USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 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 NoAdj-H: A 79 HIS HD1 : A 79 HIS ND1 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 102 HIS HE2 : A 102 HIS NE2 : A 139 ZNZN :(H bumps) USER MOD Set 1.1: A 127 LYS NZ :NH3+ -156:sc= -0.0435 (180deg=-0.264) USER MOD Set 1.2: A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -3.27 K(o=-3.3,f=-3.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 63 MET CE :methyl -160:sc= -3.58 (180deg=-3.92!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= -0.246 (180deg=-1.27!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-1.9) USER MOD Single : A 74 LYS NZ :NH3+ 150:sc= -0.206 (180deg=-0.786) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -52:sc= 0.971 USER MOD Single : A 91 ASN : amide:sc= -0.0955 K(o=-0.096,f=-1.3) USER MOD Single : A 92 GLN : amide:sc= -1.03 X(o=-1,f=-1) USER MOD Single : A 96 GLN : amide:sc= -0.166 K(o=-0.17,f=-3.1!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot -45:sc= 0.556 USER MOD Single : A 105 GLN : amide:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= -0.0487 (180deg=-0.293) USER MOD Single : A 113 SER OG : rot 180:sc= -0.191 USER MOD Single : A 121 HIS : no HD1:sc= -0.908 K(o=-0.91,f=-0.34) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -8.150 24.956 2.580 1.00 0.00 N ATOM 2 CA LEU A 51 -8.419 24.835 1.123 1.00 0.00 C ATOM 3 C LEU A 51 -8.688 23.386 0.730 1.00 0.00 C ATOM 4 O LEU A 51 -7.841 22.513 0.925 1.00 0.00 O ATOM 5 CB LEU A 51 -7.209 25.376 0.359 1.00 0.00 C ATOM 6 CG LEU A 51 -7.274 26.868 0.016 1.00 0.00 C ATOM 7 CD1 LEU A 51 -6.131 27.622 0.681 1.00 0.00 C ATOM 8 CD2 LEU A 51 -7.242 27.073 -1.492 1.00 0.00 C ATOM 0 HA LEU A 51 -9.310 25.412 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.313 25.194 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.100 24.810 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.215 27.265 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.195 28.680 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.199 27.506 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.179 27.221 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.289 28.139 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.319 26.658 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.095 26.569 -1.946 1.00 0.00 H new ATOM 20 N ARG A 52 -9.869 23.138 0.176 1.00 0.00 N ATOM 21 CA ARG A 52 -10.248 21.794 -0.245 1.00 0.00 C ATOM 22 C ARG A 52 -9.397 21.332 -1.422 1.00 0.00 C ATOM 23 O ARG A 52 -9.659 21.689 -2.571 1.00 0.00 O ATOM 24 CB ARG A 52 -11.729 21.755 -0.627 1.00 0.00 C ATOM 25 CG ARG A 52 -12.657 21.525 0.555 1.00 0.00 C ATOM 26 CD ARG A 52 -14.117 21.571 0.134 1.00 0.00 C ATOM 27 NE ARG A 52 -15.008 21.791 1.271 1.00 0.00 N ATOM 28 CZ ARG A 52 -16.326 21.938 1.163 1.00 0.00 C ATOM 29 NH1 ARG A 52 -16.911 21.886 -0.027 1.00 0.00 N ATOM 30 NH2 ARG A 52 -17.062 22.133 2.248 1.00 0.00 N ATOM 0 H ARG A 52 -10.580 23.849 0.008 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.077 21.117 0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.996 22.695 -1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.886 20.964 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.438 20.558 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.473 22.283 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.259 22.367 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.382 20.635 -0.358 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.595 21.834 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.350 21.733 -0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.922 21.999 -0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.618 22.170 3.166 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.072 22.246 2.165 1.00 0.00 H new ATOM 44 N LEU A 53 -8.373 20.537 -1.129 1.00 0.00 N ATOM 45 CA LEU A 53 -7.480 20.026 -2.164 1.00 0.00 C ATOM 46 C LEU A 53 -7.178 18.545 -1.946 1.00 0.00 C ATOM 47 O LEU A 53 -6.172 18.031 -2.433 1.00 0.00 O ATOM 48 CB LEU A 53 -6.175 20.825 -2.182 1.00 0.00 C ATOM 49 CG LEU A 53 -6.334 22.327 -1.941 1.00 0.00 C ATOM 50 CD1 LEU A 53 -5.055 22.912 -1.360 1.00 0.00 C ATOM 51 CD2 LEU A 53 -6.708 23.036 -3.233 1.00 0.00 C ATOM 0 H LEU A 53 -8.141 20.232 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.982 20.138 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.507 20.419 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.689 20.676 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.138 22.478 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.186 23.981 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.829 22.424 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.232 22.751 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.817 24.104 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.925 22.877 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.650 22.636 -3.608 1.00 0.00 H new ATOM 63 N CYS A 54 -8.057 17.865 -1.218 1.00 0.00 N ATOM 64 CA CYS A 54 -7.883 16.444 -0.942 1.00 0.00 C ATOM 65 C CYS A 54 -8.401 15.600 -2.102 1.00 0.00 C ATOM 66 O CYS A 54 -9.502 15.826 -2.603 1.00 0.00 O ATOM 67 CB CYS A 54 -8.607 16.058 0.349 1.00 0.00 C ATOM 68 SG CYS A 54 -8.080 14.476 1.048 1.00 0.00 S ATOM 0 H CYS A 54 -8.897 18.275 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.817 16.251 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.448 16.841 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.679 16.017 0.153 1.00 0.00 H new ATOM 73 N GLN A 55 -7.600 14.627 -2.525 1.00 0.00 N ATOM 74 CA GLN A 55 -7.979 13.751 -3.627 1.00 0.00 C ATOM 75 C GLN A 55 -9.291 13.031 -3.326 1.00 0.00 C ATOM 76 O GLN A 55 -10.050 12.701 -4.236 1.00 0.00 O ATOM 77 CB GLN A 55 -6.873 12.727 -3.894 1.00 0.00 C ATOM 78 CG GLN A 55 -6.515 11.885 -2.681 1.00 0.00 C ATOM 79 CD GLN A 55 -6.200 10.447 -3.043 1.00 0.00 C ATOM 80 OE1 GLN A 55 -7.098 9.613 -3.158 1.00 0.00 O ATOM 81 NE2 GLN A 55 -4.919 10.150 -3.225 1.00 0.00 N ATOM 0 H GLN A 55 -6.685 14.426 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.119 14.367 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.188 12.068 -4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.981 13.250 -4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.654 12.326 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.343 11.905 -1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.208 10.873 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.646 9.198 -3.471 1.00 0.00 H new ATOM 90 N VAL A 56 -9.552 12.794 -2.044 1.00 0.00 N ATOM 91 CA VAL A 56 -10.772 12.117 -1.628 1.00 0.00 C ATOM 92 C VAL A 56 -11.976 13.045 -1.730 1.00 0.00 C ATOM 93 O VAL A 56 -11.878 14.238 -1.443 1.00 0.00 O ATOM 94 CB VAL A 56 -10.666 11.596 -0.180 1.00 0.00 C ATOM 95 CG1 VAL A 56 -11.801 10.630 0.124 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.313 10.937 0.058 1.00 0.00 C ATOM 0 H VAL A 56 -8.935 13.061 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.906 11.271 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.751 12.445 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.710 10.273 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.756 11.141 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.751 9.783 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.259 10.577 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.191 10.098 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.519 11.664 -0.113 1.00 0.00 H new ATOM 106 N ASP A 57 -13.111 12.491 -2.141 1.00 0.00 N ATOM 107 CA ASP A 57 -14.333 13.270 -2.281 1.00 0.00 C ATOM 108 C ASP A 57 -15.116 13.294 -0.972 1.00 0.00 C ATOM 109 O ASP A 57 -14.933 12.434 -0.110 1.00 0.00 O ATOM 110 CB ASP A 57 -15.205 12.696 -3.399 1.00 0.00 C ATOM 111 CG ASP A 57 -14.744 13.136 -4.775 1.00 0.00 C ATOM 112 OD1 ASP A 57 -15.055 14.281 -5.167 1.00 0.00 O ATOM 113 OD2 ASP A 57 -14.071 12.337 -5.459 1.00 0.00 O ATOM 0 H ASP A 57 -13.209 11.505 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.054 14.292 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.191 11.607 -3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.238 13.009 -3.247 1.00 0.00 H new ATOM 118 N ARG A 58 -15.990 14.286 -0.831 1.00 0.00 N ATOM 119 CA ARG A 58 -16.806 14.425 0.371 1.00 0.00 C ATOM 120 C ARG A 58 -15.939 14.643 1.607 1.00 0.00 C ATOM 121 O ARG A 58 -16.351 14.332 2.725 1.00 0.00 O ATOM 122 CB ARG A 58 -17.686 13.187 0.563 1.00 0.00 C ATOM 123 CG ARG A 58 -18.777 13.047 -0.488 1.00 0.00 C ATOM 124 CD ARG A 58 -18.894 11.617 -0.989 1.00 0.00 C ATOM 125 NE ARG A 58 -18.496 11.492 -2.389 1.00 0.00 N ATOM 126 CZ ARG A 58 -19.277 11.829 -3.414 1.00 0.00 C ATOM 127 NH1 ARG A 58 -20.497 12.305 -3.198 1.00 0.00 N ATOM 128 NH2 ARG A 58 -18.838 11.687 -4.657 1.00 0.00 N ATOM 0 H ARG A 58 -16.152 15.006 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.442 15.301 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.057 12.297 0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -18.147 13.228 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.731 13.364 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -18.562 13.710 -1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.271 10.966 -0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.923 11.275 -0.873 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.566 11.125 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.840 12.414 -2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.091 12.562 -3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.902 11.320 -4.828 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.436 11.945 -5.442 1.00 0.00 H new ATOM 142 N CYS A 59 -14.739 15.179 1.404 1.00 0.00 N ATOM 143 CA CYS A 59 -13.823 15.438 2.510 1.00 0.00 C ATOM 144 C CYS A 59 -14.101 16.803 3.134 1.00 0.00 C ATOM 145 O CYS A 59 -14.148 17.816 2.437 1.00 0.00 O ATOM 146 CB CYS A 59 -12.372 15.368 2.030 1.00 0.00 C ATOM 147 SG CYS A 59 -11.150 15.683 3.326 1.00 0.00 S ATOM 0 H CYS A 59 -14.379 15.442 0.487 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.981 