USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 683 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 60 SER OG : rot 180:sc= 0.102 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -0.238 K(o=-0.24,f=-2.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0776 K(o=-0.078,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.067 X(o=-0.067,f=-0.067) USER MOD Single : A 22 HIS : no HE2:sc= -5.54! C(o=-5.5!,f=-8.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00785 X(o=-0.0078,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.8!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.871 K(o=-0.87,f=-5.7!) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= -0.726 (180deg=-1.09) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -125:sc=-0.00136 (180deg=-1.88!) USER MOD Single : A 64 MET CE :methyl 173:sc= -0.206 (180deg=-0.317) USER MOD Single : A 66 THR OG1 : rot -150:sc= -1.5 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 77 CYS SG : rot 180:sc= -0.468 USER MOD Single : A 80 MET CE :methyl -174:sc= 0 (180deg=-0.0318) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.725 X(o=-0.73,f=-0.42) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.545 17.255 28.175 1.00 0.00 N ATOM 2 CA GLY A 1 5.951 15.865 28.274 1.00 0.00 C ATOM 3 C GLY A 1 7.255 15.589 27.552 1.00 0.00 C ATOM 4 O GLY A 1 8.319 15.552 28.170 1.00 0.00 O ATOM 0 H1 GLY A 1 4.649 17.392 28.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.278 17.862 28.595 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.417 17.509 27.175 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.057 15.595 29.325 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.168 15.231 27.859 1.00 0.00 H new ATOM 8 N SER A 2 7.173 15.392 26.240 1.00 0.00 N ATOM 9 CA SER A 2 8.355 15.112 25.434 1.00 0.00 C ATOM 10 C SER A 2 8.365 15.965 24.168 1.00 0.00 C ATOM 11 O SER A 2 7.334 16.146 23.521 1.00 0.00 O ATOM 12 CB SER A 2 8.407 13.629 25.063 1.00 0.00 C ATOM 13 OG SER A 2 7.422 13.311 24.095 1.00 0.00 O ATOM 0 H SER A 2 6.300 15.421 25.713 1.00 0.00 H new ATOM 0 HA SER A 2 9.235 15.362 26.027 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.395 13.382 24.675 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.254 13.022 25.955 1.00 0.00 H new ATOM 0 HG SER A 2 7.477 12.358 23.873 1.00 0.00 H new ATOM 19 N SER A 3 9.537 16.486 23.822 1.00 0.00 N ATOM 20 CA SER A 3 9.682 17.323 22.637 1.00 0.00 C ATOM 21 C SER A 3 10.168 16.501 21.447 1.00 0.00 C ATOM 22 O SER A 3 11.240 15.900 21.490 1.00 0.00 O ATOM 23 CB SER A 3 10.658 18.469 22.912 1.00 0.00 C ATOM 24 OG SER A 3 10.153 19.341 23.908 1.00 0.00 O ATOM 0 H SER A 3 10.401 16.343 24.346 1.00 0.00 H new ATOM 0 HA SER A 3 8.704 17.738 22.394 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.618 18.064 23.232 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.837 19.027 21.993 1.00 0.00 H new ATOM 0 HG SER A 3 10.796 20.064 24.067 1.00 0.00 H new ATOM 30 N GLY A 4 9.368 16.478 20.385 1.00 0.00 N ATOM 31 CA GLY A 4 9.732 15.727 19.198 1.00 0.00 C ATOM 32 C GLY A 4 8.600 14.852 18.696 1.00 0.00 C ATOM 33 O GLY A 4 7.998 14.103 19.464 1.00 0.00 O ATOM 0 H GLY A 4 8.474 16.966 20.326 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.029 16.420 18.410 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.599 15.104 19.418 1.00 0.00 H new ATOM 37 N SER A 5 8.309 14.949 17.403 1.00 0.00 N ATOM 38 CA SER A 5 7.238 14.164 16.800 1.00 0.00 C ATOM 39 C SER A 5 7.581 13.792 15.360 1.00 0.00 C ATOM 40 O SER A 5 8.387 14.458 14.711 1.00 0.00 O ATOM 41 CB SER A 5 5.922 14.943 16.838 1.00 0.00 C ATOM 42 OG SER A 5 5.894 15.945 15.836 1.00 0.00 O ATOM 0 H SER A 5 8.800 15.563 16.753 1.00 0.00 H new ATOM 0 HA SER A 5 7.125 13.246 17.377 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.086 14.258 16.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.795 15.401 17.819 1.00 0.00 H new ATOM 0 HG SER A 5 5.042 16.428 15.880 1.00 0.00 H new ATOM 48 N SER A 6 6.963 12.724 14.868 1.00 0.00 N ATOM 49 CA SER A 6 7.204 12.260 13.507 1.00 0.00 C ATOM 50 C SER A 6 6.097 11.314 13.051 1.00 0.00 C ATOM 51 O SER A 6 5.345 10.781 13.866 1.00 0.00 O ATOM 52 CB SER A 6 8.560 11.556 13.419 1.00 0.00 C ATOM 53 OG SER A 6 8.640 10.486 14.345 1.00 0.00 O ATOM 0 H SER A 6 6.291 12.163 15.392 1.00 0.00 H new ATOM 0 HA SER A 6 7.209 13.129 12.849 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.712 11.178 12.408 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.358 12.272 13.616 1.00 0.00 H new ATOM 0 HG SER A 6 9.515 10.051 14.268 1.00 0.00 H new ATOM 59 N GLY A 7 6.003 11.112 11.740 1.00 0.00 N ATOM 60 CA GLY A 7 4.986 10.232 11.196 1.00 0.00 C ATOM 61 C GLY A 7 3.607 10.862 11.209 1.00 0.00 C ATOM 62 O GLY A 7 3.469 12.067 11.419 1.00 0.00 O ATOM 0 H GLY A 7 6.613 11.542 11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.250 9.965 10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.965 9.307 11.772 1.00 0.00 H new ATOM 66 N LEU A 8 2.584 10.046 10.981 1.00 0.00 N ATOM 67 CA LEU A 8 1.208 10.531 10.965 1.00 0.00 C ATOM 68 C LEU A 8 0.272 9.537 11.648 1.00 0.00 C ATOM 69 O LEU A 8 0.536 8.335 11.671 1.00 0.00 O ATOM 70 CB LEU A 8 0.749 10.775 9.527 1.00 0.00 C ATOM 71 CG LEU A 8 0.858 9.583 8.576 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.221 9.653 7.506 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.239 9.532 7.940 1.00 0.00 C ATOM 0 H LEU A 8 2.681 9.046 10.805 1.00 0.00 H new ATOM 0 HA LEU A 8 1.174 11.471 11.515 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.290 11.102 9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.334 11.598 9.115 1.00 0.00 H new ATOM 0 HG LEU A 8 0.711 8.669 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.128 8.796 6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.203 9.639 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.106 10.573 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.298 8.677 7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.415 10.449 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.995 9.433 8.719 1.00 0.00 H new ATOM 85 N THR A 9 -0.823 10.048 12.201 1.00 0.00 N ATOM 86 CA THR A 9 -1.799 9.207 12.882 1.00 0.00 C ATOM 87 C THR A 9 -3.043 9.004 12.026 1.00 0.00 C ATOM 88 O THR A 9 -3.929 9.858 11.988 1.00 0.00 O ATOM 89 CB THR A 9 -2.214 9.812 14.237 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.068 9.951 15.083 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.255 8.940 14.923 1.00 0.00 C ATOM 0 H THR A 9 -1.056 11.041 12.191 1.00 0.00 H new ATOM 0 HA THR A 9 -1.320 8.243 13.055 1.00 0.00 H new ATOM 0 HB THR A 9 -2.650 10.794 14.053 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.340 10.338 15.941 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.532 9.387 15.878 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.138 8.861 14.289 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.841 7.946 15.095 1.00 0.00 H new ATOM 99 N VAL A 10 -3.105 7.866 11.341 1.00 0.00 N ATOM 100 CA VAL A 10 -4.244 7.550 10.486 1.00 0.00 C ATOM 101 C VAL A 10 -4.892 6.234 10.899 1.00 0.00 C ATOM 102 O VAL A 10 -4.205 5.271 11.242 1.00 0.00 O ATOM 103 CB VAL A 10 -3.827 7.462 9.006 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.554 6.641 8.857 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.952 6.872 8.170 1.00 0.00 C ATOM 0 H VAL A 10 -2.381 7.148 11.361 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.964 8.360 10.605 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.625 8.470 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.275 6.590 7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.750 7.111 9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.724 5.633 9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.640 6.817 7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.187 5.871 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.836 7.504 8.252 1.00 0.00 H new ATOM 115 N THR A 11 -6.221 6.198 10.864 1.00 0.00 N ATOM 116 CA THR A 11 -6.963 5.000 11.235 1.00 0.00 C ATOM 117 C THR A 11 -7.203 4.105 10.025 1.00 0.00 C ATOM 118 O THR A 11 -7.507 4.587 8.934 1.00 0.00 O ATOM 119 CB THR A 11 -8.319 5.355 11.873 1.00 0.00 C ATOM 120 OG1 THR A 11 -8.112 6.067 13.099 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.136 4.100 12.142 1.00 0.00 C ATOM 0 H THR A 11 -6.805 6.985 10.582 1.00 0.00 H new ATOM 0 HA THR A 11 -6.355 4.465 11.964 1.00 0.00 H new ATOM 0 HB THR A 11 -8.870 5.985 11.175 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.979 6.291 13.498 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.089 4.376 12.593 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.317 3.575 11.204 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.588 3.448 12.823 1.00 0.00 H new ATOM 129 N VAL A 12 -7.065 2.798 10.224 1.00 0.00 N ATOM 130 CA VAL A 12 -7.268 1.835 9.149 1.00 0.00 C ATOM 131 C VAL A 12 -8.509 0.985 9.400 1.00 0.00 C ATOM 132 O VAL A 12 -8.566 0.218 10.362 1.00 0.00 O ATOM 133 CB VAL A 12 -6.049 0.908 8.987 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.407 -0.303 8.139 1.00 0.00 C ATOM 135 CG2 VAL A 12 -4.879 1.668 8.380 1.00 0.00 C ATOM 0 H VAL A 12 -6.813 2.382 11.121 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.403 2.409 8.232 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.750 0.554 9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.533 -0.946 8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.212 -0.859 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.733 0.027 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.026 0.998 8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.164 2.053 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.608 2.499 9.031 1.00 0.00 H new ATOM 145 N THR A 13 -9.503 1.126 8.528 1.00 0.00 N ATOM 146 CA THR A 13 -10.743 0.372 8.655 1.00 0.00 C ATOM 147 C THR A 13 -10.589 -1.039 8.098 1.00 0.00 C ATOM 148 O THR A 13 -10.345 -1.223 6.906 1.00 0.00 O ATOM 149 CB THR A 13 -11.905 1.075 7.927 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.018 2.429 8.379 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.216 0.343 8.168 1.00 0.00 C ATOM 0 H THR A 13 -9.473 1.756 7.726 1.00 0.00 H new ATOM 0 HA THR A 13 -10.971 0.316 9.719 1.00 0.00 H new ATOM 0 HB THR A 13 -11.694 1.066 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.757 2.870 7.911 