.00 72.23 H new ATOM 1288 N LEU A 79 -8.474 -1.155 5.754 1.00 61.40 N ATOM 1289 CA LEU A 79 -7.140 -1.118 6.346 1.00 21.34 C ATOM 1290 C LEU A 79 -7.214 -0.568 7.764 1.00 72.34 C ATOM 1291 O LEU A 79 -6.723 -1.180 8.709 1.00 23.40 O ATOM 1292 CB LEU A 79 -6.210 -0.265 5.462 1.00 72.52 C ATOM 1293 CG LEU A 79 -4.724 -0.214 5.850 1.00 63.12 C ATOM 1294 CD1 LEU A 79 -4.476 0.818 6.936 1.00 3.53 C ATOM 1295 CD2 LEU A 79 -4.233 -1.584 6.291 1.00 14.42 C ATOM 0 H LEU A 79 -8.538 -0.704 4.841 1.00 61.40 H new ATOM 0 HA LEU A 79 -6.733 -2.128 6.401 1.00 21.34 H new ATOM 0 HB2 LEU A 79 -6.280 -0.638 4.440 1.00 72.52 H new ATOM 0 HB3 LEU A 79 -6.593 0.756 5.456 1.00 72.52 H new ATOM 0 HG LEU A 79 -4.160 0.085 4.967 1.00 63.12 H new ATOM 0 HD11 LEU A 79 -3.416 0.831 7.190 1.00 3.53 H new ATOM 0 HD12 LEU A 79 -4.776 1.803 6.577 1.00 3.53 H new ATOM 0 HD13 LEU A 79 -5.058 0.562 7.821 1.00 3.53 H new ATOM 0 HD21 LEU A 79 -3.179 -1.523 6.561 1.00 14.42 H new ATOM 0 HD22 LEU A 79 -4.810 -1.917 7.154 1.00 14.42 H new ATOM 0 HD23 LEU A 79 -4.358 -2.295 5.475 1.00 14.42 H new ATOM 1307 N LYS A 80 -7.870 0.568 7.910 1.00 62.21 N ATOM 1308 CA LYS A 80 -8.020 1.193 9.212 1.00 75.25 C ATOM 1309 C LYS A 80 -8.926 0.370 10.117 1.00 13.31 C ATOM 1310 O LYS A 80 -8.761 0.369 11.336 1.00 43.23 O ATOM 1311 CB LYS A 80 -8.565 2.612 9.065 1.00 75.14 C ATOM 1312 CG LYS A 80 -7.493 3.679 9.195 1.00 32.52 C ATOM 1313 CD LYS A 80 -6.879 3.669 10.588 1.00 25.51 C ATOM 1314 CE LYS A 80 -7.928 3.936 11.660 1.00 2.04 C ATOM 1315 NZ LYS A 80 -8.486 5.311 11.557 1.00 61.20 N ATOM 0 H LYS A 80 -8.308 1.078 7.143 1.00 62.21 H new ATOM 0 HA LYS A 80 -7.034 1.242 9.675 1.00 75.25 H new ATOM 0 HB2 LYS A 80 -9.050 2.709 8.094 1.00 75.14 H new ATOM 0 HB3 LYS A 80 -9.331 2.781 9.822 1.00 75.14 H new ATOM 0 HG2 LYS A 80 -6.715 3.511 8.450 1.00 32.52 H new ATOM 0 HG3 LYS A 80 -7.924 4.659 8.991 1.00 32.52 H new ATOM 0 HD2 LYS A 80 -6.406 2.704 10.772 1.00 25.51 H new ATOM 0 HD3 LYS A 80 -6.096 4.424 10.647 1.00 25.51 H new ATOM 0 HE2 LYS A 80 -8.735 3.209 11.568 1.00 2.04 H new ATOM 0 HE3 LYS A 80 -7.484 3.797 12.646 1.00 2.04 H new ATOM 0 HZ1 LYS A 80 -9.093 5.502 12.380 1.00 61.20 H new ATOM 0 HZ2 LYS A 80 -7.708 6.001 11.534 1.00 61.20 H new ATOM 0 HZ3 LYS A 80 -9.048 