14.671 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.188 14.381 1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.230 16.092 1.228 1.00 0.00 H new ATOM 152 N THR A 60 -14.279 16.820 4.451 1.00 0.00 N ATOM 153 CA THR A 60 -14.550 18.060 5.169 1.00 0.00 C ATOM 154 C THR A 60 -13.273 18.632 5.779 1.00 0.00 C ATOM 155 O THR A 60 -13.160 19.840 5.986 1.00 0.00 O ATOM 156 CB THR A 60 -15.589 17.848 6.285 1.00 0.00 C ATOM 157 OG1 THR A 60 -15.487 16.517 6.805 1.00 0.00 O ATOM 158 CG2 THR A 60 -16.998 18.086 5.765 1.00 0.00 C ATOM 0 H THR A 60 -14.240 15.990 5.042 1.00 0.00 H new ATOM 0 HA THR A 60 -14.950 18.766 4.441 1.00 0.00 H new ATOM 0 HB THR A 60 -15.385 18.565 7.080 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.150 16.392 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.715 17.930 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.082 19.109 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.209 17.390 4.953 1.00 0.00 H new ATOM 166 N ALA A 61 -12.314 17.756 6.067 1.00 0.00 N ATOM 167 CA ALA A 61 -11.047 18.174 6.655 1.00 0.00 C ATOM 168 C ALA A 61 -10.358 19.226 5.792 1.00 0.00 C ATOM 169 O ALA A 61 -10.043 18.980 4.628 1.00 0.00 O ATOM 170 CB ALA A 61 -10.137 16.971 6.850 1.00 0.00 C ATOM 0 H ALA A 61 -12.391 16.752 5.902 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.256 18.622 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.194 17.296 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.619 16.254 7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.945 16.500 5.886 1.00 0.00 H new ATOM 176 N ASP A 62 -10.125 20.399 6.372 1.00 0.00 N ATOM 177 CA ASP A 62 -9.472 21.489 5.657 1.00 0.00 C ATOM 178 C ASP A 62 -7.965 21.268 5.587 1.00 0.00 C ATOM 179 O ASP A 62 -7.361 20.738 6.519 1.00 0.00 O ATOM 180 CB ASP A 62 -9.772 22.825 6.340 1.00 0.00 C ATOM 181 CG ASP A 62 -9.859 23.972 5.353 1.00 0.00 C ATOM 182 OD1 ASP A 62 -10.385 23.760 4.241 1.00 0.00 O ATOM 183 OD2 ASP A 62 -9.402 25.083 5.693 1.00 0.00 O ATOM 0 H ASP A 62 -10.379 20.619 7.335 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.865 21.511 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.712 22.748 6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.994 23.038 7.073 1.00 0.00 H new ATOM 188 N MET A 63 -7.363 21.677 4.474 1.00 0.00 N ATOM 189 CA MET A 63 -5.926 21.524 4.284 1.00 0.00 C ATOM 190 C MET A 63 -5.203 22.845 4.518 1.00 0.00 C ATOM 191 O MET A 63 -4.179 23.125 3.891 1.00 0.00 O ATOM 192 CB MET A 63 -5.629 21.010 2.874 1.00 0.00 C ATOM 193 CG MET A 63 -5.911 19.527 2.694 1.00 0.00 C ATOM 194 SD MET A 63 -4.855 18.765 1.447 1.00 0.00 S ATOM 195 CE MET A 63 -3.263 18.831 2.267 1.00 0.00 C ATOM 0 H MET A 63 -7.848 22.116 3.692 1.00 0.00 H new ATOM 0 HA MET A 63 -5.564 20.798 5.012 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.226 21.574 2.158 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.582 21.203 2.639 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.769 19.016 3.646 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.955 19.391 2.412 1.00 0.00 H new ATOM 0 HE1 MET A 63 -2.468 18.738 1.527 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.162 19.782 2.790 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.189 18.013 2.984 1.00 0.00 H new ATOM 205 N LYS A 64 -5.739 23.655 5.424 1.00 0.00 N ATOM 206 CA LYS A 64 -5.145 24.949 5.742 1.00 0.00 C ATOM 207 C LYS A 64 -3.924 24.782 6.639 1.00 0.00 C ATOM 208 O LYS A 64 -2.972 25.559 6.561 1.00 0.00 O ATOM 209 CB LYS A 64 -6.174 25.852 6.423 1.00 0.00 C ATOM 210 CG LYS A 64 -5.867 27.335 6.289 1.00 0.00 C ATOM 211 CD LYS A 64 -6.737 28.169 7.215 1.00 0.00 C ATOM 212 CE LYS A 64 -6.001 28.535 8.494 1.00 0.00 C ATOM 213 NZ LYS A 64 -6.434 29.856 9.026 1.00 0.00 N ATOM 0 H LYS A 64 -6.585 23.439 5.952 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.826 25.413 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.157 25.653 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.227 25.595 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.816 27.512 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.026 27.649 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.049 29.078 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.643 27.615 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.176 27.766 9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.928 28.555 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.909 30.068 9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.244 30.594 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.453 29.830 9.233 1.00 0.00 H new ATOM 227 N GLU A 65 -3.956 23.761 7.491 1.00 0.00 N ATOM 228 CA GLU A 65 -2.851 23.493 8.404 1.00 0.00 C ATOM 229 C GLU A 65 -2.246 22.118 8.138 1.00 0.00 C ATOM 230 O GLU A 65 -1.857 21.409 9.066 1.00 0.00 O ATOM 231 CB GLU A 65 -3.329 23.581 9.855 1.00 0.00 C ATOM 232 CG GLU A 65 -3.287 24.989 10.424 1.00 0.00 C ATOM 233 CD GLU A 65 -4.058 25.116 11.723 1.00 0.00 C ATOM 234 OE1 GLU A 65 -5.214 24.648 11.776 1.00 0.00 O ATOM 235 OE2 GLU A 65 -3.505 25.684 12.689 1.00 0.00 O ATOM 0 H GLU A 65 -4.735 23.107 7.568 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.082 24.247 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.350 23.204 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.711 22.930 10.473 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.250 25.278 10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.698 25.685 9.692 1.00 0.00 H new ATOM 242 N ALA A 66 -2.170 21.746 6.864 1.00 0.00 N ATOM 243 CA ALA A 66 -1.613 20.457 6.478 1.00 0.00 C ATOM 244 C ALA A 66 -0.089 20.496 6.478 1.00 0.00 C ATOM 245 O ALA A 66 0.514 21.557 6.634 1.00 0.00 O ATOM 246 CB ALA A 66 -2.132 20.049 5.107 1.00 0.00 C ATOM 0 H ALA A 66 -2.487 22.320 6.083 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.931 19.716 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.708 19.084 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.219 19.973 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.841 20.798 4.370 1.00 0.00 H new ATOM 252 N LYS A 67 0.528 19.332 6.301 1.00 0.00 N ATOM 253 CA LYS A 67 1.983 19.233 6.280 1.00 0.00 C ATOM 254 C LYS A 67 2.502 19.155 4.848 1.00 0.00 C ATOM 255 O LYS A 67 1.741 18.899 3.915 1.00 0.00 O ATOM 256 CB LYS A 67 2.443 18.007 7.070 1.00 0.00 C ATOM 257 CG LYS A 67 3.896 18.077 7.510 1.00 0.00 C ATOM 258 CD LYS A 67 4.211 17.028 8.564 1.00 0.00 C ATOM 259 CE LYS A 67 3.850 17.515 9.959 1.00 0.00 C ATOM 260 NZ LYS A 67 4.465 18.836 10.263 1.00 0.00 N ATOM 0 H LYS A 67 0.043 18.444 6.170 1.00 0.00 H new ATOM 0 HA LYS A 67 2.390 20.130 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.810 17.894 7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.300 17.116 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.546 17.933 6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.109 19.069 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.662 16.113 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.272 16.780 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.766 17.590 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.180 16.783 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.552 18.950 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.408 18.888 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.865 19.595 9.881 1.00 0.00 H new ATOM 274 N LEU A 68 3.802 19.378 4.682 1.00 0.00 N ATOM 275 CA LEU A 68 4.423 19.334 3.363 1.00 0.00 C ATOM 276 C LEU A 68 4.282 17.947 2.739 1.00 0.00 C ATOM 277 O LEU A 68 4.272 17.806 1.516 1.00 0.00 O ATOM 278 CB LEU A 68 5.902 19.718 3.461 1.00 0.00 C ATOM 279 CG LEU A 68 6.233 21.137 2.994 1.00 0.00 C ATOM 280 CD1 LEU A 68 7.503 21.637 3.662 1.00 0.00 C ATOM 281 CD2 LEU A 68 6.374 21.177 1.479 1.00 0.00 C ATOM 0 H LEU A 68 4.446 19.591 5.444 1.00 0.00 H new ATOM 0 HA LEU A 68 3.910 20.052 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.223 19.608 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.485 19.012 2.870 1.00 0.00 H new ATOM 0 HG LEU A 68 5.414 21.795 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.722 22.648 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.367 21.644 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.333 20.978 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.609 22.193 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.175 20.506 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.438 20.861 1.018 1.00 0.00 H new ATOM 293 N TYR A 69 4.174 16.928 3.584 1.00 0.00 N ATOM 294 CA TYR A 69 4.034 15.556 3.111 1.00 0.00 C ATOM 295 C TYR A 69 2.595 15.266 2.694 1.00 0.00 C ATOM 296 O TYR A 69 2.347 14.445 1.811 1.00 0.00 O ATOM 297 CB TYR A 69 4.468 14.572 4.199 1.00 0.00 C ATOM 298 CG TYR A 69 4.410 13.124 3.766 1.00 0.00 C ATOM 299 CD1 TYR A 69 3.243 12.384 3.907 1.00 0.00 C ATOM 300 CD2 TYR A 69 5.523 12.498 3.217 1.00 0.00 C ATOM 301 CE1 TYR A 69 3.186 11.060 3.512 1.00 0.00 C ATOM 302 CE2 TYR A 69 5.473 11.177 2.819 1.00 0.00 C ATOM 303 CZ TYR A 69 4.303 10.462 2.969 1.00 0.00 C ATOM 304 OH TYR A 69 4.251 9.144 2.574 1.00 0.00 O ATOM 0 H TYR A 69 4.181 17.026 4.599 1.00 0.00 H new ATOM 0 HA TYR A 69 4.678 15.433 2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.486 14.810 4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.831 14.707 5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.366 12.850 4.332 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.442 13.054 3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.271 10.498 3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.346 10.706 2.392 1.00 0.00 H new ATOM 0 HH TYR A 69 5.121 8.877 2.212 1.00 0.00 H new ATOM 314 N HIS A 70 1.649 15.946 3.335 1.00 0.00 N ATOM 315 CA HIS A 70 0.235 15.761 3.029 1.00 0.00 C ATOM 316 C HIS A 70 -0.232 16.729 1.941 1.00 0.00 C ATOM 317 O HIS A 70 -1.402 16.722 1.557 1.00 0.00 O ATOM 318 CB HIS A 70 -0.609 15.952 4.291 1.00 0.00 C ATOM 319 CG HIS A 70 -0.564 14.782 5.223 1.00 0.00 C ATOM 320 ND1 HIS A 70 -0.312 14.903 6.573 1.00 0.00 N ATOM 321 CD2 HIS A 70 -0.743 13.459 4.994 1.00 0.00 C