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.022 0.858 7.644 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.136 -0.679 7.796 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.431 0.325 9.236 1.00 0.00 H new ATOM 159 N HIS A 14 -10.734 -2.033 8.969 1.00 0.00 N ATOM 160 CA HIS A 14 -10.612 -3.428 8.563 1.00 0.00 C ATOM 161 C HIS A 14 -11.577 -4.310 9.350 1.00 0.00 C ATOM 162 O HIS A 14 -11.950 -3.986 10.478 1.00 0.00 O ATOM 163 CB HIS A 14 -9.177 -3.917 8.765 1.00 0.00 C ATOM 164 CG HIS A 14 -8.905 -5.250 8.140 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.865 -6.425 8.861 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.660 -5.592 6.854 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.606 -7.431 8.046 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.478 -6.953 6.821 1.00 0.00 N ATOM 0 H HIS A 14 -10.936 -1.898 9.960 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.866 -3.495 7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.489 -3.182 8.347 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.969 -3.977 9.833 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.013 -6.504 9.867 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.616 -4.920 6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.514 -8.468 8.332 1.00 0.00 H new ATOM 177 N SER A 15 -11.979 -5.424 8.747 1.00 0.00 N ATOM 178 CA SER A 15 -12.905 -6.350 9.390 1.00 0.00 C ATOM 179 C SER A 15 -14.084 -5.601 10.003 1.00 0.00 C ATOM 180 O SER A 15 -14.397 -5.770 11.180 1.00 0.00 O ATOM 181 CB SER A 15 -12.183 -7.158 10.470 1.00 0.00 C ATOM 182 OG SER A 15 -12.797 -8.421 10.657 1.00 0.00 O ATOM 0 H SER A 15 -11.678 -5.708 7.814 1.00 0.00 H new ATOM 0 HA SER A 15 -13.286 -7.032 8.629 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.139 -7.296 10.189 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.190 -6.604 11.409 1.00 0.00 H new ATOM 0 HG SER A 15 -12.316 -8.919 11.351 1.00 0.00 H new ATOM 188 N ASN A 16 -14.735 -4.771 9.193 1.00 0.00 N ATOM 189 CA ASN A 16 -15.880 -3.995 9.654 1.00 0.00 C ATOM 190 C ASN A 16 -15.542 -3.234 10.933 1.00 0.00 C ATOM 191 O ASN A 16 -16.423 -2.933 11.738 1.00 0.00 O ATOM 192 CB ASN A 16 -17.081 -4.912 9.896 1.00 0.00 C ATOM 193 CG ASN A 16 -17.829 -5.235 8.616 1.00 0.00 C ATOM 194 OD1 ASN A 16 -17.591 -4.624 7.574 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.739 -6.199 8.690 1.00 0.00 N ATOM 0 H ASN A 16 -14.489 -4.619 8.215 1.00 0.00 H new ATOM 0 HA ASN A 16 -16.133 -3.273 8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.740 -5.838 10.358 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.762 -4.436 10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.274 -6.460 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.903 -6.679 9.575 1.00 0.00 H new ATOM 202 N GLU A 17 -14.262 -2.926 11.111 1.00 0.00 N ATOM 203 CA GLU A 17 -13.808 -2.200 12.291 1.00 0.00 C ATOM 204 C GLU A 17 -12.727 -1.187 11.925 1.00 0.00 C ATOM 205 O GLU A 17 -12.344 -1.063 10.761 1.00 0.00 O ATOM 206 CB GLU A 17 -13.273 -3.175 13.342 1.00 0.00 C ATOM 207 CG GLU A 17 -14.306 -4.182 13.820 1.00 0.00 C ATOM 208 CD GLU A 17 -15.107 -3.679 15.004 1.00 0.00 C ATOM 209 OE1 GLU A 17 -15.470 -2.484 15.011 1.00 0.00 O ATOM 210 OE2 GLU A 17 -15.372 -4.481 15.924 1.00 0.00 O ATOM 0 H GLU A 17 -13.521 -3.168 10.453 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.661 -1.662 12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.420 -3.712 12.927 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.907 -2.608 14.198 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.985 -4.417 13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.804 -5.110 14.094 1.00 0.00 H new ATOM 217 N LYS A 18 -12.240 -0.463 12.927 1.00 0.00 N ATOM 218 CA LYS A 18 -11.203 0.540 12.713 1.00 0.00 C ATOM 219 C LYS A 18 -10.049 0.347 13.691 1.00 0.00 C ATOM 220 O LYS A 18 -10.253 -0.070 14.832 1.00 0.00 O ATOM 221 CB LYS A 18 -11.786 1.947 12.866 1.00 0.00 C ATOM 222 CG LYS A 18 -12.942 2.022 13.849 1.00 0.00 C ATOM 223 CD LYS A 18 -13.013 3.382 14.522 1.00 0.00 C ATOM 224 CE LYS A 18 -13.833 4.368 13.704 1.00 0.00 C ATOM 225 NZ LYS A 18 -15.286 4.273 14.013 1.00 0.00 N ATOM 0 H LYS A 18 -12.547 -0.552 13.896 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.820 0.420 11.699 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.997 2.625 13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.125 2.299 11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.878 1.824 13.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.828 1.246 14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.453 3.276 15.513 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.005 3.773 14.661 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.485 5.382 13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.675 4.179 12.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.810 4.961 13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.624 3.313 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.441 4.479 15.021 1.00 0.00 H new ATOM 239 N HIS A 19 -8.838 0.654 13.239 1.00 0.00 N ATOM 240 CA HIS A 19 -7.651 0.516 14.076 1.00 0.00 C ATOM 241 C HIS A 19 -6.698 1.688 13.864 1.00 0.00 C ATOM 242 O HIS A 19 -6.259 1.949 12.744 1.00 0.00 O ATOM 243 CB HIS A 19 -6.936 -0.801 13.770 1.00 0.00 C ATOM 244 CG HIS A 19 -7.752 -2.015 14.090 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.995 -2.439 15.379 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.384 -2.896 13.280 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.740 -3.530 15.348 1.00 0.00 C ATOM 248 NE2 HIS A 19 -8.990 -3.828 14.086 1.00 0.00 N ATOM 0 H HIS A 19 -8.652 1.000 12.298 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.969 0.514 15.118 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.668 -0.822 12.714 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.005 -0.840 14.336 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.407 -2.871 12.201 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.086 -4.084 16.208 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.543 -4.621 13.763 1.00 0.00 H new ATOM 257 N ASP A 20 -6.382 2.390 14.947 1.00 0.00 N ATOM 258 CA ASP A 20 -5.480 3.534 14.880 1.00 0.00 C ATOM 259 C ASP A 20 -4.030 3.077 14.754 1.00 0.00 C ATOM 260 O ASP A 20 -3.533 2.320 15.589 1.00 0.00 O ATOM 261 CB ASP A 20 -5.645 4.414 16.120 1.00 0.00 C ATOM 262 CG ASP A 20 -7.086 4.495 16.585 1.00 0.00 C ATOM 263 OD1 ASP A 20 -7.619 3.467 17.051 1.00 0.00 O ATOM 264 OD2 ASP A 20 -7.681 5.589 16.482 1.00 0.00 O ATOM 0 H ASP A 20 -6.737 2.187 15.881 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.736 4.116 13.995 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.028 4.019 16.927 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.280 5.417 15.901 1.00 0.00 H new ATOM 269 N LEU A 21 -3.358 3.540 13.707 1.00 0.00 N ATOM 270 CA LEU A 21 -1.965 3.178 13.471 1.00 0.00 C ATOM 271 C LEU A 21 -1.115 4.419 13.218 1.00 0.00 C ATOM 272 O LEU A 21 -1.579 5.391 12.620 1.00 0.00 O ATOM 273 CB LEU A 21 -1.860 2.223 12.281 1.00 0.00 C ATOM 274 CG LEU A 21 -2.858 1.065 12.259 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.875 0.400 10.891 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.522 0.051 13.343 1.00 0.00 C ATOM 0 H LEU A 21 -3.755 4.167 13.007 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.589 2.679 14.364 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.984 2.801 11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.852 1.808 12.262 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.853 1.464 12.458 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.591 -0.422 10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.164 1.130 10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.882 0.014 10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.243 -0.766 13.313 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.520 -0.343 13.175 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.563 0.535 14.319 1.00 0.00 H new ATOM 288 N HIS A 22 0.133 4.379 13.675 1.00 0.00 N ATOM 289 CA HIS A 22 1.049 5.500 13.496 1.00 0.00 C ATOM 290 C HIS A 22 2.040 5.217 12.370 1.00 0.00 C ATOM 291 O HIS A 22 2.958 4.412 12.525 1.00 0.00 O ATOM 292 CB HIS A 22 1.803 5.782 14.795 1.00 0.00 C ATOM 293 CG HIS A 22 3.063 6.568 14.598 1.00 0.00 C ATOM 294 ND1 HIS A 22 4.218 6.330 15.314 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.346 7.591 13.759 1.00 0.00 C ATOM 296 CE1 HIS A 22 5.156 7.175 14.924 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.653 7.951 13.981 1.00 0.00 N ATOM 0 H HIS A 22 0.533 3.583 14.172 1.00 0.00 H new ATOM 0 HA HIS A 22 0.462 6.378 13.228 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.148 6.326 15.475 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.047 4.835 15.277 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.330 5.614 16.032 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.670 8.041 13.047 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.163 7.223 15.311 1.00 0.00 H new ATOM 306 N VAL A 23 1.846 5.884 11.237 1.00 0.00 N ATOM 307 CA VAL A 23 2.722 5.705 10.085 1.00 0.00 C ATOM 308 C VAL A 23 4.034 6.459 10.270 1.00 0.00 C ATOM 309 O VAL A 23 4.079 7.499 10.928 1.00 0.00 O ATOM 310 CB VAL A 23 2.047 6.183 8.786 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.793 5.654 7.570 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.588 5.753 8.755 1.00 0.00 C ATOM 0 H VAL A 23 1.090 6.553 11.092 1.00 0.00 H new ATOM 0 HA VAL A 23 2.927 4.637 10.007 1.00 0.00 H new ATOM 0 HB VAL A 23 2.082 7.272 8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.301 6.002 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.821 6.016 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.792 4.564 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.126 6.099 7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.528 4.666 8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.063 6.186 9.607 1.00 0.00 H new ATOM 322 N THR A 24 5.104 5.928 9.685 1.00 0.00 N ATOM 323 CA THR A 24 6.418 6.550 9.786 1.00 0.00 C ATOM 324 C THR A 24 7.286 6.198 8.583 1.00 0.00 C ATOM 325 O THR A 24 7.159 5.117 8.009 1.00 0.00 O ATOM 326 CB THR A 24 7.146 6.119 11.073 1.00 0.00 C ATOM 327 OG1 THR A 24 7.181 4.691 11.162 1.00 0.00 O ATOM 328 CG2 THR A 24 6.457 6.692 12.302 