5.393 10.686 1.00 61.20 H new ATOM 1329 N LEU A 81 -9.868 -0.340 9.516 1.00 42.50 N ATOM 1330 CA LEU A 81 -10.805 -1.157 10.265 1.00 33.34 C ATOM 1331 C LEU A 81 -10.126 -2.366 10.899 1.00 33.02 C ATOM 1332 O LEU A 81 -10.510 -2.784 11.979 1.00 33.14 O ATOM 1333 CB LEU A 81 -11.960 -1.591 9.359 1.00 11.24 C ATOM 1334 CG LEU A 81 -13.197 -0.691 9.411 1.00 1.41 C ATOM 1335 CD1 LEU A 81 -12.824 0.775 9.329 1.00 1.24 C ATOM 1336 CD2 LEU A 81 -14.161 -1.038 8.293 1.00 23.01 C ATOM 0 H LEU A 81 -10.003 -0.365 8.505 1.00 42.50 H new ATOM 0 HA LEU A 81 -11.201 -0.552 11.080 1.00 33.34 H new ATOM 0 HB2 LEU A 81 -11.600 -1.630 8.331 1.00 11.24 H new ATOM 0 HB3 LEU A 81 -12.255 -2.604 9.632 1.00 11.24 H new ATOM 0 HG LEU A 81 -13.684 -0.866 10.370 1.00 1.41 H new ATOM 0 HD11 LEU A 81 -13.728 1.383 9.369 1.00 1.24 H new ATOM 0 HD12 LEU A 81 -12.176 1.033 10.167 1.00 1.24 H new ATOM 0 HD13 LEU A 81 -12.300 0.965 8.392 1.00 1.24 H new ATOM 0 HD21 LEU A 81 -15.033 -0.386 8.349 1.00 23.01 H new ATOM 0 HD22 LEU A 81 -13.667 -0.901 7.331 1.00 23.01 H new ATOM 0 HD23 LEU A 81 -14.477 -2.076 8.394 1.00 23.01 H new ATOM 1348 N LEU A 82 -9.113 -2.919 10.243 1.00 61.22 N ATOM 1349 CA LEU A 82 -8.389 -4.056 10.807 1.00 22.22 C ATOM 1350 C LEU A 82 -7.250 -3.591 11.717 1.00 4.23 C ATOM 1351 O LEU A 82 -6.779 -4.345 12.570 1.00 72.42 O ATOM 1352 CB LEU A 82 -7.871 -4.982 9.703 1.00 14.52 C ATOM 1353 CG LEU A 82 -7.162 -4.297 8.539 1.00 0.51 C ATOM 1354 CD1 LEU A 82 -5.652 -4.412 8.659 1.00 34.34 C ATOM 1355 CD2 LEU A 82 -7.639 -4.884 7.231 1.00 35.24 C ATOM 0 H LEU A 82 -8.776 -2.606 9.333 1.00 61.22 H new ATOM 0 HA LEU A 82 -9.089 -4.625 11.418 1.00 22.22 H new ATOM 0 HB2 LEU A 82 -7.184 -5.700 10.150 1.00 14.52 H new ATOM 0 HB3 LEU A 82 -8.713 -5.550 9.307 1.00 14.52 H new ATOM 0 HG LEU A 82 -7.410 -3.236 8.566 1.00 0.51 H new ATOM 0 HD11 LEU A 82 -5.181 -3.913 7.812 1.00 34.34 H new ATOM 0 HD12 LEU A 82 -5.324 -3.942 9.586 1.00 34.34 H new ATOM 0 HD13 LEU A 82 -5.367 -5.464 8.665 1.00 34.34 H new ATOM 0 HD21 LEU A 82 -7.129 -4.391 6.403 1.00 35.24 H new ATOM 0 HD22 LEU A 82 -7.418 -5.951 7.209 1.00 35.24 H new ATOM 0 HD23 LEU A 82 -8.714 -4.734 7.136 1.00 35.24 H new ATOM 1367 N GLU A 83 -6.815 -2.350 11.534 1.00 1.15 N ATOM 1368 CA GLU A 83 -5.821 -1.743 12.420 1.00 43.52 C ATOM 1369 C GLU A 83 -6.464 -1.367 13.753 1.00 42.43 C ATOM 1370 O GLU A 83 -5.946 -1.684 14.824 1.00 63.14 O ATOM 1371 CB GLU A 83 -5.225 -0.491 11.768 1.00 34.15 C ATOM 1372 CG GLU A 83 -4.374 -0.771 10.537 1.00 23.23 C ATOM 1373 CD GLU A 83 -2.988 -1.277 10.877 1.00 55.50 C ATOM 1374 OE1 GLU A 83 -2.175 -0.478 11.388 1.00 30.55 O ATOM 1375 OE2 GLU A 83 -2.686 -2.461 10.609 1.00 23.03 O ATOM 0 H GLU A 83 -7.134 -1.741 10.780 1.00 1.15 H new ATOM 0 HA GLU A 83 -5.026 -2.468 12.597 1.00 43.52 H new ATOM 0 HB2 GLU A 83 -6.037 0.181 11.489 1.00 34.15 H new ATOM 0 HB3 GLU A 83 -4.616 0.033 12.505 1.00 34.15 H new ATOM 0 HG2 GLU A 83 -4.880 -1.507 9.912 1.00 23.23 H new ATOM 0 HG3 GLU A 83 -4.287 0.142 9.947 1.00 23.23 H new ATOM 1382 N ASP A 84 -7.612 -0.706 13.665 1.00 51.34 N ATOM 1383 CA ASP A 84 -8.334 -0.220 14.839 1.00 42.25 C ATOM 1384 C ASP A 84 -9.286 -1.288 15.361 1.00 64.44 C ATOM 1385 O ASP A 84 -9.781 -1.201 16.485 1.00 4.13 O ATOM 1386 CB ASP A 84 -9.109 1.051 14.472 1.00 14.04 C ATOM 1387 CG ASP A 84 -9.967 1.587 15.603 1.00 14.14 C ATOM 1388 OD1 ASP A 84 -9.411 2.099 16.597 1.00 55.54 O ATOM 1389 OD2 ASP A 84 -11.208 1.524 15.486 1.00 13.01 O ATOM 0 H ASP A 84 -8.070 -0.491 12.779 1.00 51.34 H new ATOM 0 HA ASP A 84 -7.617 0.011 15.627 1.00 42.25 H new ATOM 0 HB2 ASP A 84 -8.402 1.822 14.167 1.00 14.04 H new ATOM 0 HB3 ASP A 84 -9.745 0.843 13.612 1.00 14.04 H new ATOM 1394 N LYS A 85 -9.525 -2.299 14.529 1.00 70.24 N ATOM 1395 CA LYS A 85 -10.406 -3.414 14.871 1.00 71.41 C ATOM 1396 C LYS A 85 -11.851 -2.945 15.001 1.00 62.15 C ATOM 1397 O LYS A 85 -12.613 -3.442 15.835 1.00 24.42 O ATOM 1398 CB LYS A 85 -9.929 -4.111 16.148 1.00 30.43 C ATOM 1399 CG LYS A 85 -8.540 -4.711 16.007 1.00 33.40 C ATOM 1400 CD LYS A 85 -8.502 -5.794 14.935 1.00 4.11 C ATOM 1401 CE LYS A 85 -9.397 -6.972 15.288 1.00 33.22 C ATOM 1402 NZ LYS A 85 -8.911 -7.704 16.486 1.00 30.32 N ATOM 0 H LYS A 85 -9.113 -2.369 13.598 1.00 70.24 H new ATOM 0 HA LYS A 85 -10.367 -4.142 14.060 1.00 71.41 H new ATOM 0 HB2 LYS A 85 -9.929 -3.394 16.969 1.00 30.43 H new ATOM 0 HB3 LYS A 85 -10.635 -4.898 16.412 1.00 30.43 H new ATOM 0 HG2 LYS A 85 -7.827 -3.925 15.756 1.00 33.40 H new ATOM 0 HG3 LYS A 85 -8.227 -5.133 16.962 1.00 