ATOM 322 CE1 HIS A 70 -0.337 13.707 7.134 1.00 0.00 C ATOM 323 NE2 HIS A 70 -0.596 12.814 6.197 1.00 0.00 N ATOM 0 H HIS A 70 1.836 16.629 4.069 1.00 0.00 H new ATOM 0 HA HIS A 70 0.106 14.744 2.658 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.262 16.840 4.819 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.644 16.136 4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.961 12.997 4.042 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.173 13.496 8.180 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.674 11.808 6.343 1.00 0.00 H new ATOM 331 N ARG A 71 0.683 17.560 1.446 1.00 0.00 N ATOM 332 CA ARG A 71 0.352 18.527 0.406 1.00 0.00 C ATOM 333 C ARG A 71 0.598 17.939 -0.980 1.00 0.00 C ATOM 334 O ARG A 71 -0.330 17.779 -1.773 1.00 0.00 O ATOM 335 CB ARG A 71 1.176 19.804 0.584 1.00 0.00 C ATOM 336 CG ARG A 71 0.550 20.802 1.544 1.00 0.00 C ATOM 337 CD ARG A 71 0.859 22.235 1.139 1.00 0.00 C ATOM 338 NE ARG A 71 -0.303 22.906 0.563 1.00 0.00 N ATOM 339 CZ ARG A 71 -1.298 23.417 1.285 1.00 0.00 C ATOM 340 NH1 ARG A 71 -1.277 23.336 2.608 1.00 0.00 N ATOM 341 NH2 ARG A 71 -2.317 24.013 0.678 1.00 0.00 N ATOM 0 H ARG A 71 1.657 17.582 1.749 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.706 18.771 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.169 19.538 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.307 20.280 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.530 20.655 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.921 20.620 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.203 22.791 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.675 22.239 0.416 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.355 22.988 -0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.495 22.880 3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.043 23.730 3.155 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.337 24.079 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.080 24.405 1.229 1.00 0.00 H new ATOM 355 N ARG A 72 1.857 17.619 -1.266 1.00 0.00 N ATOM 356 CA ARG A 72 2.227 17.049 -2.558 1.00 0.00 C ATOM 357 C ARG A 72 1.409 15.796 -2.864 1.00 0.00 C ATOM 358 O ARG A 72 1.196 15.449 -4.026 1.00 0.00 O ATOM 359 CB ARG A 72 3.723 16.718 -2.586 1.00 0.00 C ATOM 360 CG ARG A 72 4.123 15.589 -1.645 1.00 0.00 C ATOM 361 CD ARG A 72 5.110 14.638 -2.302 1.00 0.00 C ATOM 362 NE ARG A 72 4.546 13.992 -3.484 1.00 0.00 N ATOM 363 CZ ARG A 72 5.260 13.272 -4.348 1.00 0.00 C ATOM 364 NH1 ARG A 72 6.563 13.105 -4.163 1.00 0.00 N ATOM 365 NH2 ARG A 72 4.668 12.718 -5.397 1.00 0.00 N ATOM 0 H ARG A 72 2.637 17.745 -0.621 1.00 0.00 H new ATOM 0 HA ARG A 72 2.011 17.793 -3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.006 16.448 -3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.288 17.613 -2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.566 16.007 -0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.234 15.038 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.009 15.186 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.413 13.877 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 72 3.547 14.098 -3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.022 13.529 -3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.106 12.553 -4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.666 12.843 -5.542 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.214 12.167 -6.059 1.00 0.00 H new ATOM 379 N HIS A 73 0.952 15.122 -1.812 1.00 0.00 N ATOM 380 CA HIS A 73 0.156 13.909 -1.969 1.00 0.00 C ATOM 381 C HIS A 73 -1.313 14.242 -2.221 1.00 0.00 C ATOM 382 O HIS A 73 -2.070 13.407 -2.715 1.00 0.00 O ATOM 383 CB HIS A 73 0.282 13.028 -0.724 1.00 0.00 C ATOM 384 CG HIS A 73 1.598 12.320 -0.624 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.353 11.972 -1.725 1.00 0.00 N ATOM 386 CD2 HIS A 73 2.294 11.893 0.457 1.00 0.00 C ATOM 387 CE1 HIS A 73 3.455 11.363 -1.326 1.00 0.00 C ATOM 388 NE2 HIS A 73 3.444 11.303 -0.008 1.00 0.00 N ATOM 0 H HIS A 73 1.119 15.395 -0.843 1.00 0.00 H new ATOM 0 HA HIS A 73 0.538 13.367 -2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.142 13.645 0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.520 12.289 -0.729 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.000 11.997 1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.233 10.979 -1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.172 10.886 0.572 1.00 0.00 H new ATOM 396 N LYS A 74 -1.712 15.465 -1.879 1.00 0.00 N ATOM 397 CA LYS A 74 -3.091 15.903 -2.069 1.00 0.00 C ATOM 398 C LYS A 74 -4.044 15.095 -1.192 1.00 0.00 C ATOM 399 O LYS A 74 -5.202 14.881 -1.550 1.00 0.00 O ATOM 400 CB LYS A 74 -3.492 15.776 -3.541 1.00 0.00 C ATOM 401 CG LYS A 74 -3.385 17.079 -4.315 1.00 0.00 C ATOM 402 CD LYS A 74 -3.391 16.840 -5.815 1.00 0.00 C ATOM 403 CE LYS A 74 -2.440 17.781 -6.535 1.00 0.00 C ATOM 404 NZ LYS A 74 -1.033 17.606 -6.078 1.00 0.00 N ATOM 0 H LYS A 74 -1.099 16.170 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.158 16.950 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.860 15.027 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.518 15.412 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.216 17.732 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.469 17.597 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.108 15.808 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.401 16.976 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.498 17.604 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.751 18.812 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.384 17.834 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.847 18.241 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.884 16.620 -5.781 1.00 0.00 H new ATOM 418 N VAL A 75 -3.547 14.649 -0.043 1.00 0.00 N ATOM 419 CA VAL A 75 -4.353 13.867 0.886 1.00 0.00 C ATOM 420 C VAL A 75 -4.119 14.321 2.325 1.00 0.00 C ATOM 421 O VAL A 75 -2.993 14.633 2.712 1.00 0.00 O ATOM 422 CB VAL A 75 -4.042 12.362 0.771 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.585 12.084 1.111 1.00 0.00 C ATOM 424 CG2 VAL A 75 -4.968 11.553 1.668 1.00 0.00 C ATOM 0 H VAL A 75 -2.590 14.816 0.267 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.397 14.031 0.621 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.213 12.057 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.388 11.015 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.940 12.630 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.381 12.408 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.732 10.493 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.833 11.863 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.003 11.723 1.370 1.00 0.00 H new ATOM 434 N CYS A 76 -5.189 14.354 3.112 1.00 0.00 N ATOM 435 CA CYS A 76 -5.095 14.771 4.505 1.00 0.00 C ATOM 436 C CYS A 76 -4.780 13.582 5.409 1.00 0.00 C ATOM 437 O CYS A 76 -4.855 12.429 4.984 1.00 0.00 O ATOM 438 CB CYS A 76 -6.397 15.448 4.947 1.00 0.00 C ATOM 439 SG CYS A 76 -7.799 14.321 5.143 1.00 0.00 S ATOM 0 H CYS A 76 -6.129 14.098 2.809 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.280 15.489 4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.223 15.959 5.894 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.661 16.212 4.216 1.00 0.00 H new ATOM 444 N GLU A 77 -4.421 13.871 6.656 1.00 0.00 N ATOM 445 CA GLU A 77 -4.087 12.825 7.617 1.00 0.00 C ATOM 446 C GLU A 77 -5.287 11.921 7.886 1.00 0.00 C ATOM 447 O GLU A 77 -5.132 10.719 8.111 1.00 0.00 O ATOM 448 CB GLU A 77 -3.601 13.448 8.929 1.00 0.00 C ATOM 449 CG GLU A 77 -2.614 12.575 9.686 1.00 0.00 C ATOM 450 CD GLU A 77 -3.172 12.066 11.000 1.00 0.00 C ATOM 451 OE1 GLU A 77 -4.145 11.282 10.968 1.00 0.00 O ATOM 452 OE2 GLU A 77 -2.636 12.448 12.062 1.00 0.00 O ATOM 0 H GLU A 77 -4.354 14.820 7.025 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.289 12.218 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.133 14.409 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.461 13.648 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.333 11.726 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.705 13.144 9.878 1.00 0.00 H new ATOM 459 N VAL A 78 -6.481 12.503 7.866 1.00 0.00 N ATOM 460 CA VAL A 78 -7.704 11.746 8.112 1.00 0.00 C ATOM 461 C VAL A 78 -7.867 10.611 7.105 1.00 0.00 C ATOM 462 O VAL A 78 -8.306 9.516 7.457 1.00 0.00 O ATOM 463 CB VAL A 78 -8.948 12.651 8.049 1.00 0.00 C ATOM 464 CG1 VAL A 78 -10.185 11.892 8.503 1.00 0.00 C ATOM 465 CG2 VAL A 78 -8.742 13.901 8.892 1.00 0.00 C ATOM 0 H VAL A 78 -6.629 13.495 7.682 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.616 11.328 9.115 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.098 12.958 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.054 12.548 8.452 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.342 11.031 7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.047 11.552 9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.631 14.529 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.565 13.615 9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.882 14.456 8.516 1.00 0.00 H new ATOM 475 N HIS A 79 -7.514 10.882 5.853 1.00 0.00 N ATOM 476 CA HIS A 79 -7.627 9.883 4.796 1.00 0.00 C ATOM 477 C HIS A 79 -6.304 9.153 4.591 1.00 0.00 C ATOM 478 O HIS A 79 -6.284 7.981 4.211 1.00 0.00 O ATOM 479 CB HIS A 79 -8.067 10.544 3.489 1.00 0.00 C ATOM 480 CG HIS A 79 -9.535 10.834 3.432 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.047 12.109 3.311 1.00 0.00 N ATOM 482 CD2 HIS A 79 -10.606 10.005 3.477 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.366 12.053 3.285 1.00 0.00 C ATOM 484 NE2 HIS A 79 -11.732 10.789 3.383 1.00 0.00 N ATOM 0 H HIS A 79 -7.148 11.783 5.546 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.378 9.153 5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.515 11.475 3.358 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.800 9.895 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.580 8.929 3.569 