1.00 0.00 C ATOM 0 H THR A 24 5.086 5.068 9.136 1.00 0.00 H new ATOM 0 HA THR A 24 6.257 7.628 9.812 1.00 0.00 H new ATOM 0 HB THR A 24 8.165 6.505 11.034 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.647 4.426 11.982 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.989 6.374 13.199 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.459 7.781 12.246 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.429 6.333 12.343 1.00 0.00 H new ATOM 336 N SER A 25 8.168 7.119 8.206 1.00 0.00 N ATOM 337 CA SER A 25 9.055 6.907 7.069 1.00 0.00 C ATOM 338 C SER A 25 10.084 5.823 7.377 1.00 0.00 C ATOM 339 O SER A 25 10.045 5.200 8.437 1.00 0.00 O ATOM 340 CB SER A 25 9.766 8.211 6.700 1.00 0.00 C ATOM 341 OG SER A 25 10.849 8.467 7.577 1.00 0.00 O ATOM 0 H SER A 25 8.287 8.019 8.672 1.00 0.00 H new ATOM 0 HA SER A 25 8.450 6.579 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.130 8.153 5.674 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.058 9.039 6.740 1.00 0.00 H new ATOM 0 HG SER A 25 11.288 9.304 7.319 1.00 0.00 H new ATOM 347 N GLN A 26 11.002 5.605 6.441 1.00 0.00 N ATOM 348 CA GLN A 26 12.041 4.596 6.611 1.00 0.00 C ATOM 349 C GLN A 26 13.353 5.235 7.053 1.00 0.00 C ATOM 350 O GLN A 26 14.424 4.874 6.567 1.00 0.00 O ATOM 351 CB GLN A 26 12.250 3.823 5.308 1.00 0.00 C ATOM 352 CG GLN A 26 11.356 2.601 5.175 1.00 0.00 C ATOM 353 CD GLN A 26 11.400 1.993 3.787 1.00 0.00 C ATOM 354 OE1 GLN A 26 11.880 0.874 3.602 1.00 0.00 O ATOM 355 NE2 GLN A 26 10.899 2.729 2.802 1.00 0.00 N ATOM 0 H GLN A 26 11.048 6.113 5.558 1.00 0.00 H new ATOM 0 HA GLN A 26 11.716 3.903 7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.066 4.490 4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.292 3.509 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.661 1.852 5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.329 2.879 5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.511 3.651 3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.902 2.372 1.846 1.00 0.00 H new ATOM 364 N GLN A 27 13.261 6.186 7.977 1.00 0.00 N ATOM 365 CA GLN A 27 14.441 6.876 8.484 1.00 0.00 C ATOM 366 C GLN A 27 15.353 7.305 7.339 1.00 0.00 C ATOM 367 O GLN A 27 16.577 7.280 7.464 1.00 0.00 O ATOM 368 CB GLN A 27 15.209 5.974 9.452 1.00 0.00 C ATOM 369 CG GLN A 27 16.092 6.739 10.425 1.00 0.00 C ATOM 370 CD GLN A 27 15.298 7.417 11.524 1.00 0.00 C ATOM 371 OE1 GLN A 27 14.636 8.429 11.293 1.00 0.00 O ATOM 372 NE2 GLN A 27 15.361 6.863 12.729 1.00 0.00 N ATOM 0 H GLN A 27 12.381 6.496 8.390 1.00 0.00 H new ATOM 0 HA GLN A 27 14.109 7.768 9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.497 5.372 10.017 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.827 5.283 8.879 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.812 6.054 10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.663 7.490 9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.922 6.024 12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.848 7.276 13.508 1.00 0.00 H new ATOM 381 N GLY A 28 14.749 7.699 6.222 1.00 0.00 N ATOM 382 CA GLY A 28 15.522 8.127 5.072 1.00 0.00 C ATOM 383 C GLY A 28 14.858 9.261 4.317 1.00 0.00 C ATOM 384 O GLY A 28 15.448 10.327 4.138 1.00 0.00 O ATOM 0 H GLY A 28 13.738 7.729 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.512 8.444 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.665 7.281 4.399 1.00 0.00 H new ATOM 388 N SER A 29 13.626 9.032 3.871 1.00 0.00 N ATOM 389 CA SER A 29 12.883 10.042 3.125 1.00 0.00 C ATOM 390 C SER A 29 12.316 11.102 4.064 1.00 0.00 C ATOM 391 O SER A 29 11.873 10.794 5.171 1.00 0.00 O ATOM 392 CB SER A 29 11.750 9.388 2.331 1.00 0.00 C ATOM 393 OG SER A 29 11.448 10.135 1.165 1.00 0.00 O ATOM 0 H SER A 29 13.122 8.157 4.013 1.00 0.00 H new ATOM 0 HA SER A 29 13.570 10.526 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.035 8.373 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.861 9.309 2.957 1.00 0.00 H new ATOM 0 HG SER A 29 10.722 9.696 0.674 1.00 0.00 H new ATOM 399 N SER A 30 12.333 12.352 3.614 1.00 0.00 N ATOM 400 CA SER A 30 11.824 13.460 4.414 1.00 0.00 C ATOM 401 C SER A 30 10.385 13.201 4.848 1.00 0.00 C ATOM 402 O SER A 30 10.003 13.501 5.979 1.00 0.00 O ATOM 403 CB SER A 30 11.903 14.767 3.623 1.00 0.00 C ATOM 404 OG SER A 30 11.317 15.836 4.345 1.00 0.00 O ATOM 0 H SER A 30 12.694 12.623 2.699 1.00 0.00 H new ATOM 0 HA SER A 30 12.444 13.546 5.306 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.945 15.000 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.394 14.648 2.666 1.00 0.00 H new ATOM 0 HG SER A 30 11.382 16.660 3.819 1.00 0.00 H new ATOM 410 N GLU A 31 9.591 12.640 3.940 1.00 0.00 N ATOM 411 CA GLU A 31 8.194 12.341 4.228 1.00 0.00 C ATOM 412 C GLU A 31 7.881 10.875 3.943 1.00 0.00 C ATOM 413 O GLU A 31 8.403 10.274 3.004 1.00 0.00 O ATOM 414 CB GLU A 31 7.275 13.241 3.399 1.00 0.00 C ATOM 415 CG GLU A 31 7.655 13.309 1.929 1.00 0.00 C ATOM 416 CD GLU A 31 6.797 14.286 1.150 1.00 0.00 C ATOM 417 OE1 GLU A 31 5.578 14.349 1.417 1.00 0.00 O ATOM 418 OE2 GLU A 31 7.343 14.988 0.273 1.00 0.00 O ATOM 0 H GLU A 31 9.892 12.384 3.000 1.00 0.00 H new ATOM 0 HA GLU A 31 8.019 12.532 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.251 12.878 3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.292 14.247 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.702 13.600 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.562 12.317 1.487 1.00 0.00 H new ATOM 425 N PRO A 32 7.009 10.284 4.774 1.00 0.00 N ATOM 426 CA PRO A 32 6.607 8.882 4.632 1.00 0.00 C ATOM 427 C PRO A 32 5.741 8.649 3.399 1.00 0.00 C ATOM 428 O PRO A 32 5.140 9.582 2.864 1.00 0.00 O ATOM 429 CB PRO A 32 5.805 8.612 5.907 1.00 0.00 C ATOM 430 CG PRO A 32 5.295 9.948 6.324 1.00 0.00 C ATOM 431 CD PRO A 32 6.349 10.940 5.915 1.00 0.00 C ATOM 0 HA PRO A 32 7.466 8.223 4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.987 7.917 5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.430 8.168 6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.343 10.170 5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.124 9.982 7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.912 11.897 5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.050 11.138 6.725 1.00 0.00 H new ATOM 439 N VAL A 33 5.679 7.399 2.951 1.00 0.00 N ATOM 440 CA VAL A 33 4.885 7.043 1.782 1.00 0.00 C ATOM 441 C VAL A 33 4.031 5.810 2.052 1.00 0.00 C ATOM 442 O VAL A 33 4.181 5.150 3.081 1.00 0.00 O ATOM 443 CB VAL A 33 5.778 6.777 0.556 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.510 8.045 0.143 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.763 5.655 0.848 1.00 0.00 C ATOM 0 H VAL A 33 6.170 6.615 3.381 1.00 0.00 H new ATOM 0 HA VAL A 33 4.235 7.892 1.571 1.00 0.00 H new ATOM 0 HB VAL A 33 5.143 6.466 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.136 7.837 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.784 8.818 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.135 8.389 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.386 5.480 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.394 5.935 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.216 4.744 1.091 1.00 0.00 H new ATOM 455 N VAL A 34 3.134 5.502 1.120 1.00 0.00 N ATOM 456 CA VAL A 34 2.256 4.345 1.256 1.00 0.00 C ATOM 457 C VAL A 34 3.029 3.122 1.736 1.00 0.00 C ATOM 458 O VAL A 34 2.570 2.392 2.614 1.00 0.00 O ATOM 459 CB VAL A 34 1.561 4.009 -0.076 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.992 2.599 -0.041 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.470 5.025 -0.379 1.00 0.00 C ATOM 0 H VAL A 34 2.996 6.037 0.263 1.00 0.00 H new ATOM 0 HA VAL A 34 1.500 4.607 1.996 1.00 0.00 H new ATOM 0 HB VAL A 34 2.302 4.056 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.505 2.380 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.799 1.885 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.264 2.520 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.011 4.772 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.271 5.012 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.909 6.020 -0.450 1.00 0.00 H new ATOM 471 N GLN A 35 4.205 2.906 1.155 1.00 0.00 N ATOM 472 CA GLN A 35 5.042 1.771 1.525 1.00 0.00 C ATOM 473 C GLN A 35 4.989 1.522 3.028 1.00 0.00 C ATOM 474 O GLN A 35 4.732 0.404 3.474 1.00 0.00 O ATOM 475 CB GLN A 35 6.487 2.011 1.086 1.00 0.00 C ATOM 476 CG GLN A 35 7.415 0.844 1.381 1.00 0.00 C ATOM 477 CD GLN A 35 6.763 -0.500 1.124 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.319 -0.785 0.011 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.701 -1.335 2.154 1.00 0.00 N ATOM 0 H GLN A 35 4.599 3.502 0.427 1.00 0.00 H new ATOM 0 HA GLN A 35 4.657 0.887 1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.503 2.216 0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.867 2.902 1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.311 0.933 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.737 0.894 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.082 -1.058 3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.273 -2.254 2.041 1.00 0.00 H new ATOM 488 N ASP A 36 5.235 2.571 3.805 1.00 0.00 N ATOM 489 CA ASP A 36 5.216 2.467 5.260 1.00 0.00 C ATOM 490 C ASP A 36 3.810 2.154 5.763 1.00 0.00 C ATOM 491 O ASP A 36 3.635 1.400 6.721 1.00 0.00 O ATOM 492 CB ASP A 36 5.720 3.765 5.892 1.00 0.00 C ATOM 493 CG ASP A 36 7.197 3.996 5.640 1.00 0.00 C ATOM 494 OD1 ASP A 36 8.021 3.280 6.245 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.529 4.894 4.838 1.00 0.00 O ATOM 0 H ASP A 36 5.450 3.503 3.452 1.00 0.00 H new ATOM 0 HA ASP A 36 5.877 1.651 5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.151 4.605 5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.538 3.737 6.966 1.00 0.00 H new ATOM 500 N LEU A 37 2.810 2.739 5.112 1.00 0.00 N ATOM 501 CA LEU A 37 1.419 2.524 5.494 1.00 0.00 C ATOM 502 C LEU A 37 1.036 1.054 5.349 1.00 0.00 C ATOM 503 O LEU A 37 0.439 0.466 6.250 1.00 0.00 O ATOM 504 CB LEU A 37 0.494 3.391 4.638 1.00 0.00 C ATOM 505 CG LEU A 37 -0.962 2.934 4.549 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.577 2.840 5.937 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.766 3.883 3.671 1.00 0.00 C ATOM 0 H LEU A 37 2.937 3.366 4.317 1.00 0.00 H new ATOM 0 HA LEU A 37 1.307 2.808 