33.40 H new ATOM 0 HD2 LYS A 85 -8.817 -5.372 13.981 1.00 4.11 H new ATOM 0 HD3 LYS A 85 -7.477 -6.142 14.807 1.00 4.11 H new ATOM 0 HE2 LYS A 85 -10.411 -6.615 15.468 1.00 33.22 H new ATOM 0 HE3 LYS A 85 -9.446 -7.656 14.441 1.00 33.22 H new ATOM 0 HZ1 LYS A 85 -9.457 -8.582 16.601 1.00 30.32 H new ATOM 0 HZ2 LYS A 85 -7.904 -7.935 16.367 1.00 30.32 H new ATOM 0 HZ3 LYS A 85 -9.032 -7.108 17.330 1.00 30.32 H new ATOM 1416 N SER A 86 -12.223 -2.011 14.133 1.00 21.42 N ATOM 1417 CA SER A 86 -13.573 -1.484 14.096 1.00 51.20 C ATOM 1418 C SER A 86 -14.549 -2.564 13.632 1.00 54.51 C ATOM 1419 O SER A 86 -14.283 -3.275 12.659 1.00 72.32 O ATOM 1420 CB SER A 86 -13.622 -0.291 13.144 1.00 50.44 C ATOM 1421 OG SER A 86 -12.486 0.542 13.310 1.00 24.21 O ATOM 0 H SER A 86 -11.597 -1.602 13.440 1.00 21.42 H new ATOM 0 HA SER A 86 -13.862 -1.163 15.097 1.00 51.20 H new ATOM 0 HB2 SER A 86 -13.670 -0.645 12.114 1.00 50.44 H new ATOM 0 HB3 SER A 86 -14.529 0.286 13.325 1.00 50.44 H new ATOM 0 HG SER A 86 -12.332 0.698 14.265 1.00 24.21 H new ATOM 1427 N ASN A 87 -15.687 -2.667 14.306 1.00 11.15 N ATOM 1428 CA ASN A 87 -16.666 -3.715 14.007 1.00 21.54 C ATOM 1429 C ASN A 87 -17.333 -3.491 12.654 1.00 2.14 C ATOM 1430 O ASN A 87 -18.101 -4.329 12.193 1.00 3.23 O ATOM 1431 CB ASN A 87 -17.751 -3.789 15.085 1.00 0.54 C ATOM 1432 CG ASN A 87 -18.612 -2.540 15.141 1.00 12.42 C ATOM 1433 OD1 ASN A 87 -18.126 -1.420 14.988 1.00 50.44 O ATOM 1434 ND2 ASN A 87 -19.906 -2.726 15.329 1.00 44.24 N ATOM 0 H ASN A 87 -15.959 -2.040 15.064 1.00 11.15 H new ATOM 0 HA ASN A 87 -16.114 -4.655 13.983 1.00 21.54 H new ATOM 0 HB2 ASN A 87 -18.386 -4.654 14.896 1.00 0.54 H new ATOM 0 HB3 ASN A 87 -17.281 -3.945 16.056 1.00 0.54 H new ATOM 0 HD21 ASN A 87 -20.538 -1.926 15.351 1.00 44.24 H new ATOM 0 HD22 ASN A 87 -20.273 -3.670 15.452 1.00 44.24 H new ATOM 1441 N LEU A 88 -17.033 -2.364 12.025 1.00 55.21 N ATOM 1442 CA LEU A 88 -17.649 -2.013 10.750 1.00 55.21 C ATOM 1443 C LEU A 88 -17.348 -3.062 9.683 1.00 54.43 C ATOM 1444 O LEU A 88 -18.241 -3.467 8.940 1.00 53.24 O ATOM 1445 CB LEU A 88 -17.204 -0.623 10.280 1.00 0.24 C ATOM 1446 CG LEU A 88 -17.717 0.554 11.122 1.00 75.05 C ATOM 1447 CD1 LEU A 88 -19.182 0.358 11.483 1.00 31.44 C ATOM 1448 CD2 LEU A 88 -16.875 0.740 12.376 1.00 12.23 C ATOM 0 H LEU A 88 -16.367 -1.676 12.375 1.00 55.21 H new ATOM 0 HA LEU A 88 -18.727 -1.988 10.906 1.00 55.21 H new ATOM 0 HB2 LEU A 88 -16.114 -0.593 10.271 1.00 0.24 H new ATOM 0 HB3 LEU A 88 -17.535 -0.483 9.251 1.00 0.24 H new ATOM 0 HG LEU A 88 -17.629 1.459 10.521 1.00 75.05 H new ATOM 0 HD11 LEU A 88 -19.526 1.203 12.080 1.00 31.44 H new ATOM 0 HD12 LEU A 88 -19.776 0.292 10.571 1.00 31.44 H new ATOM 0 HD13 LEU A 88 -19.295 -0.562 12.057 1.00 31.44 H new ATOM 0 HD21 LEU A 88 -17.262 1.580 12.952 1.00 12.23 H new ATOM 0 HD22 LEU A 88 -16.918 -0.166 12.981 1.00 12.23 H new ATOM 0 HD23 LEU A 88 -15.841 0.939 12.094 1.00 12.23 H new ATOM 1460 N LEU A 89 -16.099 -3.513 9.609 1.00 32.33 N ATOM 1461 CA LEU A 89 -15.754 -4.590 8.689 1.00 60.32 C ATOM 1462 C LEU A 89 -15.800 -5.938 9.398 1.00 63.14 C ATOM 1463 O LEU A 89 -16.093 -6.971 8.797 1.00 41.51 O ATOM 1464 CB LEU A 89 -14.358 -4.370 8.094 1.00 71.23 C ATOM 1465 CG LEU A 89 -13.758 -5.581 7.384 1.00 40.22 C ATOM 1466 CD1 LEU A 89 -14.466 -5.849 6.066 1.00 33.34 C ATOM 1467 CD2 LEU A 89 -12.269 -5.376 7.180 1.00 70.23 C ATOM 0 H LEU A 89 -15.322 -3.156 10.165 1.00 32.33 H new ATOM 0 HA LEU A 89 -16.487 -4.587 7.882 1.00 60.32 H new ATOM 0 HB2 LEU A 89 -14.408 -3.542 7.387 1.00 71.23 H new ATOM 0 HB3 LEU A 89 -13.683 -4.066 8.894 1.00 71.23 H new ATOM 0 HG LEU A 89 -13.902 -6.461 8.012 1.00 40.22 H new ATOM 0 HD11 LEU A 89 -14.018 -6.717 5.582 1.00 33.34 H new ATOM 0 HD12 LEU A 89 -15.522 -6.043 6.253 1.00 33.34 H new ATOM 0 HD13 LEU A 89 -14.366 -4.980 5.416 1.00 33.34 H new ATOM 0 HD21 LEU A 89 -11.848 -6.244 6.673 1.00 70.23 H new ATOM 0 HD22 LEU A 89 -12.104 -4.486 6.573 1.00 70.23 H new ATOM 0 HD23 LEU A 89 -11.783 -5.250 8.148 1.00 70.23 H new ATOM 1479 N LEU A 90 -15.545 -5.903 10.689 1.00 50.02 N ATOM 1480 CA LEU A 90 -15.238 -7.104 11.445 1.00 14.40 C ATOM 1481 C LEU A 90 -16.398 -7.577 12.316 1.00 2.01 C ATOM 1482 O LEU A 90 -16.181 -8.298 13.288 1.00 30.20 O ATOM 1483 CB LEU A 90 -14.027 -6.805 12.318 1.00 54.34 C ATOM 1484 CG LEU A 90 -12.887 -6.101 11.586 1.00 3.44 C ATOM 1485 CD1 LEU A 90 -11.943 -5.460 12.573 1.00 54.44 C ATOM 1486 CD2 LEU A 90 -12.138 -7.068 10.692 1.00 72.12 C ATOM 0 H LEU A 90 -15.544 -5.047 11.244 1.00 