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.032 12.898 3.198 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.694 10.449 3.388 1.00 0.00 H new ATOM 491 N ALA A 80 -5.202 9.849 4.844 1.00 0.00 N ATOM 492 CA ALA A 80 -3.877 9.264 4.686 1.00 0.00 C ATOM 493 C ALA A 80 -3.647 8.140 5.691 1.00 0.00 C ATOM 494 O ALA A 80 -2.910 7.193 5.421 1.00 0.00 O ATOM 495 CB ALA A 80 -2.806 10.334 4.833 1.00 0.00 C ATOM 0 H ALA A 80 -5.200 10.819 5.159 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.814 8.838 3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.821 9.882 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.950 11.100 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.878 10.788 5.821 1.00 0.00 H new ATOM 501 N LYS A 81 -4.285 8.252 6.852 1.00 0.00 N ATOM 502 CA LYS A 81 -4.150 7.245 7.898 1.00 0.00 C ATOM 503 C LYS A 81 -5.333 6.281 7.886 1.00 0.00 C ATOM 504 O LYS A 81 -5.210 5.129 8.300 1.00 0.00 O ATOM 505 CB LYS A 81 -4.039 7.915 9.270 1.00 0.00 C ATOM 506 CG LYS A 81 -3.398 7.033 10.327 1.00 0.00 C ATOM 507 CD LYS A 81 -2.964 7.841 11.540 1.00 0.00 C ATOM 508 CE LYS A 81 -2.256 6.972 12.566 1.00 0.00 C ATOM 509 NZ LYS A 81 -1.106 7.678 13.194 1.00 0.00 N ATOM 0 H LYS A 81 -4.900 9.030 7.092 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.240 6.677 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.457 8.831 9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.035 8.204 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.104 6.262 10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.534 6.522 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.300 8.646 11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.836 8.308 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.964 6.673 13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.903 6.059 12.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.650 7.051 13.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.417 7.941 12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.445 8.536 13.674 1.00 0.00 H new ATOM 523 N ALA A 82 -6.479 6.759 7.407 1.00 0.00 N ATOM 524 CA ALA A 82 -7.683 5.939 7.341 1.00 0.00 C ATOM 525 C ALA A 82 -7.434 4.653 6.558 1.00 0.00 C ATOM 526 O ALA A 82 -6.715 4.654 5.558 1.00 0.00 O ATOM 527 CB ALA A 82 -8.823 6.726 6.714 1.00 0.00 C ATOM 0 H ALA A 82 -6.598 7.710 7.059 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.960 5.665 8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.716 6.102 6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.028 7.611 7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.544 7.030 5.705 1.00 0.00 H new ATOM 533 N SER A 83 -8.032 3.559 7.020 1.00 0.00 N ATOM 534 CA SER A 83 -7.876 2.267 6.364 1.00 0.00 C ATOM 535 C SER A 83 -8.675 2.216 5.065 1.00 0.00 C ATOM 536 O SER A 83 -8.115 2.010 3.989 1.00 0.00 O ATOM 537 CB SER A 83 -8.324 1.140 7.297 1.00 0.00 C ATOM 538 OG SER A 83 -7.861 1.359 8.618 1.00 0.00 O ATOM 0 H SER A 83 -8.629 3.542 7.847 1.00 0.00 H new ATOM 0 HA SER A 83 -6.821 2.134 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.412 1.073 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.946 0.186 6.929 1.00 0.00 H new ATOM 0 HG SER A 83 -8.161 0.627 9.196 1.00 0.00 H new ATOM 544 N SER A 84 -9.986 2.403 5.175 1.00 0.00 N ATOM 545 CA SER A 84 -10.862 2.376 4.009 1.00 0.00 C ATOM 546 C SER A 84 -11.508 3.740 3.782 1.00 0.00 C ATOM 547 O SER A 84 -11.618 4.546 4.706 1.00 0.00 O ATOM 548 CB SER A 84 -11.944 1.309 4.182 1.00 0.00 C ATOM 549 OG SER A 84 -12.880 1.687 5.175 1.00 0.00 O ATOM 0 H SER A 84 -10.465 2.575 6.059 1.00 0.00 H new ATOM 0 HA SER A 84 -10.256 2.131 3.137 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.459 1.152 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.483 0.360 4.455 1.00 0.00 H new ATOM 0 HG SER A 84 -13.562 0.989 5.265 1.00 0.00 H new ATOM 555 N VAL A 85 -11.933 3.990 2.549 1.00 0.00 N ATOM 556 CA VAL A 85 -12.567 5.256 2.200 1.00 0.00 C ATOM 557 C VAL A 85 -13.596 5.066 1.091 1.00 0.00 C ATOM 558 O VAL A 85 -13.534 4.099 0.333 1.00 0.00 O ATOM 559 CB VAL A 85 -11.531 6.303 1.748 1.00 0.00 C ATOM 560 CG1 VAL A 85 -12.151 7.691 1.716 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.310 6.279 2.656 1.00 0.00 C ATOM 0 H VAL A 85 -11.850 3.332 1.774 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.065 5.617 3.100 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.208 6.050 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.403 8.416 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.988 7.699 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.506 7.954 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.591 7.026 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.613 6.503 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.850 5.291 2.621 1.00 0.00 H new ATOM 571 N PHE A 86 -14.542 5.995 1.003 1.00 0.00 N ATOM 572 CA PHE A 86 -15.584 5.931 -0.016 1.00 0.00 C ATOM 573 C PHE A 86 -15.236 6.816 -1.208 1.00 0.00 C ATOM 574 O PHE A 86 -15.694 7.954 -1.304 1.00 0.00 O ATOM 575 CB PHE A 86 -16.931 6.356 0.577 1.00 0.00 C ATOM 576 CG PHE A 86 -18.086 5.528 0.093 1.00 0.00 C ATOM 577 CD1 PHE A 86 -18.009 4.143 0.086 1.00 0.00 C ATOM 578 CD2 PHE A 86 -19.250 6.132 -0.354 1.00 0.00 C ATOM 579 CE1 PHE A 86 -19.071 3.379 -0.357 1.00 0.00 C ATOM 580 CE2 PHE A 86 -20.315 5.373 -0.799 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.225 3.994 -0.801 1.00 0.00 C ATOM 0 H PHE A 86 -14.609 6.801 1.625 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.656 4.900 -0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -16.877 6.291 1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -17.115 7.401 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.109 3.657 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.326 7.209 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -18.999 2.301 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.217 5.857 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.056 3.398 -1.149 1.00 0.00 H new ATOM 591 N LEU A 87 -14.421 6.285 -2.115 1.00 0.00 N ATOM 592 CA LEU A 87 -14.012 7.026 -3.301 1.00 0.00 C ATOM 593 C LEU A 87 -14.937 6.725 -4.477 1.00 0.00 C ATOM 594 O LEU A 87 -14.959 5.606 -4.990 1.00 0.00 O ATOM 595 CB LEU A 87 -12.564 6.683 -3.669 1.00 0.00 C ATOM 596 CG LEU A 87 -11.579 7.846 -3.559 1.00 0.00 C ATOM 597 CD1 LEU A 87 -11.071 7.983 -2.132 1.00 0.00 C ATOM 598 CD2 LEU A 87 -10.418 7.650 -4.523 1.00 0.00 C ATOM 0 H LEU A 87 -14.032 5.344 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.078 8.090 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.222 5.874 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.544 6.305 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.099 8.766 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.371 8.816 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.911 8.167 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.566 7.064 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.725 8.487 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.899 6.722 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.797 7.601 -5.544 1.00 0.00 H new ATOM 610 N SER A 88 -15.700 7.729 -4.897 1.00 0.00 N ATOM 611 CA SER A 88 -16.627 7.572 -6.014 1.00 0.00 C ATOM 612 C SER A 88 -17.632 6.460 -5.732 1.00 0.00 C ATOM 613 O SER A 88 -18.053 5.746 -6.643 1.00 0.00 O ATOM 614 CB SER A 88 -15.861 7.272 -7.304 1.00 0.00 C ATOM 615 OG SER A 88 -15.528 5.897 -7.391 1.00 0.00 O ATOM 0 H SER A 88 -15.695 8.660 -4.481 1.00 0.00 H new ATOM 0 HA SER A 88 -17.172 8.508 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 88 -16.466 7.558 -8.165 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.952 7.873 -7.339 1.00 0.00 H new ATOM 0 HG SER A 88 -15.069 5.619 -6.571 1.00 0.00 H new ATOM 621 N GLY A 89 -18.014 6.319 -4.467 1.00 0.00 N ATOM 622 CA GLY A 89 -18.967 5.292 -4.089 1.00 0.00 C ATOM 623 C GLY A 89 -18.370 3.900 -4.137 1.00 0.00 C ATOM 624 O GLY A 89 -19.083 2.919 -4.352 1.00 0.00 O ATOM 0 H GLY A 89 -17.680 6.898 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.332 5.493 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.829 5.337 -4.755 1.00 0.00 H new ATOM 628 N LEU A 90 -17.060 3.811 -3.939 1.00 0.00 N ATOM 629 CA LEU A 90 -16.367 2.529 -3.961 1.00 0.00 C ATOM 630 C LEU A 90 -15.442 2.391 -2.757 1.00 0.00 C ATOM 631 O LEU A 90 -14.904 3.379 -2.259 1.00 0.00 O ATOM 632 CB LEU A 90 -15.564 2.381 -5.256 1.00 0.00 C ATOM 633 CG LEU A 90 -14.916 1.011 -5.461 1.00 0.00 C ATOM 634 CD1 LEU A 90 -15.870 0.072 -6.183 1.00 0.00 C ATOM 635 CD2 LEU A 90 -13.613 1.150 -6.234 1.00 0.00 C ATOM 0 H LEU A 90 -16.456 4.613 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.116 1.738 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -16.223 2.584 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -14.783 3.141 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 90 -14.692 0.585 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -15.392 -0.898 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -16.777 -0.051 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -16.126 0.491 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -13.165 0.166 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -13.814 1.596 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.926 1.787 -5.677 1.00 0.00 H new ATOM 647 N ASN A 91 -15.261 1.158 -2.294 1.00 0.00 N ATOM 648 CA ASN A 91 -14.400 0.892 -1.147 1.00 0.00 C ATOM 649 C ASN A 91 -12.944 0.763 -1.579 1.00 0.00 C ATOM 650 O ASN A 91 -12.583 -0.153 -2.320 1.00 0.00 O ATOM 651 CB ASN A 91 -14.847 -0.384 -0.433 1.00 0.00 C ATOM 652 CG ASN A 91 -16.290 -0.315 0.024 1.00 0.00 C ATOM 653 OD1 ASN A 91 -17.209 -0.244 -0.792 1.00 0.00 O ATOM 654 ND2 ASN A 91 -16.498 -0.335 1.335 1.00 0.00 N ATOM 0 H ASN A 91 -15.698 0.328 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.483 1.733 -0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.721 -1.235 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.204 -0.559 0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.449 -0.291 