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.512 4.406 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.902 3.435 3.628 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.985 1.943 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.614 2.513 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.017 2.122 6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.542 3.818 6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.800 3.542 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.735 4.886 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.339 3.901 2.668 1.00 0.00 H new ATOM 519 N ALA A 38 1.384 0.467 4.208 1.00 0.00 N ATOM 520 CA ALA A 38 1.080 -0.934 3.947 1.00 0.00 C ATOM 521 C ALA A 38 1.760 -1.843 4.965 1.00 0.00 C ATOM 522 O ALA A 38 1.171 -2.818 5.431 1.00 0.00 O ATOM 523 CB ALA A 38 1.503 -1.311 2.535 1.00 0.00 C ATOM 0 H ALA A 38 1.876 0.940 3.450 1.00 0.00 H new ATOM 0 HA ALA A 38 0.003 -1.070 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.270 -2.360 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.967 -0.691 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.575 -1.153 2.422 1.00 0.00 H new ATOM 529 N GLN A 39 3.003 -1.516 5.306 1.00 0.00 N ATOM 530 CA GLN A 39 3.763 -2.305 6.268 1.00 0.00 C ATOM 531 C GLN A 39 3.141 -2.214 7.658 1.00 0.00 C ATOM 532 O GLN A 39 2.893 -3.231 8.306 1.00 0.00 O ATOM 533 CB GLN A 39 5.216 -1.829 6.315 1.00 0.00 C ATOM 534 CG GLN A 39 6.117 -2.526 5.308 1.00 0.00 C ATOM 535 CD GLN A 39 6.749 -3.787 5.864 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.797 -3.737 6.509 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.113 -4.926 5.618 1.00 0.00 N ATOM 0 H GLN A 39 3.504 -0.711 4.931 1.00 0.00 H new ATOM 0 HA GLN A 39 3.739 -3.346 5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.244 -0.755 6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.611 -1.992 7.318 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.537 -2.776 4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.903 -1.839 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.247 -4.920 5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.490 -5.807 5.968 1.00 0.00 H new ATOM 546 N VAL A 40 2.892 -0.990 8.111 1.00 0.00 N ATOM 547 CA VAL A 40 2.298 -0.766 9.424 1.00 0.00 C ATOM 548 C VAL A 40 1.104 -1.685 9.650 1.00 0.00 C ATOM 549 O VAL A 40 0.866 -2.149 10.766 1.00 0.00 O ATOM 550 CB VAL A 40 1.846 0.696 9.594 1.00 0.00 C ATOM 551 CG1 VAL A 40 0.943 0.839 10.809 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.052 1.617 9.705 1.00 0.00 C ATOM 0 H VAL A 40 3.092 -0.137 7.588 1.00 0.00 H new ATOM 0 HA VAL A 40 3.069 -0.988 10.162 1.00 0.00 H new ATOM 0 HB VAL A 40 1.276 0.986 8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.634 1.879 10.912 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.062 0.210 10.684 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.485 0.531 11.703 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.714 2.646 9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.651 1.329 10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.656 1.536 8.801 1.00 0.00 H new ATOM 562 N VAL A 41 0.354 -1.947 8.584 1.00 0.00 N ATOM 563 CA VAL A 41 -0.816 -2.813 8.666 1.00 0.00 C ATOM 564 C VAL A 41 -0.409 -4.271 8.846 1.00 0.00 C ATOM 565 O VAL A 41 -0.881 -4.948 9.758 1.00 0.00 O ATOM 566 CB VAL A 41 -1.695 -2.688 7.407 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.884 -3.634 7.490 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.159 -1.251 7.221 1.00 0.00 C ATOM 0 H VAL A 41 0.536 -1.572 7.653 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.390 -2.490 9.535 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.098 -2.968 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.494 -3.532 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.527 -4.661 7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.484 -3.388 8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.779 -1.182 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.740 -0.941 8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.292 -0.600 7.113 1.00 0.00 H new ATOM 578 N GLU A 42 0.470 -4.747 7.970 1.00 0.00 N ATOM 579 CA GLU A 42 0.940 -6.126 8.032 1.00 0.00 C ATOM 580 C GLU A 42 1.800 -6.351 9.272 1.00 0.00 C ATOM 581 O GLU A 42 2.083 -7.489 9.645 1.00 0.00 O ATOM 582 CB GLU A 42 1.738 -6.474 6.774 1.00 0.00 C ATOM 583 CG GLU A 42 2.213 -7.916 6.735 1.00 0.00 C ATOM 584 CD GLU A 42 3.000 -8.237 5.479 1.00 0.00 C ATOM 585 OE1 GLU A 42 2.896 -7.467 4.501 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.719 -9.258 5.473 1.00 0.00 O ATOM 0 H GLU A 42 0.871 -4.198 7.209 1.00 0.00 H new ATOM 0 HA GLU A 42 0.068 -6.778 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.121 -6.280 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.603 -5.813 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.834 -8.114 7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.351 -8.580 6.799 1.00 0.00 H new ATOM 593 N GLU A 43 2.214 -5.258 9.905 1.00 0.00 N ATOM 594 CA GLU A 43 3.044 -5.336 11.102 1.00 0.00 C ATOM 595 C GLU A 43 2.198 -5.176 12.362 1.00 0.00 C ATOM 596 O GLU A 43 2.449 -5.824 13.378 1.00 0.00 O ATOM 597 CB GLU A 43 4.132 -4.262 11.066 1.00 0.00 C ATOM 598 CG GLU A 43 5.187 -4.499 9.997 1.00 0.00 C ATOM 599 CD GLU A 43 6.260 -5.473 10.443 1.00 0.00 C ATOM 600 OE1 GLU A 43 7.118 -5.077 11.259 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.241 -6.631 9.975 1.00 0.00 O ATOM 0 H GLU A 43 1.988 -4.308 9.609 1.00 0.00 H new ATOM 0 HA GLU A 43 3.514 -6.319 11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.667 -3.291 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.618 -4.217 12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.707 -4.881 9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.651 -3.549 9.733 1.00 0.00 H new ATOM 608 N VAL A 44 1.193 -4.309 12.287 1.00 0.00 N ATOM 609 CA VAL A 44 0.309 -4.064 13.420 1.00 0.00 C ATOM 610 C VAL A 44 -0.931 -4.947 13.351 1.00 0.00 C ATOM 611 O VAL A 44 -1.221 -5.701 14.280 1.00 0.00 O ATOM 612 CB VAL A 44 -0.128 -2.588 13.482 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.155 -2.381 14.585 1.00 0.00 C ATOM 614 CG2 VAL A 44 1.078 -1.684 13.689 1.00 0.00 C ATOM 0 H VAL A 44 0.971 -3.765 11.453 1.00 0.00 H new ATOM 0 HA VAL A 44 0.874 -4.306 14.320 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.592 -2.324 12.532 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.452 -1.333 14.614 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.030 -3.001 14.388 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.720 -2.661 15.544 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.751 -0.645 13.730 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.573 -1.946 14.624 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.775 -1.812 12.861 1.00 0.00 H new ATOM 624 N ILE A 45 -1.660 -4.848 12.244 1.00 0.00 N ATOM 625 CA ILE A 45 -2.869 -5.640 12.052 1.00 0.00 C ATOM 626 C ILE A 45 -2.540 -7.123 11.923 1.00 0.00 C ATOM 627 O ILE A 45 -3.139 -7.963 12.592 1.00 0.00 O ATOM 628 CB ILE A 45 -3.646 -5.186 10.803 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.893 -3.677 10.849 1.00 0.00 C ATOM 630 CG2 ILE A 45 -4.963 -5.941 10.696 1.00 0.00 C ATOM 631 CD1 ILE A 45 -5.036 -3.224 9.967 1.00 0.00 C ATOM 0 H ILE A 45 -1.434 -4.227 11.467 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.492 -5.485 12.933 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.048 -5.410 9.920 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.100 -3.382 11.878 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.983 -3.159 10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.501 -5.609 9.808 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.764 -7.010 10.622 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.568 -5.745 11.581 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.153 -2.144 10.050 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.823 -3.487 8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.957 -3.714 10.284 1.00 0.00 H new ATOM 643 N GLY A 46 -1.581 -7.437 11.056 1.00 0.00 N ATOM 644 CA GLY A 46 -1.188 -8.820 10.855 1.00 0.00 C ATOM 645 C GLY A 46 -1.645 -9.364 9.516 1.00 0.00 C ATOM 646 O GLY A 46 -1.595 -10.571 9.279 1.00 0.00 O ATOM 0 H GLY A 46 -1.070 -6.759 10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.103 -8.900 10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.605 -9.433 11.654 1.00 0.00 H new ATOM 650 N VAL A 47 -2.094 -8.472 8.639 1.00 0.00 N ATOM 651 CA VAL A 47 -2.564 -8.870 7.317 1.00 0.00 C ATOM 652 C VAL A 47 -1.523 -8.558 6.248 1.00 0.00 C ATOM 653 O VAL A 47 -0.983 -7.454 6.175 1.00 0.00 O ATOM 654 CB VAL A 47 -3.884 -8.164 6.954 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.293 -8.496 5.527 1.00 0.00 C ATOM 656 CG2 VAL A 47 -4.980 -8.549 7.936 1.00 0.00 C ATOM 0 H VAL A 47 -2.142 -7.469 8.820 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.734 -9.946 7.352 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.731 -7.087 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.228 -7.988 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.515 -8.165 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.430 -9.573 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.906 -8.042 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.135 -9.628 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.686 -8.254 8.943 1.00 0.00 H new ATOM 666 N PRO A 48 -1.233 -9.553 5.396 1.00 0.00 N ATOM 667 CA PRO A 48 -0.255 -9.409 4.313 1.00 0.00 C ATOM 668 C PRO A 48 -0.744 -8.476 3.211 1.00 0.00 C ATOM 669 O PRO A 48 -1.946 -8.362 2.970 1.00 0.00 O ATOM 670 CB PRO A 48 -0.105 -10.835 3.779 1.00 0.00 C ATOM 671 CG PRO A 48 -1.389 -11.507 4.126 1.00 0.00 C ATOM 672 CD PRO A 48 -1.839 -10.895 5.424 1.00 0.00 C ATOM 0 HA PRO A 48 0.679 -8.970 4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.065 -10.839 2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.744 -11.342 4.238 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.133 -11.355 3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.251 -12.583 4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.926 -10.844 5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.495 -11.473 6.282 1.00 0.00 H new ATOM 680 N GLN A 49 0.194 -7.810 2.545 