50.02 H new ATOM 0 HA LEU A 90 -15.039 -7.911 10.740 1.00 14.40 H new ATOM 0 HB2 LEU A 90 -14.342 -6.185 13.158 1.00 54.34 H new ATOM 0 HB3 LEU A 90 -13.654 -7.740 12.735 1.00 54.34 H new ATOM 0 HG LEU A 90 -13.318 -5.322 10.958 1.00 3.44 H new ATOM 0 HD11 LEU A 90 -11.136 -4.963 12.035 1.00 54.44 H new ATOM 0 HD12 LEU A 90 -12.485 -4.728 13.172 1.00 54.44 H new ATOM 0 HD13 LEU A 90 -11.525 -6.226 13.227 1.00 54.44 H new ATOM 0 HD21 LEU A 90 -11.331 -6.542 10.182 1.00 72.12 H new ATOM 0 HD22 LEU A 90 -11.721 -7.874 11.296 1.00 72.12 H new ATOM 0 HD23 LEU A 90 -12.822 -7.486 9.954 1.00 72.12 H new ATOM 1498 N TYR A 91 -17.623 -7.194 11.978 1.00 41.32 N ATOM 1499 CA TYR A 91 -18.773 -7.644 12.749 1.00 21.23 C ATOM 1500 C TYR A 91 -19.003 -9.143 12.558 1.00 4.02 C ATOM 1501 O TYR A 91 -18.584 -9.732 11.550 1.00 53.03 O ATOM 1502 CB TYR A 91 -20.039 -6.856 12.389 1.00 30.34 C ATOM 1503 CG TYR A 91 -20.528 -7.048 10.973 1.00 21.31 C ATOM 1504 CD1 TYR A 91 -21.196 -8.208 10.596 1.00 11.32 C ATOM 1505 CD2 TYR A 91 -20.336 -6.059 10.020 1.00 51.20 C ATOM 1506 CE1 TYR A 91 -21.652 -8.378 9.309 1.00 21.43 C ATOM 1507 CE2 TYR A 91 -20.792 -6.219 8.728 1.00 44.35 C ATOM 1508 CZ TYR A 91 -21.452 -7.378 8.376 1.00 55.53 C ATOM 1509 OH TYR A 91 -21.902 -7.544 7.087 1.00 70.02 O ATOM 0 H TYR A 91 -17.843 -6.584 11.190 1.00 41.32 H new ATOM 0 HA TYR A 91 -18.553 -7.457 13.800 1.00 21.23 H new ATOM 0 HB2 TYR A 91 -20.836 -7.144 13.075 1.00 30.34 H new ATOM 0 HB3 TYR A 91 -19.847 -5.795 12.551 1.00 30.34 H new ATOM 0 HD1 TYR A 91 -21.359 -8.988 11.325 1.00 11.32 H new ATOM 0 HD2 TYR A 91 -19.822 -5.150 10.294 1.00 51.20 H new ATOM 0 HE1 TYR A 91 -22.163 -9.287 9.029 1.00 21.43 H new ATOM 0 HE2 TYR A 91 -20.633 -5.441 7.996 1.00 44.35 H new ATOM 0 HH TYR A 91 -21.682 -6.748 6.559 1.00 70.02 H new ATOM 1519 N SER A 92 -19.691 -9.746 13.516 1.00 63.31 N ATOM 1520 CA SER A 92 -19.917 -11.178 13.510 1.00 61.22 C ATOM 1521 C SER A 92 -21.194 -11.530 12.752 1.00 13.34 C ATOM 1522 O SER A 92 -22.236 -10.897 12.926 1.00 22.12 O ATOM 1523 CB SER A 92 -19.991 -11.703 14.944 1.00 45.35 C ATOM 1524 OG SER A 92 -18.824 -11.353 15.670 1.00 73.23 O ATOM 0 H SER A 92 -20.104 -9.259 14.311 1.00 63.31 H new ATOM 0 HA SER A 92 -19.080 -11.653 12.999 1.00 61.22 H new