1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.707 -0.395 1.976 1.00 0.00 H new ATOM 661 N GLN A 92 -12.109 1.686 -1.113 1.00 0.00 N ATOM 662 CA GLN A 92 -10.691 1.675 -1.451 1.00 0.00 C ATOM 663 C GLN A 92 -9.840 2.044 -0.239 1.00 0.00 C ATOM 664 O GLN A 92 -10.351 2.556 0.756 1.00 0.00 O ATOM 665 CB GLN A 92 -10.411 2.648 -2.599 1.00 0.00 C ATOM 666 CG GLN A 92 -11.381 2.512 -3.762 1.00 0.00 C ATOM 667 CD GLN A 92 -10.819 3.066 -5.057 1.00 0.00 C ATOM 668 OE1 GLN A 92 -9.746 2.664 -5.503 1.00 0.00 O ATOM 669 NE2 GLN A 92 -11.545 3.996 -5.667 1.00 0.00 N ATOM 0 H GLN A 92 -12.390 2.451 -0.500 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.426 0.666 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.454 3.668 -2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.396 2.486 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.632 1.460 -3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.308 3.032 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.430 4.300 -5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.218 4.406 -6.542 1.00 0.00 H new ATOM 678 N ARG A 93 -8.541 1.782 -0.333 1.00 0.00 N ATOM 679 CA ARG A 93 -7.621 2.087 0.755 1.00 0.00 C ATOM 680 C ARG A 93 -6.366 2.776 0.228 1.00 0.00 C ATOM 681 O ARG A 93 -5.803 2.370 -0.788 1.00 0.00 O ATOM 682 CB ARG A 93 -7.240 0.810 1.505 1.00 0.00 C ATOM 683 CG ARG A 93 -8.423 -0.101 1.796 1.00 0.00 C ATOM 684 CD ARG A 93 -8.027 -1.283 2.668 1.00 0.00 C ATOM 685 NE ARG A 93 -7.168 -0.885 3.781 1.00 0.00 N ATOM 686 CZ ARG A 93 -5.839 -0.812 3.707 1.00 0.00 C ATOM 687 NH1 ARG A 93 -5.211 -1.093 2.571 1.00 0.00 N ATOM 688 NH2 ARG A 93 -5.136 -0.451 4.772 1.00 0.00 N ATOM 0 H ARG A 93 -8.102 1.359 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.125 2.765 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.504 0.260 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.760 1.080 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.207 0.470 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.840 -0.466 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.925 -1.762 3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.510 -2.024 2.059 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.612 -0.649 4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.746 -1.367 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.194 -1.035 2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.612 -0.230 5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.119 -0.395 4.717 1.00 0.00 H new ATOM 702 N PHE A 94 -5.935 3.822 0.927 1.00 0.00 N ATOM 703 CA PHE A 94 -4.748 4.569 0.529 1.00 0.00 C ATOM 704 C PHE A 94 -3.506 3.683 0.566 1.00 0.00 C ATOM 705 O PHE A 94 -3.055 3.274 1.635 1.00 0.00 O ATOM 706 CB PHE A 94 -4.551 5.780 1.443 1.00 0.00 C ATOM 707 CG PHE A 94 -3.377 6.636 1.066 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.372 7.341 -0.127 1.00 0.00 C ATOM 709 CD2 PHE A 94 -2.277 6.735 1.904 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.292 8.130 -0.477 1.00 0.00 C ATOM 711 CE2 PHE A 94 -1.194 7.522 1.558 1.00 0.00 C ATOM 712 CZ PHE A 94 -1.202 8.220 0.366 1.00 0.00 C ATOM 0 H PHE A 94 -6.390 4.171 1.771 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.895 4.914 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.455 6.389 1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.422 5.433 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.221 7.273 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.266 6.192 2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.301 8.676 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.343 7.591 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.357 8.835 0.094 1.00 0.00 H new ATOM 722 N CYS A 95 -2.956 3.393 -0.610 1.00 0.00 N ATOM 723 CA CYS A 95 -1.765 2.558 -0.711 1.00 0.00 C ATOM 724 C CYS A 95 -0.509 3.417 -0.812 1.00 0.00 C ATOM 725 O CYS A 95 -0.185 3.937 -1.881 1.00 0.00 O ATOM 726 CB CYS A 95 -1.867 1.632 -1.925 1.00 0.00 C ATOM 727 SG CYS A 95 -0.424 0.569 -2.166 1.00 0.00 S ATOM 0 H CYS A 95 -3.316 3.724 -1.505 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.697 1.951 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.752 1.006 -1.817 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.012 2.238 -2.819 1.00 0.00 H new ATOM 732 N GLN A 96 0.195 3.562 0.306 1.00 0.00 N ATOM 733 CA GLN A 96 1.416 4.356 0.342 1.00 0.00 C ATOM 734 C GLN A 96 2.475 3.773 -0.590 1.00 0.00 C ATOM 735 O GLN A 96 3.334 4.494 -1.097 1.00 0.00 O ATOM 736 CB GLN A 96 1.960 4.428 1.770 1.00 0.00 C ATOM 737 CG GLN A 96 0.974 5.015 2.768 1.00 0.00 C ATOM 738 CD GLN A 96 1.620 6.004 3.724 1.00 0.00 C ATOM 739 OE1 GLN A 96 1.349 7.204 3.664 1.00 0.00 O ATOM 740 NE2 GLN A 96 2.479 5.512 4.616 1.00 0.00 N ATOM 0 H GLN A 96 -0.060 3.140 1.199 1.00 0.00 H new ATOM 0 HA GLN A 96 1.174 5.363 0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.239 3.426 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.869 5.029 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.170 5.513 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.520 4.207 3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.678 4.512 4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.938 6.136 5.280 1.00 0.00 H new ATOM 749 N GLN A 97 2.406 2.464 -0.811 1.00 0.00 N ATOM 750 CA GLN A 97 3.359 1.783 -1.680 1.00 0.00 C ATOM 751 C GLN A 97 3.339 2.376 -3.087 1.00 0.00 C ATOM 752 O GLN A 97 4.388 2.605 -3.689 1.00 0.00 O ATOM 753 CB GLN A 97 3.047 0.285 -1.737 1.00 0.00 C ATOM 754 CG GLN A 97 4.244 -0.597 -1.425 1.00 0.00 C ATOM 755 CD GLN A 97 5.191 -0.733 -2.602 1.00 0.00 C ATOM 756 OE1 GLN A 97 6.234 -0.082 -2.653 1.00 0.00 O ATOM 757 NE2 GLN A 97 4.831 -1.584 -3.555 1.00 0.00 N ATOM 0 H GLN A 97 1.700 1.854 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 97 4.357 1.924 -1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.248 0.062 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.673 0.038 -2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.785 -0.182 -0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.894 -1.586 -1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.957 -2.103 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.428 -1.719 -4.371 1.00 0.00 H new ATOM 766 N CYS A 98 2.139 2.621 -3.604 1.00 0.00 N ATOM 767 CA CYS A 98 1.985 3.186 -4.941 1.00 0.00 C ATOM 768 C CYS A 98 1.474 4.626 -4.881 1.00 0.00 C ATOM 769 O CYS A 98 1.027 5.176 -5.885 1.00 0.00 O ATOM 770 CB CYS A 98 1.029 2.326 -5.769 1.00 0.00 C ATOM 771 SG CYS A 98 1.407 0.558 -5.732 1.00 0.00 S ATOM 0 H CYS A 98 1.261 2.438 -3.119 1.00 0.00 H new ATOM 0 HA CYS A 98 2.966 3.195 -5.416 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.013 2.477 -5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.051 2.670 -6.803 1.00 0.00 H new ATOM 776 N SER A 99 1.547 5.234 -3.699 1.00 0.00 N ATOM 777 CA SER A 99 1.097 6.611 -3.512 1.00 0.00 C ATOM 778 C SER A 99 -0.318 6.834 -4.048 1.00 0.00 C ATOM 779 O SER A 99 -0.727 7.974 -4.276 1.00 0.00 O ATOM 780 CB SER A 99 2.067 7.578 -4.197 1.00 0.00 C ATOM 781 OG SER A 99 1.821 8.916 -3.799 1.00 0.00 O ATOM 0 H SER A 99 1.914 4.794 -2.855 1.00 0.00 H new ATOM 0 HA SER A 99 1.078 6.803 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.093 7.305 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.966 7.493 -5.279 1.00 0.00 H new ATOM 0 HG SER A 99 0.857 9.090 -3.816 1.00 0.00 H new ATOM 787 N ARG A 100 -1.066 5.752 -4.243 1.00 0.00 N ATOM 788 CA ARG A 100 -2.433 5.854 -4.746 1.00 0.00 C ATOM 789 C ARG A 100 -3.374 4.956 -3.949 1.00 0.00 C ATOM 790 O ARG A 100 -2.942 4.225 -3.059 1.00 0.00 O ATOM 791 CB ARG A 100 -2.489 5.487 -6.231 1.00 0.00 C ATOM 792 CG ARG A 100 -1.895 4.126 -6.547 1.00 0.00 C ATOM 793 CD ARG A 100 -1.862 3.864 -8.044 1.00 0.00 C ATOM 794 NE ARG A 100 -3.113 3.283 -8.526 1.00 0.00 N ATOM 795 CZ ARG A 100 -4.171 3.998 -8.906 1.00 0.00 C ATOM 796 NH1 ARG A 100 -4.139 5.325 -8.863 1.00 0.00 N ATOM 797 NH2 ARG A 100 -5.266 3.384 -9.332 1.00 0.00 N ATOM 0 H ARG A 100 -0.751 4.799 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.758 6.888 -4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.527 5.506 -6.562 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.958 6.247 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.884 4.067 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.480 3.350 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.669 4.798 -8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.037 3.191 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.181 2.266 -8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.300 5.805 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.954 5.865 -9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.298 2.365 -9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.077 3.930 -9.623 1.00 0.00 H new ATOM 811 N PHE A 101 -4.661 5.020 -4.274 1.00 0.00 N ATOM 812 CA PHE A 101 -5.664 4.216 -3.584 1.00 0.00 C ATOM 813 C PHE A 101 -5.871 2.877 -4.288 1.00 0.00 C ATOM 814 O PHE A 101 -5.535 2.724 -5.462 1.00 0.00 O ATOM 815 CB PHE A 101 -6.989 4.974 -3.505 1.00 0.00 C ATOM 816 CG PHE A 101 -7.127 5.813 -2.268 1.00 0.00 C ATOM 817 CD1 PHE A 101 -6.587 7.088 -2.215 1.00 0.00 C ATOM 818 CD2 PHE A 101 -7.798 5.326 -1.156 1.00 0.00 C ATOM 819 CE1 PHE A 101 -6.714 7.862 -1.077 1.00 0.00 C ATOM 820 CE2 PHE A 101 -7.927 6.096 -0.016 1.00 0.00 C ATOM 821 CZ PHE A 101 -7.384 7.365 0.025 1.00 0.00 C ATOM 0 H PHE A 101 -5.034 5.620 -5.010 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.303 4.021 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.084 5.615 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.810 4.258 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.061 7.481 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.224 4.334 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.290 8.855 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.452 5.705 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.483 7.968 0.916 1.00 0.00 H new ATOM 831 N HIS A 102 -6.428 1.913 -3.561 1.00 0.00 N ATOM 832 CA HIS A 102 -6.682 0.588 -4.113 1.00 0.00 C ATOM 833 C HIS A 102 -8.004 0.029 -3.599 1.00 0.00 C ATOM 834 O HIS A 102 -8.348 0.199 -2.430 1.00 0.00 O ATOM 835 CB HIS A 102 -5.537 -0.362 -3.759 1.00 0.00 C ATOM 836 CG HIS A 102 -4.301 -0.136 -4.573 1.00 0.00 C ATOM 837 ND1 HIS A 102 -4.330 0.360 -5.860 1.00 0.00 N ATOM 838 CD2 HIS A 102 -2.994 -0.334 -4.278 1.00 0.00 C ATOM 839 CE1 HIS A 102 -3.095 0.456 -6.320 1.00 0.00 C ATOM 840 NE2 HIS A 102 -2.266 0.042 -5.380 1.00 0.00 N ATOM 0 H HIS A 102 -6.712 2.026 -2.588 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.746 0.678 -5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -5.293 -0.247 -2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.872 -1.390 -3.899 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.173 0.613 -6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.598 -0.716 -3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -2.812 0.813 -7.299 1.00 0.00 H new ATOM 848 N ASP A 103 -8.742 -0.639 -4.482 1.00 0.00 N ATOM 849 CA ASP A 103 -10.028 -1.223 -4.118 1.00 0.00 C ATOM 850 C ASP A 103 -9.879 -2.202 -2.958 1.00 0.00 C ATOM 851 O ASP A 103 -8.776 -2.657 -2.653 1.00 0.00 O ATOM 852 CB ASP A 103 -10.645 -1.934 -5.324 1.00 0.00 C ATOM 853 CG ASP A 103 -12.160 -1.919 -5.289 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.728 -1.845 -4.179 1.00 0.00 O ATOM 855 OD2 ASP A 103 -12.780 -1.983 -6.371 1.00 0.00 O ATOM 0 H ASP A 103 -8.471 -0.789 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.687 -0.415 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.300 -1.455 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.295 -2.966 -5.353 1.00 0.00 H new ATOM 860 N LEU A 104 -10.996 -2.521 -2.314 1.00 0.00 N ATOM 861 CA LEU A 104 -10.993 -3.446 -1.187 1.00 0.00 C ATOM 862 C LEU A 104 -10.751 -4.880 -1.653 1.00 0.00 C ATOM 863 O LEU A 104 -10.234 -5.708 -0.903 1.00 0.00 O ATOM 864 CB LEU A 104 -12.312 -3.355 -0.423 1.00 0.00 C ATOM 865 CG LEU A 104 -12.177 -2.854 1.013 1.00 0.00 C ATOM 866 CD1 LEU A 104 -11.455 -3.880 1.871 1.00 0.00 C ATOM 867 CD2 LEU A 104 -11.448 -1.519 1.045 1.00 0.00 C ATOM 0 H LEU A 104 -11.916 -2.152 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.178 -3.164 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.986 -2.691 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.778 -4.340 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.177 -2.709 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.368 -3.505 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.019 -4.813 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.460 -4.059 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.361 -1.177 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.453 -1.638 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.008 -0.785 0.465 1.00 0.00 H new ATOM 879 N GLN A 105 -11.131 -5.166 -2.895 1.00 0.00 N ATOM 880 CA GLN A 105 -10.955 -6.500 -3.461 1.00 0.00 C ATOM 881 C GLN A 105 -9.505 -6.745 -3.878 1.00 0.00 C ATOM 882 O GLN A 105 -9.153 -7.845 -4.305 1.00 0.00 O ATOM 883 CB GLN A 105 -11.881 -6.689 -4.663 1.00 0.00 C ATOM 884 CG GLN A 105 -13.247 -7.250 -4.299 1.00 0.00 C ATOM 885 CD GLN A 105 -13.571 -8.530 -5.042 1.00 0.00 C ATOM 886 OE1 GLN A 105 -13.906 -9.547 -4.434 1.00 0.00 O ATOM 887 NE2 GLN A 105 -13.472 -8.488 -6.366 1.00 0.00 N ATOM 0 H GLN A 105 -11.562 -4.493 -3.528 1.00 0.00 H new ATOM 0 HA GLN A 105 -11.211 -7.225 -2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -12.013 -5.730 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -11.402 -7.358 -5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -13.284 -7.439 -3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.011 -6.504 -4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -13.191 -7.624 -6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -13.677 -9.320 -6.919 1.00 0.00 H new ATOM 896 N GLU A 106 -8.663 -5.720 -3.752 1.00 0.00 N ATOM 897 CA GLU A 106 -7.256 -5.841 -4.119 1.00 0.00 C ATOM 898 C GLU A 106 -6.466 -6.534 -3.014 1.00 0.00 C ATOM 899 O GLU A 106 -5.524 -7.279 -3.286 1.00 0.00 O ATOM 900 CB GLU A 106 -6.660 -4.461 -4.400 1.00 0.00 C ATOM 901 CG GLU A 106 -6.800 -4.022 -5.849 1.00 0.00 C ATOM 902 CD GLU A 106 -5.525 -4.220 -6.643 1.00 0.00 C ATOM 903 OE1 GLU A 106 -4.665 -3.314 -6.622 1.00 0.00 O ATOM 904 OE2 GLU A 106 -5.385 -5.280 -7.288 1.00 0.00 O ATOM 0 H GLU A 106 -8.931 -4.801 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.192 -6.447 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.146 -3.727 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.604 -4.469 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.607 -4.584 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.084 -2.970 -5.880 1.00 0.00 H new ATOM 911 N PHE A 107 -6.856 -6.284 -1.770 1.00 0.00 N ATOM 912 CA PHE A 107 -6.185 -6.887 -0.622 1.00 0.00 C ATOM 913 C PHE A 107 -7.173 -7.150 0.510 1.00 0.00 C ATOM 914 O PHE A 107 -8.248 -6.553 0.561 1.00 0.00 O ATOM 915 CB PHE A 107 -5.047 -5.987 -0.126 1.00 0.00 C ATOM 916 CG PHE A 107 -5.286 -4.517 -0.343 1.00 0.00 C ATOM 917 CD1 PHE A 107 -6.512 -3.948 -0.037 1.00 0.00 C ATOM 918 CD2 PHE A 107 -4.283 -3.708 -0.851 1.00 0.00 C ATOM 919 CE1 PHE A 107 -6.734 -2.599 -0.235 1.00 0.00 C ATOM 920 CE2 PHE A 107 -4.499 -2.357 -1.050 1.00 0.00 C ATOM 921 CZ PHE A 107 -5.726 -1.802 -0.742 1.00 0.00 C ATOM 0 H PHE A 107 -7.633 -5.668 -1.529 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.765 -7.840 -0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.894 -6.166 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.125 -6.273 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -7.303 -4.566 0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.322 -4.137 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.694 -2.168 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.709 -1.736 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.897 -0.747 -0.897 1.00 0.00 H new ATOM 931 N ASP A 108 -6.802 -8.050 1.415 1.00 0.00 N ATOM 932 CA ASP A 108 -7.655 -8.396 2.547 1.00 0.00 C ATOM 933 C ASP A 108 -6.965 -9.409 3.456 1.00 0.00 C ATOM 934 O ASP A 108 -7.605 -10.312 3.996 1.00 0.00 O ATOM 935 CB ASP A 108 -8.991 -8.957 2.053 1.00 0.00 C ATOM 936 CG ASP A 108 -10.092 -7.915 2.053 1.00 0.00 C ATOM 937 OD1 ASP A 108 -10.494 -7.477 3.152 1.00 0.00 O ATOM 938 OD2 ASP A 108 -10.552 -7.535 0.956 1.00 0.00 O ATOM 0 H ASP A 108 -5.915 -8.554 1.387 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.843 -7.489 3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -8.866 -9.349 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.287 -9.794 2.686 1.00 0.00 H new ATOM 943 N GLU A 109 -5.656 -9.251 3.620 1.00 0.00 N ATOM 944 CA GLU A 109 -4.878 -10.151 4.464 1.00 0.00 C ATOM 945 C GLU A 109 -4.065 -9.366 5.489 1.00 0.00 C ATOM 946 O GLU A 109 -4.208 -8.150 5.609 1.00 0.00 O ATOM 947 CB GLU A 109 -3.948 -11.009 3.603 1.00 0.00 C ATOM 948 CG GLU A 109 -4.524 -12.375 3.261 1.00 0.00 C ATOM 949 CD GLU A 109 -3.719 -13.514 3.856 1.00 0.00 C ATOM 950 OE1 GLU A 109 -2.476 -13.490 3.735 1.00 0.00 O ATOM 951 OE2 GLU A 109 -4.332 -14.430 4.443 1.00 0.00 O ATOM 0 H GLU A 109 -5.112 -8.509 3.180 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.570 -10.802 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.727 -10.475 2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.002 -11.144 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.551 -12.433 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.561 -12.489 2.178 1.00 0.00 H new ATOM 958 N ALA A 110 -3.210 -10.070 6.227 1.00 0.00 N ATOM 959 CA ALA A 110 -2.373 -9.438 7.242 1.00 0.00 C ATOM 960 C ALA A 110 -1.585 -8.268 6.658 1.00 0.00 C ATOM 961 O ALA A 110 -1.259 -7.314 7.363 1.00 0.00 O ATOM 962 CB ALA A 110 -1.428 -10.460 7.855 1.00 0.00 C ATOM 0 H ALA A 110 -3.079 -11.078 6.141 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.025 -9.046 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -0.809 -9.976 8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.007 -11.259 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.790 -10.878 7.077 1.00 0.00 H new ATOM 968 N LYS A 111 -1.285 -8.350 5.366 1.00 0.00 N ATOM 969 CA LYS A 111 -0.536 -7.297 4.688 1.00 0.00 C ATOM 970 C LYS A 111 -1.336 -6.000 4.656 1.00 0.00 C ATOM 971 O LYS A 111 -2.565 -6.014 4.725 1.00 0.00 O ATOM 972 CB LYS A 111 -0.185 -7.728 3.263 1.00 0.00 C ATOM 973 CG LYS A 111 1.025 -8.643 3.185 1.00 0.00 C ATOM 974 CD LYS A 111 1.066 -9.402 1.868 1.00 0.00 C ATOM 975 CE LYS A 111 2.227 -10.382 1.826 1.00 0.00 C ATOM 976 NZ LYS A 111 3.521 -9.726 2.168 1.00 0.00 N ATOM 0 H LYS A 111 -1.548 -9.133 4.768 1.00 0.00 H new ATOM 0 HA LYS A 111 0.385 -7.123 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -1.043 -8.237 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.002 -6.840 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.936 -8.054 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.001 -9.351 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.129 -9.940 1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.154 -8.696 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.038 -11.198 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.295 -10.822 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.306 -10.372 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.626 -8.853 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.535 -9.494 3.182 1.00 0.00 H new ATOM 990 N ARG A 112 -0.631 -4.878 4.550 1.00 0.00 N ATOM 991 CA ARG A 112 -1.277 -3.571 4.507 1.00 0.00 C ATOM 992 C ARG A 112 -0.455 -2.586 3.682 1.00 0.00 C ATOM 993 O ARG A 112 -0.422 -1.391 3.975 1.00 0.00 O ATOM 994 CB ARG A 112 -1.471 -3.028 5.925 1.00 0.00 C ATOM 995 CG ARG A 112 -2.381 -1.812 5.990 1.00 0.00 C ATOM 996 CD ARG A 112 -1.886 -0.799 7.011 1.00 0.00 C ATOM 997 NE ARG A 112 -2.886 0.226 7.294 1.00 0.00 N ATOM 998 CZ ARG A 112 -3.167 1.235 6.471 1.00 0.00 C ATOM 999 NH1 ARG A 112 -2.526 1.356 5.316 1.00 0.00 N ATOM 1000 NH2 ARG A 112 -4.092 2.125 6.806 1.00 0.00 N ATOM 0 H ARG A 112 0.387 -4.848 4.492 