1.00 0.00 N ATOM 681 CA GLN A 49 -0.143 -6.887 1.469 1.00 0.00 C ATOM 682 C GLN A 49 -0.938 -7.593 0.375 1.00 0.00 C ATOM 683 O GLN A 49 -1.507 -6.949 -0.506 1.00 0.00 O ATOM 684 CB GLN A 49 1.128 -6.275 0.877 1.00 0.00 C ATOM 685 CG GLN A 49 2.005 -5.581 1.906 1.00 0.00 C ATOM 686 CD GLN A 49 3.135 -4.792 1.274 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.213 -4.669 0.051 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.017 -4.251 2.106 1.00 0.00 N ATOM 0 H GLN A 49 1.193 -7.893 2.732 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.761 -6.092 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.706 -7.060 0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.850 -5.557 0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.391 -4.911 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.422 -6.326 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.913 -4.379 3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.798 -3.708 1.738 1.00 0.00 H new ATOM 697 N SER A 50 -0.973 -8.920 0.439 1.00 0.00 N ATOM 698 CA SER A 50 -1.695 -9.714 -0.549 1.00 0.00 C ATOM 699 C SER A 50 -3.146 -9.918 -0.125 1.00 0.00 C ATOM 700 O SER A 50 -4.017 -10.175 -0.957 1.00 0.00 O ATOM 701 CB SER A 50 -1.012 -11.069 -0.742 1.00 0.00 C ATOM 702 OG SER A 50 0.334 -10.908 -1.156 1.00 0.00 O ATOM 0 H SER A 50 -0.510 -9.468 1.164 1.00 0.00 H new ATOM 0 HA SER A 50 -1.684 -9.172 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.044 -11.632 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.557 -11.652 -1.485 1.00 0.00 H new ATOM 0 HG SER A 50 0.749 -11.789 -1.271 1.00 0.00 H new ATOM 708 N PHE A 51 -3.398 -9.803 1.174 1.00 0.00 N ATOM 709 CA PHE A 51 -4.744 -9.976 1.710 1.00 0.00 C ATOM 710 C PHE A 51 -5.387 -8.625 2.011 1.00 0.00 C ATOM 711 O PHE A 51 -6.606 -8.476 1.932 1.00 0.00 O ATOM 712 CB PHE A 51 -4.704 -10.828 2.980 1.00 0.00 C ATOM 713 CG PHE A 51 -4.467 -12.288 2.715 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.396 -12.699 1.938 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.315 -13.248 3.243 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.175 -14.042 1.693 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.099 -14.591 3.001 1.00 0.00 C ATOM 718 CZ PHE A 51 -4.028 -14.989 2.224 1.00 0.00 C ATOM 0 H PHE A 51 -2.689 -9.591 1.876 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.345 -10.486 0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.917 -10.453 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.646 -10.712 3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.726 -11.962 1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.154 -12.943 3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.336 -14.350 1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.767 -15.329 3.419 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.859 -16.038 2.032 1.00 0.00 H new ATOM 728 N GLN A 52 -4.558 -7.645 2.356 1.00 0.00 N ATOM 729 CA GLN A 52 -5.046 -6.308 2.670 1.00 0.00 C ATOM 730 C GLN A 52 -5.132 -5.450 1.412 1.00 0.00 C ATOM 731 O GLN A 52 -4.328 -5.597 0.491 1.00 0.00 O ATOM 732 CB GLN A 52 -4.133 -5.637 3.697 1.00 0.00 C ATOM 733 CG GLN A 52 -2.735 -5.351 3.173 1.00 0.00 C ATOM 734 CD GLN A 52 -2.109 -4.129 3.816 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.674 -3.035 3.778 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.936 -4.308 4.412 1.00 0.00 N ATOM 0 H GLN A 52 -3.546 -7.752 2.425 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.047 -6.404 3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.589 -4.701 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.059 -6.276 4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.099 -6.218 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.778 -5.207 2.093 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.504 -5.232 4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.467 -3.522 4.862 1.00 0.00 H new ATOM 745 N LYS A 53 -6.113 -4.555 1.377 1.00 0.00 N ATOM 746 CA LYS A 53 -6.305 -3.672 0.233 1.00 0.00 C ATOM 747 C LYS A 53 -6.651 -2.258 0.688 1.00 0.00 C ATOM 748 O LYS A 53 -7.714 -2.023 1.264 1.00 0.00 O ATOM 749 CB LYS A 53 -7.413 -4.213 -0.674 1.00 0.00 C ATOM 750 CG LYS A 53 -7.921 -3.199 -1.684 1.00 0.00 C ATOM 751 CD LYS A 53 -8.679 -3.871 -2.817 1.00 0.00 C ATOM 752 CE LYS A 53 -10.162 -3.992 -2.501 1.00 0.00 C ATOM 753 NZ LYS A 53 -10.470 -5.247 -1.761 1.00 0.00 N ATOM 0 H LYS A 53 -6.789 -4.422 2.129 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.370 -3.635 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.040 -5.088 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.247 -4.547 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.572 -2.482 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.080 -2.637 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.547 -3.298 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.262 -4.862 -2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.478 -3.134 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.734 -3.967 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.376 -5.142 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.535 -6.039 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.715 -5.438 -1.072 1.00 0.00 H new ATOM 767 N LEU A 54 -5.748 -1.320 0.425 1.00 0.00 N ATOM 768 CA LEU A 54 -5.959 0.073 0.806 1.00 0.00 C ATOM 769 C LEU A 54 -6.913 0.764 -0.163 1.00 0.00 C ATOM 770 O LEU A 54 -6.824 0.577 -1.377 1.00 0.00 O ATOM 771 CB LEU A 54 -4.624 0.819 0.845 1.00 0.00 C ATOM 772 CG LEU A 54 -3.906 0.840 2.195 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.847 1.313 3.292 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.349 -0.537 2.524 1.00 0.00 C ATOM 0 H LEU A 54 -4.863 -1.498 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.406 0.089 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.958 0.369 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.797 1.849 0.532 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.073 1.541 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.319 1.322 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.197 2.319 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.700 0.638 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.841 -0.503 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.165 -1.258 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.641 -0.837 1.751 1.00 0.00 H new ATOM 786 N ILE A 55 -7.824 1.564 0.382 1.00 0.00 N ATOM 787 CA ILE A 55 -8.792 2.286 -0.435 1.00 0.00 C ATOM 788 C ILE A 55 -9.104 3.653 0.163 1.00 0.00 C ATOM 789 O ILE A 55 -9.405 3.770 1.351 1.00 0.00 O ATOM 790 CB ILE A 55 -10.103 1.492 -0.585 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.805 0.033 -0.935 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.987 2.128 -1.649 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.045 -0.825 -1.056 1.00 0.00 C ATOM 0 H ILE A 55 -7.912 1.728 1.385 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.341 2.417 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.636 1.515 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.256 -0.002 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.154 -0.390 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.910 1.556 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.223 3.153 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.462 2.131 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.758 -1.846 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.584 -0.821 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.688 -0.427 -1.841 1.00 0.00 H new ATOM 805 N PHE A 56 -9.031 4.687 -0.669 1.00 0.00 N ATOM 806 CA PHE A 56 -9.307 6.048 -0.223 1.00 0.00 C ATOM 807 C PHE A 56 -10.057 6.830 -1.297 1.00 0.00 C ATOM 808 O PHE A 56 -9.764 6.712 -2.487 1.00 0.00 O ATOM 809 CB PHE A 56 -8.002 6.766 0.129 1.00 0.00 C ATOM 810 CG PHE A 56 -8.199 7.975 0.998 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.192 7.860 2.379 1.00 0.00 C ATOM 812 CD2 PHE A 56 -8.391 9.226 0.434 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.374 8.971 3.181 1.00 0.00 C ATOM 814 CE2 PHE A 56 -8.572 10.341 1.231 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.563 10.213 2.606 1.00 0.00 C ATOM 0 H PHE A 56 -8.783 4.608 -1.655 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.935 5.993 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.338 6.067 0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.503 7.068 -0.792 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.043 6.892 2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.399 9.331 -0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.368 8.868 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.720 11.311 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.704 11.083 3.231 1.00 0.00 H new ATOM 825 N LYS A 57 -11.027 7.631 -0.868 1.00 0.00 N ATOM 826 CA LYS A 57 -11.820 8.434 -1.791 1.00 0.00 C ATOM 827 C LYS A 57 -12.399 7.570 -2.906 1.00 0.00 C ATOM 828 O LYS A 57 -12.694 8.061 -3.995 1.00 0.00 O ATOM 829 CB LYS A 57 -10.966 9.554 -2.389 1.00 0.00 C ATOM 830 CG LYS A 57 -10.953 10.822 -1.553 1.00 0.00 C ATOM 831 CD LYS A 57 -12.288 11.545 -1.616 1.00 0.00 C ATOM 832 CE LYS A 57 -12.261 12.835 -0.812 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.359 13.760 -1.209 1.00 0.00 N ATOM 0 H LYS A 57 -11.283 7.741 0.113 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.646 8.875 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.943 9.196 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.338 9.790 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.721 10.574 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.163 11.484 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.534 11.767 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.074 10.894 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.348 12.603 0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.300 13.330 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.306 14.627 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.262 14.002 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.277 13.297 -1.051 1.00 0.00 H new ATOM 847 N GLY A 58 -12.559 6.280 -2.627 1.00 0.00 N ATOM 848 CA GLY A 58 -13.103 5.368 -3.617 1.00 0.00 C ATOM 849 C GLY A 58 -12.063 4.918 -4.624 1.00 0.00 C ATOM 850 O GLY