ATOM 0 HB2 SER A 92 -20.870 -11.293 15.441 1.00 45.35 H new ATOM 0 HB3 SER A 92 -20.107 -12.787 14.934 1.00 45.35 H new ATOM 0 HG SER A 92 -18.893 -11.697 16.585 1.00 73.23 H new ATOM 1530 N CYS A 93 -21.091 -12.536 11.905 1.00 13.53 N ATOM 1531 CA CYS A 93 -22.220 -13.021 11.127 1.00 25.41 C ATOM 1532 C CYS A 93 -22.348 -14.523 11.308 1.00 53.13 C ATOM 1533 O CYS A 93 -21.555 -15.128 12.027 1.00 14.33 O ATOM 1534 CB CYS A 93 -22.002 -12.722 9.659 1.00 15.24 C ATOM 1535 SG CYS A 93 -20.773 -13.811 8.884 1.00 52.43 S ATOM 0 H CYS A 93 -20.222 -13.042 11.735 1.00 13.53 H new ATOM 0 HA CYS A 93 -23.127 -12.524 11.469 1.00 25.41 H new ATOM 0 HB2 CYS A 93 -22.950 -12.820 9.130 1.00 15.24 H new ATOM 0 HB3 CYS A 93 -21.681 -11.686 9.549 1.00 15.24 H new ATOM 0 HG CYS A 93 -21.285 -14.355 7.820 1.00 52.43 H new ATOM 1540 N ASN A 94 -23.320 -15.130 10.643 1.00 73.54 N ATOM 1541 CA ASN A 94 -23.464 -16.575 10.692 1.00 51.32 C ATOM 1542 C ASN A 94 -23.491 -17.161 9.286 1.00 51.24 C ATOM 1543 O ASN A 94 -24.546 -17.538 8.776 1.00 35.23 O ATOM 1544 CB ASN A 94 -24.729 -16.972 11.457 1.00 63.23 C ATOM 1545 CG ASN A 94 -24.751 -18.448 11.808 1.00 54.30 C ATOM 1546 OD1 ASN A 94 -25.242 -19.277 11.041 1.00 4.34 O ATOM 1547 ND2 ASN A 94 -24.212 -18.785 12.968 1.00 72.13 N ATOM 0 H ASN A 94 -24.013 -14.650 10.069 1.00 73.54 H new ATOM 0 HA ASN A 94 -22.602 -16.981 11.221 1.00 51.32 H new ATOM 0 HB2 ASN A 94 -24.798 -16.382 12.371 1.00 63.23 H new ATOM 0 HB3 ASN A 94 -25.605 -16.731 10.855 1.00 63.23 H new ATOM 0 HD21 ASN A 94 -24.192 -19.763 13.256 1.00 72.13 H new ATOM 0 HD22 ASN A 94 -23.816 -18.067 13.574 1.00 72.13 H new ATOM 1554 N CYS A 95 -22.339 -17.173 8.628 1.00 53.21 N ATOM 1555 CA CYS A 95 -22.224 -17.845 7.339 1.00 24.31 C ATOM 1556 C CYS A 95 -22.047 -19.342 7.540 1.00 0.43 C ATOM 1557 O CYS A 95 -22.768 -20.149 6.958 1.00 20.42 O ATOM 1558 CB CYS A 95 -21.075 -17.275 6.517 1.00 63.11 C ATOM 1559 SG CYS A 95 -21.510 -15.742 5.646 1.00 32.51 S ATOM 0 H CYS A 95 -21.481 -16.732 8.959 1.00 53.21 H new ATOM 0 HA CYS A 95 -23.146 -17.671 6.784 1.00 24.31 H new ATOM 0 HB2 CYS A 95 -20.227 -17.084 7.174 1.00 63.11 H new ATOM 0 HB3 CYS A 95 -20.753 -18.020 5.789 1.00 63.11 H new ATOM 0 HG CYS A 95 -21.099 -15.811 4.415 1.00 32.51 H new