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.252 -3.690 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.886 -3.816 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.498 -2.767 6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.434 -1.343 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.392 -2.126 6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.624 -1.314 7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.977 -0.326 6.641 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.400 0.166 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.814 0.674 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.745 2.131 4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.587 2.036 7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.308 2.898 6.176 1.00 0.00 H new ATOM 1014 N SER A 113 0.205 -3.096 2.647 1.00 0.00 N ATOM 1015 CA SER A 113 1.027 -2.261 1.780 1.00 0.00 C ATOM 1016 C SER A 113 1.149 -2.873 0.388 1.00 0.00 C ATOM 1017 O SER A 113 2.250 -3.001 -0.152 1.00 0.00 O ATOM 1018 CB SER A 113 2.417 -2.067 2.390 1.00 0.00 C ATOM 1019 OG SER A 113 2.328 -1.574 3.715 1.00 0.00 O ATOM 0 H SER A 113 0.186 -4.083 2.389 1.00 0.00 H new ATOM 0 HA SER A 113 0.541 -1.290 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.955 -3.015 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.992 -1.372 1.778 1.00 0.00 H new ATOM 0 HG SER A 113 3.229 -1.460 4.083 1.00 0.00 H new ATOM 1025 N CYS A 114 0.014 -3.249 -0.192 1.00 0.00 N ATOM 1026 CA CYS A 114 -0.004 -3.846 -1.523 1.00 0.00 C ATOM 1027 C CYS A 114 0.738 -5.179 -1.532 1.00 0.00 C ATOM 1028 O CYS A 114 1.304 -5.593 -0.521 1.00 0.00 O ATOM 1029 CB CYS A 114 0.627 -2.891 -2.537 1.00 0.00 C ATOM 1030 SG CYS A 114 -0.201 -2.852 -4.142 1.00 0.00 S ATOM 0 H CYS A 114 -0.905 -3.151 0.239 1.00 0.00 H new ATOM 0 HA CYS A 114 -1.042 -4.028 -1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 114 0.628 -1.885 -2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.669 -3.175 -2.686 1.00 0.00 H new ATOM 1035 N ARG A 115 0.730 -5.848 -2.681 1.00 0.00 N ATOM 1036 CA ARG A 115 1.404 -7.133 -2.821 1.00 0.00 C ATOM 1037 C ARG A 115 2.613 -7.018 -3.744 1.00 0.00 C ATOM 1038 O ARG A 115 3.619 -7.699 -3.551 1.00 0.00 O ATOM 1039 CB ARG A 115 0.432 -8.183 -3.365 1.00 0.00 C ATOM 1040 CG ARG A 115 -0.230 -7.782 -4.672 1.00 0.00 C ATOM 1041 CD ARG A 115 -1.499 -6.980 -4.433 1.00 0.00 C ATOM 1042 NE ARG A 115 -2.701 -7.771 -4.678 1.00 0.00 N ATOM 1043 CZ ARG A 115 -3.091 -8.173 -5.886 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -2.379 -7.859 -6.960 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -4.197 -8.892 -6.020 1.00 0.00 N ATOM 0 H ARG A 115 0.264 -5.521 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 115 1.752 -7.442 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.968 -9.120 -3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.340 -8.371 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.467 -7.193 -5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.467 -8.675 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.509 -6.615 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.502 -6.105 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.276 -8.031 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.527 -7.306 -6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.683 -8.170 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.749 -9.137 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.496 -9.200 -6.945 1.00 0.00 H new ATOM 1059 N ARG A 116 2.508 -6.152 -4.746 1.00 0.00 N ATOM 1060 CA ARG A 116 3.592 -5.946 -5.698 1.00 0.00 C ATOM 1061 C ARG A 116 4.860 -5.484 -4.989 1.00 0.00 C ATOM 1062 O ARG A 116 4.852 -4.482 -4.272 1.00 0.00 O ATOM 1063 CB ARG A 116 3.182 -4.922 -6.757 1.00 0.00 C ATOM 1064 CG ARG A 116 3.826 -5.158 -8.114 1.00 0.00 C ATOM 1065 CD ARG A 116 3.348 -4.144 -9.140 1.00 0.00 C ATOM 1066 NE ARG A 116 4.416 -3.745 -10.055 1.00 0.00 N ATOM 1067 CZ ARG A 116 5.364 -2.864 -9.747 1.00 0.00 C ATOM 1068 NH1 ARG A 116 5.383 -2.288 -8.552 1.00 0.00 N ATOM 1069 NH2 ARG A 116 6.297 -2.558 -10.638 1.00 0.00 N ATOM 0 H ARG A 116 1.681 -5.581 -4.920 1.00 0.00 H new ATOM 0 HA ARG A 116 3.798 -6.899 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 116 2.098 -4.943 -6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 116 3.447 -3.924 -6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 116 4.910 -5.098 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 116 3.592 -6.165 -8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.521 -4.568 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 116 2.963 -3.263 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 116 4.435 -4.167 -10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.668 -2.520 -7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 116 6.113 -1.613 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 116 6.287 -2.998 -11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 116 7.024 -1.883 -10.403 1.00 0.00 H new ATOM 1083 N ARG A 117 5.947 -6.220 -5.194 1.00 0.00 N ATOM 1084 CA ARG A 117 7.232 -5.892 -4.579 1.00 0.00 C ATOM 1085 C ARG A 117 7.237 -6.245 -3.097 1.00 0.00 C ATOM 1086 O ARG A 117 8.027 -7.077 -2.648 1.00 0.00 O ATOM 1087 CB ARG A 117 7.555 -4.406 -4.762 1.00 0.00 C ATOM 1088 CG ARG A 117 9.043 -4.098 -4.727 1.00 0.00 C ATOM 1089 CD ARG A 117 9.652 -4.124 -6.121 1.00 0.00 C ATOM 1090 NE ARG A 117 11.105 -4.264 -6.082 1.00 0.00 N ATOM 1091 CZ ARG A 117 11.733 -5.418 -5.875 1.00 0.00 C ATOM 1092 NH1 ARG A 117 11.040 -6.536 -5.689 1.00 0.00 N ATOM 1093 NH2 ARG A 117 13.058 -5.458 -5.857 1.00 0.00 N ATOM 0 H ARG A 117 5.965 -7.052 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 117 7.999 -6.485 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.145 -4.068 -5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.056 -3.835 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.202 -3.118 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.551 -4.825 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.224 -4.950 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.390 -3.206 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 117 11.672 -3.428 -6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.020 -6.513 -5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.528 -7.418 -5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.596 -4.604 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.539 -6.343 -5.698 1.00 0.00 H new ATOM 1107 N LEU A 118 6.353 -5.608 -2.342 1.00 0.00 N ATOM 1108 CA LEU A 118 6.248 -5.846 -0.905 1.00 0.00 C ATOM 1109 C LEU A 118 6.213 -7.340 -0.592 1.00 0.00 C ATOM 1110 O LEU A 118 6.917 -7.815 0.300 1.00 0.00 O ATOM 1111 CB LEU A 118 4.996 -5.168 -0.344 1.00 0.00 C ATOM 1112 CG LEU A 118 5.105 -4.706 1.109 1.00 0.00 C ATOM 1113 CD1 LEU A 118 5.433 -5.879 2.019 1.00 0.00 C ATOM 1114 CD2 LEU A 118 6.158 -3.615 1.242 1.00 0.00 C ATOM 0 H LEU A 118 5.693 -4.918 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 118 7.132 -5.418 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.759 -4.305 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.158 -5.861 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 118 4.142 -4.295 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.507 -5.531 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 118 4.645 -6.629 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.383 -6.320 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.223 -3.297 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.125 -4.001 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.881 -2.764 0.619 1.00 0.00 H new ATOM 1126 N ALA A 119 5.391 -8.076 -1.333 1.00 0.00 N ATOM 1127 CA ALA A 119 5.267 -9.515 -1.134 1.00 0.00 C ATOM 1128 C ALA A 119 6.410 -10.263 -1.812 1.00 0.00 C ATOM 1129 O ALA A 119 6.334 -10.591 -2.996 1.00 0.00 O ATOM 1130 CB ALA A 119 3.928 -10.009 -1.660 1.00 0.00 C ATOM 0 H ALA A 119 4.802 -7.700 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 119 5.320 -9.713 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.850 -11.085 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.120 -9.506 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.852 -9.790 -2.725 1.00 0.00 H new ATOM 1136 N GLY A 120 7.470 -10.527 -1.053 1.00 0.00 N ATOM 1137 CA GLY A 120 8.613 -11.234 -1.598 1.00 0.00 C ATOM 1138 C GLY A 120 9.494 -11.831 -0.518 1.00 0.00 C ATOM 1139 O GLY A 120 10.578 -11.318 -0.237 1.00 0.00 O ATOM 0 H GLY A 120 7.557 -10.264 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 120 8.264 -12.028 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 120 9.203 -10.549 -2.207 1.00 0.00 H new ATOM 1143 N HIS A 121 9.030 -12.919 0.086 1.00 0.00 N ATOM 1144 CA HIS A 121 9.782 -13.589 1.140 1.00 0.00 C ATOM 1145 C HIS A 121 9.679 -15.104 1.005 1.00 0.00 C ATOM 1146 O HIS A 121 10.681 -15.814 1.068 1.00 0.00 O ATOM 1147 CB HIS A 121 9.276 -13.151 2.515 1.00 0.00 C ATOM 1148 CG HIS A 121 7.784 -13.179 2.640 1.00 0.00 C ATOM 1149 ND1 HIS A 121 7.115 -14.035 3.489 1.00 0.00 N ATOM 1150 CD2 HIS A 121 6.829 -12.449 2.017 1.00 0.00 C ATOM 1151 CE1 HIS A 121 5.815 -13.831 3.383 1.00 0.00 C ATOM 1152 NE2 HIS A 121 5.616 -12.873 2.496 1.00 0.00 N ATOM 0 H HIS A 121 8.136 -13.356 -0.137 1.00 0.00 H new ATOM 0 HA HIS A 121 10.830 -13.305 1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 121 9.709 -13.800 3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 121 9.631 -12.141 2.719 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.992 -11.677 1.280 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.046 -14.358 3.928 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.707 -12.507 2.213 1.00 0.00 H new ATOM 1160 N ASN A 122 8.456 -15.593 0.818 1.00 0.00 N ATOM 1161 CA ASN A 122 8.220 -17.025 0.674 1.00 0.00 C ATOM 1162 C ASN A 122 7.338 -17.311 -0.539 1.00 0.00 C ATOM 1163 O ASN A 122 6.343 -16.625 -0.771 1.00 0.00 O ATOM 1164 CB ASN A 122 7.566 -17.585 1.940 1.00 0.00 C ATOM 1165 CG ASN A 122 8.552 -18.327 2.820 1.00 0.00 C ATOM 1166 OD1 ASN A 122 8.570 -19.559 2.850 1.00 0.00 