A 58 -12.394 4.570 -5.757 1.00 0.00 O ATOM 0 H GLY A 58 -12.322 5.850 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.518 4.495 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.926 5.854 -4.141 1.00 0.00 H new ATOM 854 N LYS A 59 -10.800 4.926 -4.211 1.00 0.00 N ATOM 855 CA LYS A 59 -9.707 4.516 -5.084 1.00 0.00 C ATOM 856 C LYS A 59 -8.780 3.536 -4.372 1.00 0.00 C ATOM 857 O LYS A 59 -8.404 3.749 -3.219 1.00 0.00 O ATOM 858 CB LYS A 59 -8.913 5.738 -5.550 1.00 0.00 C ATOM 859 CG LYS A 59 -7.750 6.092 -4.640 1.00 0.00 C ATOM 860 CD LYS A 59 -7.330 7.542 -4.809 1.00 0.00 C ATOM 861 CE LYS A 59 -5.894 7.763 -4.359 1.00 0.00 C ATOM 862 NZ LYS A 59 -4.923 7.506 -5.458 1.00 0.00 N ATOM 0 H LYS A 59 -10.508 5.212 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.137 4.017 -5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.534 5.552 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.585 6.594 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.031 5.913 -3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.904 5.440 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.433 7.832 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.996 8.184 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.778 8.787 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.672 7.107 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.223 6.803 -5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.429 7.144 -6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.437 8.391 -5.706 1.00 0.00 H new ATOM 876 N SER A 60 -8.414 2.463 -5.066 1.00 0.00 N ATOM 877 CA SER A 60 -7.532 1.450 -4.498 1.00 0.00 C ATOM 878 C SER A 60 -6.084 1.929 -4.496 1.00 0.00 C ATOM 879 O SER A 60 -5.507 2.204 -5.549 1.00 0.00 O ATOM 880 CB SER A 60 -7.648 0.144 -5.287 1.00 0.00 C ATOM 881 OG SER A 60 -7.963 0.394 -6.645 1.00 0.00 O ATOM 0 H SER A 60 -8.714 2.273 -6.022 1.00 0.00 H new ATOM 0 HA SER A 60 -7.839 1.273 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.710 -0.407 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.418 -0.486 -4.842 1.00 0.00 H new ATOM 0 HG SER A 60 -8.030 -0.457 -7.127 1.00 0.00 H new ATOM 887 N LEU A 61 -5.501 2.026 -3.307 1.00 0.00 N ATOM 888 CA LEU A 61 -4.119 2.472 -3.165 1.00 0.00 C ATOM 889 C LEU A 61 -3.153 1.300 -3.300 1.00 0.00 C ATOM 890 O LEU A 61 -2.897 0.578 -2.336 1.00 0.00 O ATOM 891 CB LEU A 61 -3.920 3.160 -1.813 1.00 0.00 C ATOM 892 CG LEU A 61 -5.104 3.977 -1.295 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.767 4.616 0.043 1.00 0.00 C ATOM 894 CD2 LEU A 61 -5.503 5.040 -2.309 1.00 0.00 C ATOM 0 H LEU A 61 -5.964 1.802 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.909 3.185 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.678 2.398 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.055 3.818 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.949 3.304 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.621 5.193 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.530 3.838 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.907 5.276 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.347 5.612 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.661 5.710 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.787 4.561 -3.246 1.00 0.00 H new ATOM 906 N LYS A 62 -2.615 1.119 -4.501 1.00 0.00 N ATOM 907 CA LYS A 62 -1.673 0.037 -4.763 1.00 0.00 C ATOM 908 C LYS A 62 -0.320 0.588 -5.201 1.00 0.00 C ATOM 909 O LYS A 62 0.369 -0.015 -6.022 1.00 0.00 O ATOM 910 CB LYS A 62 -2.226 -0.900 -5.839 1.00 0.00 C ATOM 911 CG LYS A 62 -2.538 -0.201 -7.152 1.00 0.00 C ATOM 912 CD LYS A 62 -3.113 -1.167 -8.174 1.00 0.00 C ATOM 913 CE LYS A 62 -4.632 -1.214 -8.105 1.00 0.00 C ATOM 914 NZ LYS A 62 -5.258 -0.171 -8.964 1.00 0.00 N ATOM 0 H LYS A 62 -2.815 1.708 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.536 -0.523 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.503 -1.695 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.133 -1.374 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.247 0.608 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.630 0.252 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.802 -0.867 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.709 -2.164 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.980 -2.199 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.953 -1.075 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.293 -0.236 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.946 0.770 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.972 -0.318 -9.953 1.00 0.00 H new ATOM 928 N GLU A 63 0.055 1.736 -4.645 1.00 0.00 N ATOM 929 CA GLU A 63 1.326 2.367 -4.978 1.00 0.00 C ATOM 930 C GLU A 63 2.130 2.670 -3.717 1.00 0.00 C ATOM 931 O GLU A 63 1.792 3.575 -2.955 1.00 0.00 O ATOM 932 CB GLU A 63 1.090 3.656 -5.767 1.00 0.00 C ATOM 933 CG GLU A 63 0.292 3.451 -7.044 1.00 0.00 C ATOM 934 CD GLU A 63 -0.439 4.704 -7.484 1.00 0.00 C ATOM 935 OE1 GLU A 63 -1.431 5.075 -6.823 1.00 0.00 O ATOM 936 OE2 GLU A 63 -0.018 5.315 -8.489 1.00 0.00 O ATOM 0 H GLU A 63 -0.504 2.248 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 63 1.897 1.672 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.566 4.370 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.053 4.100 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.964 3.129 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.430 2.649 -6.892 1.00 0.00 H new ATOM 943 N MET A 64 3.197 1.905 -3.504 1.00 0.00 N ATOM 944 CA MET A 64 4.050 2.092 -2.336 1.00 0.00 C ATOM 945 C MET A 64 4.933 3.325 -2.500 1.00 0.00 C ATOM 946 O MET A 64 5.064 4.131 -1.580 1.00 0.00 O ATOM 947 CB MET A 64 4.919 0.854 -2.110 1.00 0.00 C ATOM 948 CG MET A 64 4.144 -0.453 -2.175 1.00 0.00 C ATOM 949 SD MET A 64 2.962 -0.627 -0.824 1.00 0.00 S ATOM 950 CE MET A 64 1.414 -0.425 -1.702 1.00 0.00 C ATOM 0 H MET A 64 3.491 1.151 -4.125 1.00 0.00 H new ATOM 0 HA MET A 64 3.408 2.240 -1.468 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.711 0.835 -2.858 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.402 0.932 -1.136 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.614 -0.510 -3.126 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.844 -1.288 -2.150 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.583 -0.630 -1.027 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.337 0.597 -2.073 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.379 -1.119 -2.542 1.00 0.00 H new ATOM 960 N GLU A 65 5.537 3.463 -3.676 1.00 0.00 N ATOM 961 CA GLU A 65 6.408 4.597 -3.958 1.00 0.00 C ATOM 962 C GLU A 65 5.611 5.897 -4.010 1.00 0.00 C ATOM 963 O GLU A 65 6.178 6.984 -4.128 1.00 0.00 O ATOM 964 CB GLU A 65 7.146 4.386 -5.282 1.00 0.00 C ATOM 965 CG GLU A 65 7.738 2.995 -5.434 1.00 0.00 C ATOM 966 CD GLU A 65 6.748 2.000 -6.009 1.00 0.00 C ATOM 967 OE1 GLU A 65 5.838 2.429 -6.748 1.00 0.00 O ATOM 968 OE2 GLU A 65 6.884 0.792 -5.721 1.00 0.00 O ATOM 0 H GLU A 65 5.439 2.804 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 65 7.137 4.670 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.457 4.570 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.945 5.123 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.614 3.046 -6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.080 2.641 -4.461 1.00 0.00 H new ATOM 975 N THR A 66 4.289 5.777 -3.921 1.00 0.00 N ATOM 976 CA THR A 66 3.412 6.941 -3.959 1.00 0.00 C ATOM 977 C THR A 66 3.333 7.615 -2.594 1.00 0.00 C ATOM 978 O THR A 66 3.043 6.982 -1.579 1.00 0.00 O ATOM 979 CB THR A 66 1.991 6.558 -4.414 1.00 0.00 C ATOM 980 OG1 THR A 66 1.974 6.330 -5.827 1.00 0.00 O ATOM 981 CG2 THR A 66 0.996 7.653 -4.059 1.00 0.00 C ATOM 0 H THR A 66 3.803 4.886 -3.822 1.00 0.00 H new ATOM 0 HA THR A 66 3.841 7.637 -4.680 1.00 0.00 H new ATOM 0 HB THR A 66 1.701 5.644 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.090 6.557 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.000 7.360 -4.390 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.990 7.803 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.284 8.581 -4.553 1.00 0.00 H new ATOM 989 N PRO A 67 3.596 8.930 -2.566 1.00 0.00 N ATOM 990 CA PRO A 67 3.559 9.718 -1.331 1.00 0.00 C ATOM 991 C PRO A 67 2.142 9.891 -0.796 1.00 0.00 C ATOM 992 O PRO A 67 1.221 10.225 -1.542 1.00 0.00 O ATOM 993 CB PRO A 67 4.138 11.070 -1.756 1.00 0.00 C ATOM 994 CG PRO A 67 3.866 11.156 -3.218 1.00 0.00 C ATOM 995 CD PRO A 67 3.949 9.748 -3.739 1.00 0.00 C ATOM 0 HA PRO A 67 4.111 9.237 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.665 11.890 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.207 11.126 -1.548 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.882 11.585 -3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.594 11.799 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.258 9.584 -4.566 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.948 9.514 -4.107 1.00 0.00 H new ATOM 1003 N LEU A 68 1.973 9.661 0.502 1.00 0.00 N ATOM 1004 CA LEU A 68 0.667 9.792 1.138 1.00 0.00 C ATOM 1005 C LEU A 68 0.065 11.168 0.870 1.00 0.00 C ATOM 1006 O LEU A 68 -1.154 11.319 0.793 1.00 0.00 O ATOM 1007 CB LEU A 68 0.786 9.560 2.645 1.00 0.00 C ATOM 1008 CG LEU A 68 1.335 8.199 3.074 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.896 8.270 4.485 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.251 7.134 2.982 1.00 0.00 C ATOM 0 H LEU A 68 2.724 9.383 1.134 1.00 0.00 H new ATOM 0 HA LEU A 68 0.006 9.038 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.428 10.336 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.200 9.688 3.091 1.00 0.00 H new ATOM 0 HG LEU A 68 2.144 7.925 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.282 7.292 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.702 9.003 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.107 8.566 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.659 6.172 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.579 7.403 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.104 7.064 1.954 1.00 0.00 H new ATOM 1022 N SER A 69 0.929 12.168 0.726 1.00 0.00 N ATOM 1023 CA SER A 69 0.484 13.532 0.467 1.00 0.00 C ATOM 1024 C SER A 69 -0.236 13.623 -0.875 1.00 0.00 C ATOM 1025 O SER A 69 -1.235 14.329 -1.009 1.00 0.00 O ATOM 1026 CB SER A 69 1.674 14.492 0.486 1.00 0.00 C ATOM 1027 OG SER A 69 1.265 15.818 0.198 1.00 0.00 O ATOM 0 H SER A 69 1.941 12.059 0.784 1.00 0.00 H new ATOM 0 HA SER A 69 -0.214 13.815 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.155 14.461 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.416 14.170 -0.245 1.00 0.00 H new ATOM 0 HG SER A 69 2.044 16.412 0.218 1.00 0.00 H new ATOM 1033 N ALA A 70 0.279 12.903 -1.866 1.00 0.00 N ATOM 1034 CA ALA A 70 -0.314 12.900 -3.197 1.00 0.00 C ATOM 1035 C ALA A 70 -1.708 12.283 -3.175 1.00 0.00 C ATOM 1036 O ALA A 70 -2.630 12.784 -3.820 1.00 0.00 O ATOM 1037 CB ALA A 70 0.581 12.150 -4.173 1.00 0.00 C ATOM 0 H ALA A 70 1.106 12.314 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.407 13.934 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.125 12.156 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.556 12.635 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.704 11.121 -3.837 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.856 11.193 -2.431 1.00 0.00 N ATOM 1044 CA LEU A 71 -3.139 10.507 -2.325 1.00 0.00 C ATOM 1045 C LEU A 71 -4.154 11.362 -1.573 1.00 0.00 C ATOM 1046 O LEU A 71 -5.362 11.158 -1.690 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.964 9.162 -1.617 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.844 8.266 -2.147 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.323 7.356 -1.045 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.332 7.446 -3.332 1.00 0.00 C ATOM 0 H LEU A 71 -1.103 10.765 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.514 10.334 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.781 9.352 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.904 8.614 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.025 8.901 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.527 6.725 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.934 7.962 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.135 6.728 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.522 6.814 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.168 6.820 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.656 8.115 -4.129 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.655 12.323 -0.802 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.531 13.196 -0.043 1.00 0.00 C ATOM 1064 C GLY A 72 -4.607 12.812 1.421 1.00 0.00 C ATOM 1065 O GLY A 72 -5.327 13.441 2.198 1.00 0.00 O ATOM 0 H GLY A 72 -2.659 12.513 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.177 14.223 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.531 13.167 -0.475 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.865 11.777 1.799 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.852 11.310 3.179 1.00 0.00 C ATOM 1071 C ILE A 73 -2.957 12.187 4.048 1.00 0.00 C ATOM 1072 O ILE A 73 -2.036 12.834 3.551 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.371 9.850 3.276 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.377 8.913 2.605 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.160 9.457 4.730 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.761 7.627 2.099 1.00 0.00 C ATOM 0 H ILE A 73 -3.265 11.246 1.168 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.878 11.370 3.541 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.418 9.762 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.167 8.673 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.846 9.434 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.820 8.423 4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.409 10.108 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.099 9.558 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.532 7.012 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.990 7.858 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.316 7.084 2.933 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.235 12.202 5.348 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.453 12.999 6.286 1.00 0.00 C ATOM 1090 C GLN A 74 -2.886 12.728 7.723 1.00 0.00 C ATOM 1091 O GLN A 74 -4.046 12.406 7.982 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.601 14.488 5.969 1.00 0.00 C ATOM 1093 CG GLN A 74 -3.927 15.078 6.421 1.00 0.00 C ATOM 1094 CD GLN A 74 -4.274 16.361 5.691 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -4.442 17.413 6.308 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -4.382 16.280 4.370 1.00 0.00 N ATOM 0 H GLN A 74 -3.995 11.672 5.775 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.406 12.714 6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.788 15.035 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.495 14.634 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.719 14.347 6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.887 15.274 7.493 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.234 15.387 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.613 17.111 3.825 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.947 12.860 8.653 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.232 12.630 10.065 1.00 0.00 C ATOM 1107 C ASP A 75 -3.627 13.129 10.427 1.00 0.00 C ATOM 1108 O ASP A 75 -3.917 14.320 10.324 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.186 13.325 10.938 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.854 14.719 10.445 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -1.551 15.673 10.849 1.00 0.00 O ATOM 1112 OD2 ASP A 75 0.102 14.857 9.653 1.00 0.00 O ATOM 0 H ASP A 75 -0.982 13.125 8.455 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.192 11.556 10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.553 13.383 11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.277 12.724 10.959 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.488 12.209 10.849 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.843 12.574 11.219 1.00 0.00 C ATOM 1119 C GLY A 76 -6.857 12.189 10.160 1.00 0.00 C ATOM 1120 O GLY A 76 -7.981 12.693 10.153 1.00 0.00 O ATOM 0 H GLY A 76 -4.271 11.217 10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.103 12.089 12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.892 13.649 11.391 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.460 11.294 9.262 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.342 10.842 8.191 1.00 0.00 C ATOM 1126 C CYS A 77 -7.804 9.410 8.435 1.00 0.00 C ATOM 1127 O CYS A 77 -7.242 8.699 9.269 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.630 10.939 6.841 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.794 12.548 6.033 1.00 0.00 S ATOM 0 H CYS A 77 -5.534 10.867 9.254 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.219 11.489 8.178 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.571 10.723 6.985 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.025 10.170 6.178 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.157 12.532 4.900 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.832 8.992 7.703 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.372 7.645 7.842 1.00 0.00 C ATOM 1137 C ARG A 78 -9.278 6.883 6.523 1.00 0.00 C ATOM 1138 O ARG A 78 -9.918 7.248 5.536 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.827 7.701 8.309 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.983 7.691 9.820 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.422 7.955 10.234 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.505 8.626 11.529 1.00 0.00 N ATOM 1143 CZ ARG A 78 -12.141 9.888 11.727 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -11.672 10.612 10.720 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -12.246 10.428 12.934 1.00 0.00 N ATOM 0 H ARG A 78 -9.307 9.567 7.008 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.779 7.118 8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.293 8.602 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.367 6.851 7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.661 6.727 10.214 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.333 8.448 10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.911 8.568 9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.965 7.011 10.279 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.862 8.097 12.324 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.590 10.200 9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.393 11.581 10.875 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.606 9.874 13.711 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.966 11.397 13.085 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.477 5.823 6.513 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.300 5.009 5.316 1.00 0.00 C ATOM 1161 C VAL A 79 -9.058 3.691 5.431 1.00 0.00 C ATOM 1162 O VAL A 79 -9.153 3.110 6.512 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.812 4.712 5.055 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.648 3.871 3.798 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.021 6.007 4.946 1.00 0.00 C ATOM 0 H VAL A 79 -7.940 5.507 7.321 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.700 5.583 4.480 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.420 4.143 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.590 3.671 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.181 2.928 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.056 4.411 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.971 5.778 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.412 6.604 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.112 6.568 5.876 1.00 0.00 H new ATOM 1175 N MET A 80 -9.595 3.224 4.309 1.00 0.00 N ATOM 1176 CA MET A 80 -10.343 1.973 4.283 1.00 0.00 C ATOM 1177 C MET A 80 -9.449 0.814 3.852 1.00 0.00 C ATOM 1178 O MET A 80 -8.729 0.908 2.858 1.00 0.00 O ATOM 1179 CB MET A 80 -11.539 2.088 3.336 1.00 0.00 C ATOM 1180 CG MET A 80 -12.206 0.756 3.033 1.00 0.00 C ATOM 1181 SD MET A 80 -13.800 0.947 2.213 1.00 0.00 S ATOM 1182 CE MET A 80 -14.609 -0.579 2.686 1.00 0.00 C ATOM 0 H MET A 80 -9.526 3.693 3.406 1.00 0.00 H new ATOM 0 HA MET A 80 -10.705 1.775 5.292 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.275 2.762 3.774 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.209 2.541 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.547 0.159 2.402 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.344 0.204 3.962 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.565 -0.659 2.169 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.978 -1.425 2.414 1.00 0.00 H new ATOM 0 HE3 MET A 80 -14.777 -0.583 3.763 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.501 -0.279 4.607 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.695 -1.456 4.303 1.00 0.00 C ATOM 1194 C LEU A 81 -9.574 -2.695 4.160 1.00 0.00 C ATOM 1195 O LEU A 81 -10.498 -2.907 4.946 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.652 -1.682 5.399 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.639 -2.798 5.143 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.734 -2.439 3.974 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.816 -3.069 6.393 1.00 0.00 C ATOM 0 H LEU A 81 -10.092 -0.374 5.433 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.185 -1.282 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.106 -0.751 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.175 -1.900 6.330 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.185 -3.706 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.019 -3.245 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.337 -2.296 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.196 -1.518 4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.100 -3.866 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.280 -2.164 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.477 -3.371 7.205 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.279 -3.509 3.152 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.041 -4.728 2.908 1.00 0.00 C ATOM 1213 C ILE A 82 -9.128 -5.949 2.874 1.00 0.00 C ATOM 1214 O ILE A 82 -8.133 -5.974 2.151 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.822 -4.648 1.583 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.819 -3.488 1.623 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.540 -5.962 1.311 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.604 -3.322 0.341 1.00 0.00 C ATOM 0 H ILE A 82 -8.519 -3.347 2.492 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.748 -4.828 3.731 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.116 -4.468 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.514 -3.645 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.280 -2.564 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.087 -5.890 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.810 -6.769 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.238 -6.170 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.291 -2.482 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.917 -3.133 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.170 -4.232 0.141 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.475 -6.963 3.662 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.677 -8.175 3.706 1.00 0.00 C ATOM 1232 C GLY A 83 -9.225 -9.194 4.684 1.00 0.00 C ATOM 1233 O GLY A 83 -10.334 -9.040 5.197 1.00 0.00 O ATOM 0 H GLY A 83 -10.294 -6.967 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.637 -8.616 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.654 -7.923 3.984 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.449 -10.240 4.943 1.00 0.00 N ATOM 1238 CA LYS A 84 -8.862 -11.291 5.866 1.00 0.00 C ATOM 1239 C LYS A 84 -7.775 -11.563 6.902 1.00 0.00 C ATOM 1240 O LYS A 84 -6.588 -11.372 6.637 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.183 -12.575 5.099 1.00 0.00 C ATOM 1242 CG LYS A 84 -9.596 -13.731 5.994 1.00 0.00 C ATOM 1243 CD LYS A 84 -10.962 -13.495 6.615 1.00 0.00 C ATOM 1244 CE LYS A 84 -12.081 -13.761 5.620 1.00 0.00 C ATOM 1245 NZ LYS A 84 -13.335 -14.193 6.297 1.00 0.00 N ATOM 0 H LYS A 84 -7.529 -10.383 4.526 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.758 -10.952 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.984 -12.373 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.309 -12.870 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.614 -14.653 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.855 -13.865 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.085 -14.142 7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.028 -12.467 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.274 -12.858 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.765 -14.530 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.073 -14.364 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.158 -15.069 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.651 -13.448 6.951 1.00 0.00 H new ATOM 1259 N LYS A 85 -8.188 -12.013 8.082 1.00 0.00 N ATOM 1260 CA LYS A 85 -7.251 -12.315 9.157 1.00 0.00 C ATOM 1261 C LYS A 85 -7.258 -13.805 9.482 1.00 0.00 C ATOM 1262 O LYS A 85 -8.217 -14.320 10.055 1.00 0.00 O ATOM 1263 CB LYS A 85 -7.601 -11.507 10.409 1.00 0.00 C ATOM 1264 CG LYS A 85 -6.918 -10.151 10.469 1.00 0.00 C ATOM 1265 CD LYS A 85 -6.999 -9.548 11.860 1.00 0.00 C ATOM 1266 CE LYS A 85 -8.314 -8.814 12.075 1.00 0.00 C ATOM 1267 NZ LYS A 85 -8.574 -8.552 13.517 1.00 0.00 N ATOM 0 H LYS A 85 -9.167 -12.177 8.318 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.251 -12.039 8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.681 -11.363 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.324 -12.083 11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.873 -10.256 10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.384 -9.476 9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.895 -10.336 12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.168 -8.858 12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.295 -7.869 11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.131 -9.404 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.479 -8.050 13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.617 -9.455 14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.807 -7.967 13.907 1.00 0.00 H new ATOM 1281 N ASN A 86 -6.181 -14.492 9.114 1.00 0.00 N ATOM 1282 CA ASN A 86 -6.063 -15.923 9.368 1.00 0.00 C ATOM 1283 C ASN A 86 -4.897 -16.215 10.307 1.00 0.00 C ATOM 1284 O ASN A 86 -3.742 -15.941 9.983 1.00 0.00 O ATOM 1285 CB ASN A 86 -5.876 -16.682 8.053 1.00 0.00 C ATOM 1286 CG ASN A 86 -4.689 -16.174 7.257 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -3.611 -16.768 7.282 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -4.883 -15.070 6.545 1.00 0.00 N ATOM 0 H ASN A 86 -5.378 -14.080 8.639 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.983 -16.259 9.846 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.741 -17.743 8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.780 -16.589 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.121 -14.681 5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.794 -14.611 6.554 1.00 0.00 H new ATOM 1295 N SER A 87 -5.208 -16.773 11.473 1.00 0.00 N ATOM 1296 CA SER A 87 -4.186 -17.099 12.461 1.00 0.00 C ATOM 1297 C SER A 87 -3.276 -18.214 11.954 1.00 0.00 C ATOM 1298 O SER A 87 -3.680 -19.373 11.877 1.00 0.00 O ATOM 1299 CB SER A 87 -4.838 -17.518 13.780 1.00 0.00 C ATOM 1300 OG SER A 87 -5.272 -16.388 14.516 1.00 0.00 O ATOM 0 H SER A 87 -6.159 -17.009 11.756 1.00 0.00 H new ATOM 0 HA SER A 87 -3.581 -16.208 12.629 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.686 -18.172 13.578 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.127 -18.092 14.374 1.00 0.00 H new ATOM 0 HG SER A 87 -5.687 -16.683 15.354 1.00 0.00 H new ATOM 1306 N GLY A 88 -2.044 -17.852 11.608 1.00 0.00 N ATOM 1307 CA GLY A 88 -1.095 -18.832 11.112 1.00 0.00 C ATOM 1308 C GLY A 88 0.330 -18.316 11.124 1.00 0.00 C ATOM 1309 O GLY A 88 0.667 -17.377 11.846 1.00 0.00 O ATOM 0 H GLY A 88 -1.686 -16.898 11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.157 -19.734 11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.367 -19.115 10.095 1.00 0.00 H new ATOM 1313 N PRO A 89 1.196 -18.938 10.311 1.00 0.00 N ATOM 1314 CA PRO A 89 2.607 -18.554 10.213 1.00 0.00 C ATOM 1315 C PRO A 89 2.794 -17.200 9.537 1.00 0.00 C ATOM 1316 O PRO A 89 2.107 -16.880 8.567 1.00 0.00 O ATOM 1317 CB PRO A 89 3.220 -19.667 9.360 1.00 0.00 C ATOM 1318 CG PRO A 89 2.084 -20.195 8.553 1.00 0.00 C ATOM 1319 CD PRO A 89 0.863 -20.065 9.423 1.00 0.00 C ATOM 0 HA PRO A 89 3.069 -18.447 11.194 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.015 -19.283 8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.659 -20.446 9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.966 -19.630 7.628 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.254 -21.234 8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.031 -19.862 8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.672 -20.978 9.987 1.00 0.00 H new ATOM 1327 N SER A 90 3.728 -16.409 10.055 1.00 0.00 N ATOM 1328 CA SER A 90 4.003 -15.088 9.503 1.00 0.00 C ATOM 1329 C SER A 90 4.994 -15.178 8.346 1.00 0.00 C ATOM 1330 O SER A 90 6.100 -15.696 8.501 1.00 0.00 O ATOM 1331 CB SER A 90 4.553 -14.162 10.589 1.00 0.00 C ATOM 1332 OG SER A 90 3.503 -13.590 11.350 1.00 0.00 O ATOM 0 H SER A 90 4.307 -16.660 10.856 1.00 0.00 H new ATOM 0 HA SER A 90 3.066 -14.677 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.219 -14.722 11.246 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.147 -13.371 10.131 1.00 0.00 H new ATOM 0 HG SER A 90 3.880 -13.004 12.039 1.00 0.00 H new ATOM 1338 N SER A 91 4.590 -14.669 7.187 1.00 0.00 N ATOM 1339 CA SER A 91 5.439 -14.695 6.002 1.00 0.00 C ATOM 1340 C SER A 91 6.899 -14.453 6.376 1.00 0.00 C ATOM 1341 O SER A 91 7.197 -13.734 7.328 1.00 0.00 O ATOM 1342 CB SER A 91 4.978 -13.640 4.995 1.00 0.00 C ATOM 1343 OG SER A 91 5.283 -12.333 5.449 1.00 0.00 O ATOM 0 H SER A 91 3.679 -14.233 7.043 1.00 0.00 H new ATOM 0 HA SER A 91 5.356 -15.682 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.460 -13.816 4.033 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.904 -13.731 4.835 1.00 0.00 H new ATOM 0 HG SER A 91 4.980 -11.678 4.787 1.00 0.00 H new ATOM 1349 N GLY A 92 7.806 -15.062 5.617 1.00 0.00 N ATOM 1350 CA GLY A 92 9.223 -14.902 5.883 1.00 0.00 C ATOM 1351 C GLY A 92 9.536 -14.882 7.366 1.00 0.00 C ATOM 1352 O GLY A 92 9.518 -13.825 7.997 1.00 0.00 O ATOM 0 H GLY A 92 7.584 -15.663 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.772 -15.716 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.572 -13.975 5.429 1.00 0.00 H new TER 1356 GLY A 92