O ATOM 1167 ND2 ASN A 122 9.380 -17.581 3.541 1.00 0.00 N ATOM 0 H ASN A 122 7.615 -15.019 0.763 1.00 0.00 H new ATOM 0 HA ASN A 122 9.182 -17.514 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 122 7.120 -16.768 2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 122 6.755 -18.258 1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 122 10.066 -18.025 4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 122 9.330 -16.564 3.485 1.00 0.00 H new ATOM 1174 N GLU A 123 7.711 -18.329 -1.306 1.00 0.00 N ATOM 1175 CA GLU A 123 6.956 -18.708 -2.494 1.00 0.00 C ATOM 1176 C GLU A 123 6.680 -20.210 -2.505 1.00 0.00 C ATOM 1177 O GLU A 123 7.320 -20.972 -1.782 1.00 0.00 O ATOM 1178 CB GLU A 123 7.716 -18.308 -3.759 1.00 0.00 C ATOM 1179 CG GLU A 123 6.819 -17.789 -4.870 1.00 0.00 C ATOM 1180 CD GLU A 123 7.504 -17.787 -6.222 1.00 0.00 C ATOM 1181 OE1 GLU A 123 8.752 -17.737 -6.255 1.00 0.00 O ATOM 1182 OE2 GLU A 123 6.794 -17.835 -7.249 1.00 0.00 O ATOM 0 H GLU A 123 8.532 -18.907 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 123 6.003 -18.180 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.447 -17.541 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 123 8.273 -19.170 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.921 -18.404 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.498 -16.776 -4.629 1.00 0.00 H new ATOM 1189 N ARG A 124 5.724 -20.626 -3.329 1.00 0.00 N ATOM 1190 CA ARG A 124 5.367 -22.035 -3.431 1.00 0.00 C ATOM 1191 C ARG A 124 5.834 -22.622 -4.760 1.00 0.00 C ATOM 1192 O ARG A 124 6.166 -23.804 -4.844 1.00 0.00 O ATOM 1193 CB ARG A 124 3.854 -22.213 -3.282 1.00 0.00 C ATOM 1194 CG ARG A 124 3.046 -21.571 -4.399 1.00 0.00 C ATOM 1195 CD ARG A 124 2.773 -20.101 -4.118 1.00 0.00 C ATOM 1196 NE ARG A 124 1.363 -19.854 -3.828 1.00 0.00 N ATOM 1197 CZ ARG A 124 0.787 -18.657 -3.909 1.00 0.00 C ATOM 1198 NH1 ARG A 124 1.496 -17.595 -4.272 1.00 0.00 N ATOM 1199 NH2 ARG A 124 -0.502 -18.520 -3.627 1.00 0.00 N ATOM 0 H ARG A 124 5.184 -20.008 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 124 5.869 -22.569 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.625 -23.278 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 124 3.540 -21.788 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.585 -21.668 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.101 -22.101 -4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 124 3.380 -19.774 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.076 -19.505 -4.978 1.00 0.00 H new ATOM 0 HE ARG A 124 0.785 -20.646 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 124 2.487 -17.694 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.049 -16.680 -4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -1.052 -19.332 -3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -0.943 -17.602 -3.689 1.00 0.00 H new ATOM 1213 N ARG A 125 5.859 -21.788 -5.795 1.00 0.00 N ATOM 1214 CA ARG A 125 6.286 -22.225 -7.119 1.00 0.00 C ATOM 1215 C ARG A 125 5.454 -23.411 -7.599 1.00 0.00 C ATOM 1216 O ARG A 125 4.518 -23.838 -6.923 1.00 0.00 O ATOM 1217 CB ARG A 125 7.769 -22.600 -7.100 1.00 0.00 C ATOM 1218 CG ARG A 125 8.655 -21.543 -6.464 1.00 0.00 C ATOM 1219 CD ARG A 125 10.094 -21.657 -6.943 1.00 0.00 C ATOM 1220 NE ARG A 125 10.650 -20.359 -7.319 1.00 0.00 N ATOM 1221 CZ ARG A 125 11.889 -20.187 -7.773 1.00 0.00 C ATOM 1222 NH1 ARG A 125 12.704 -21.225 -7.907 1.00 0.00 N ATOM 1223 NH2 ARG A 125 12.314 -18.972 -8.093 1.00 0.00 N ATOM 0 H ARG A 125 5.589 -20.806 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 125 6.136 -21.398 -7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.891 -23.538 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 125 8.104 -22.776 -8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.269 -20.552 -6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.623 -21.645 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 125 10.704 -22.098 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 125 10.139 -22.332 -7.798 1.00 0.00 H new ATOM 0 HE ARG A 125 10.053 -19.537 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 125 12.382 -22.161 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 125 13.653 -21.087 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.691 -18.171 -7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.264 -18.839 -8.441 1.00 0.00 H new ATOM 1237 N ARG A 126 5.801 -23.938 -8.768 1.00 0.00 N ATOM 1238 CA ARG A 126 5.086 -25.075 -9.336 1.00 0.00 C ATOM 1239 C ARG A 126 5.940 -25.789 -10.381 1.00 0.00 C ATOM 1240 O ARG A 126 5.884 -25.465 -11.567 1.00 0.00 O ATOM 1241 CB ARG A 126 3.770 -24.614 -9.964 1.00 0.00 C ATOM 1242 CG ARG A 126 2.769 -25.740 -10.171 1.00 0.00 C ATOM 1243 CD ARG A 126 1.733 -25.777 -9.060 1.00 0.00 C ATOM 1244 NE ARG A 126 1.223 -27.127 -8.832 1.00 0.00 N ATOM 1245 CZ ARG A 126 1.864 -28.052 -8.121 1.00 0.00 C ATOM 1246 NH1 ARG A 126 3.038 -27.778 -7.566 1.00 0.00 N ATOM 1247 NH2 ARG A 126 1.329 -29.255 -7.964 1.00 0.00 N ATOM 0 H ARG A 126 6.573 -23.596 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 126 4.870 -25.776 -8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.321 -23.851 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.980 -24.144 -10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 126 2.269 -25.612 -11.131 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.296 -26.693 -10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 126 2.175 -25.396 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.905 -25.115 -9.314 1.00 0.00 H new ATOM 0 HE ARG A 126 0.323 -27.375 -9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.454 -26.854 -7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.524 -28.491 -7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 126 0.427 -29.471 -8.388 1.00 0.00 H new ATOM 0 HH22 ARG A 126 1.820 -29.964 -7.419 1.00 0.00 H new ATOM 1261 N LYS A 127 6.725 -26.760 -9.931 1.00 0.00 N ATOM 1262 CA LYS A 127 7.589 -27.522 -10.827 1.00 0.00 C ATOM 1263 C LYS A 127 7.517 -29.013 -10.513 1.00 0.00 C ATOM 1264 O LYS A 127 7.479 -29.412 -9.349 1.00 0.00 O ATOM 1265 CB LYS A 127 9.035 -27.029 -10.716 1.00 0.00 C ATOM 1266 CG LYS A 127 9.528 -26.308 -11.960 1.00 0.00 C ATOM 1267 CD LYS A 127 10.885 -26.826 -12.413 1.00 0.00 C ATOM 1268 CE LYS A 127 10.891 -27.156 -13.898 1.00 0.00 C ATOM 1269 NZ LYS A 127 9.960 -28.272 -14.222 1.00 0.00 N ATOM 0 H LYS A 127 6.782 -27.039 -8.952 1.00 0.00 H new ATOM 0 HA LYS A 127 7.240 -27.369 -11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.117 -26.358 -9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.686 -27.880 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.804 -26.435 -12.765 1.00 0.00 H new ATOM 0 HG3 LYS A 127 9.596 -25.239 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 127 11.649 -26.078 -12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.145 -27.717 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.609 -26.271 -14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.901 -27.425 -14.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.266 -28.735 -15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.965 -28.965 -13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.998 -27.897 -14.344 1.00 0.00 H new ATOM 1283 N SER A 128 7.499 -29.833 -11.558 1.00 0.00 N ATOM 1284 CA SER A 128 7.432 -31.280 -11.395 1.00 0.00 C ATOM 1285 C SER A 128 8.732 -31.940 -11.838 1.00 0.00 C ATOM 1286 O SER A 128 8.722 -32.996 -12.469 1.00 0.00 O ATOM 1287 CB SER A 128 6.257 -31.850 -12.194 1.00 0.00 C ATOM 1288 OG SER A 128 5.111 -31.026 -12.074 1.00 0.00 O ATOM 0 H SER A 128 7.530 -29.519 -12.528 1.00 0.00 H new ATOM 0 HA SER A 128 7.281 -31.494 -10.337 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.536 -31.939 -13.244 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.025 -32.854 -11.839 1.00 0.00 H new ATOM 0 HG SER A 128 4.375 -31.411 -12.595 1.00 0.00 H new ATOM 1294 N SER A 129 9.854 -31.310 -11.503 1.00 0.00 N ATOM 1295 CA SER A 129 11.165 -31.835 -11.867 1.00 0.00 C ATOM 1296 C SER A 129 11.441 -33.152 -11.148 1.00 0.00 C ATOM 1297 O SER A 129 10.802 -33.470 -10.145 1.00 0.00 O ATOM 1298 CB SER A 129 12.256 -30.818 -11.529 1.00 0.00 C ATOM 1299 OG SER A 129 12.543 -29.989 -12.642 1.00 0.00 O ATOM 0 H SER A 129 9.881 -30.435 -10.980 1.00 0.00 H new ATOM 0 HA SER A 129 11.170 -32.019 -12.941 1.00 0.00 H new ATOM 0 HB2 SER A 129 11.937 -30.204 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 129 13.161 -31.340 -11.218 1.00 0.00 H new ATOM 0 HG SER A 129 13.242 -29.347 -12.400 1.00 0.00 H new ATOM 1305 N GLY A 130 12.396 -33.915 -11.669 1.00 0.00 N ATOM 1306 CA GLY A 130 12.739 -35.189 -11.064 1.00 0.00 C ATOM 1307 C GLY A 130 14.160 -35.615 -11.377 1.00 0.00 C ATOM 1308 O GLY A 130 14.484 -35.930 -12.522 1.00 0.00 O ATOM 0 H GLY A 130 12.938 -33.674 -12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 130 12.613 -35.120 -9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 130 12.047 -35.954 -11.418 1.00 0.00 H new ATOM 1312 N GLU A 131 15.011 -35.626 -10.356 1.00 0.00 N ATOM 1313 CA GLU A 131 16.405 -36.017 -10.527 1.00 0.00 C ATOM 1314 C GLU A 131 17.111 -35.096 -11.517 1.00 0.00 C ATOM 1315 O GLU A 131 17.896 -34.236 -11.067 1.00 0.00 O ATOM 1316 CB GLU A 131 16.494 -37.466 -11.009 1.00 0.00 C ATOM 1317 CG GLU A 131 15.913 -38.471 -10.028 1.00 0.00 C ATOM 1318 CD GLU A 131 14.397 -38.466 -10.019 1.00 0.00 C ATOM 1319 OE1 GLU A 131 13.794 -39.076 -10.927 1.00 0.00 O ATOM 1320 OE2 GLU A 131 13.811 -37.850 -9.102 1.00 0.00 O ATOM 0 H GLU A 131 14.759 -35.369 -9.402 1.00 0.00 H new ATOM 0 HA GLU A 131 16.902 -35.931 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.971 -37.556 -11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 131 17.539 -37.715 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.268 -39.469 -10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.280 -38.249 -9.026 1.00 0.00 H new TER 1327 GLU A 131 HETATM 1328 ZN ZN A 138 -9.272 14.092 3.175 1.00 0.00 ZN HETATM 1329 ZN ZN A 139 -0.428 -0.426 -4.427 1.00 0.00 ZN