USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=10 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 84 SER OG : rot -16:sc= 1.75 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.0606 X(o=1.7,f=1.3) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 170:sc= -0.329 (180deg=-0.775) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-2!) USER MOD Single : A 73 HIS : no HD1:sc= -0.528 K(o=-0.53,f=0.0088) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.974 K(o=-0.97,f=-2!) USER MOD Single : A 96 GLN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 99 SER OG : rot -41:sc= 0.29 USER MOD Single : A 105 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.43) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-1.3) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -7.772 24.688 2.296 1.00 0.00 N ATOM 2 CA LEU A 51 -7.467 24.332 0.885 1.00 0.00 C ATOM 3 C LEU A 51 -8.147 23.025 0.487 1.00 0.00 C ATOM 4 O LEU A 51 -7.847 21.965 1.037 1.00 0.00 O ATOM 5 CB LEU A 51 -5.948 24.210 0.731 1.00 0.00 C ATOM 6 CG LEU A 51 -5.297 25.292 -0.133 1.00 0.00 C ATOM 7 CD1 LEU A 51 -5.783 25.190 -1.570 1.00 0.00 C ATOM 8 CD2 LEU A 51 -5.588 26.672 0.433 1.00 0.00 C ATOM 0 HA LEU A 51 -7.849 25.112 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.494 24.235 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.719 23.235 0.300 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.218 25.138 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.310 25.967 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.523 24.211 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.865 25.318 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.117 27.429 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.665 26.837 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.190 26.741 1.446 1.00 0.00 H new ATOM 20 N ARG A 52 -9.061 23.108 -0.473 1.00 0.00 N ATOM 21 CA ARG A 52 -9.783 21.932 -0.946 1.00 0.00 C ATOM 22 C ARG A 52 -9.097 21.331 -2.168 1.00 0.00 C ATOM 23 O ARG A 52 -9.412 21.685 -3.305 1.00 0.00 O ATOM 24 CB ARG A 52 -11.231 22.297 -1.282 1.00 0.00 C ATOM 25 CG ARG A 52 -12.224 21.901 -0.202 1.00 0.00 C ATOM 26 CD ARG A 52 -12.780 20.508 -0.442 1.00 0.00 C ATOM 27 NE ARG A 52 -14.063 20.307 0.228 1.00 0.00 N ATOM 28 CZ ARG A 52 -15.223 20.759 -0.241 1.00 0.00 C ATOM 29 NH1 ARG A 52 -15.268 21.438 -1.381 1.00 0.00 N ATOM 30 NH2 ARG A 52 -16.344 20.531 0.430 1.00 0.00 N ATOM 0 H ARG A 52 -9.320 23.977 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.782 21.188 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.297 23.372 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.511 21.812 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.737 21.937 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.042 22.621 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.901 20.346 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.065 19.766 -0.086 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.070 19.790 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.410 21.616 -1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.161 21.782 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.317 20.009 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.233 20.878 0.070 1.00 0.00 H new ATOM 44 N LEU A 53 -8.157 20.423 -1.928 1.00 0.00 N ATOM 45 CA LEU A 53 -7.425 19.776 -3.009 1.00 0.00 C ATOM 46 C LEU A 53 -7.361 18.265 -2.801 1.00 0.00 C ATOM 47 O LEU A 53 -6.490 17.591 -3.351 1.00 0.00 O ATOM 48 CB LEU A 53 -6.011 20.349 -3.111 1.00 0.00 C ATOM 49 CG LEU A 53 -5.910 21.861 -2.899 1.00 0.00 C ATOM 50 CD1 LEU A 53 -4.546 22.232 -2.336 1.00 0.00 C ATOM 51 CD2 LEU A 53 -6.169 22.599 -4.204 1.00 0.00 C ATOM 0 H LEU A 53 -7.884 20.119 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.957 19.972 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.379 19.851 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.607 20.107 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.671 22.160 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.493 23.311 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.399 21.731 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.768 21.920 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.093 23.673 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.431 22.295 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.168 22.358 -4.566 1.00 0.00 H new ATOM 63 N CYS A 54 -8.288 17.738 -2.006 1.00 0.00 N ATOM 64 CA CYS A 54 -8.334 16.307 -1.728 1.00 0.00 C ATOM 65 C CYS A 54 -9.107 15.567 -2.814 1.00 0.00 C ATOM 66 O CYS A 54 -10.234 15.934 -3.149 1.00 0.00 O ATOM 67 CB CYS A 54 -8.980 16.053 -0.365 1.00 0.00 C ATOM 68 SG CYS A 54 -9.112 14.305 0.081 1.00 0.00 S ATOM 0 H CYS A 54 -9.017 18.281 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.311 15.931 -1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.400 16.569 0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.977 16.493 -0.361 1.00 0.00 H new ATOM 73 N GLN A 55 -8.496 14.520 -3.362 1.00 0.00 N ATOM 74 CA GLN A 55 -9.130 13.729 -4.409 1.00 0.00 C ATOM 75 C GLN A 55 -10.432 13.113 -3.907 1.00 0.00 C ATOM 76 O GLN A 55 -11.404 12.997 -4.654 1.00 0.00 O ATOM 77 CB GLN A 55 -8.183 12.627 -4.889 1.00 0.00 C ATOM 78 CG GLN A 55 -7.611 11.782 -3.763 1.00 0.00 C ATOM 79 CD GLN A 55 -6.153 11.427 -3.983 1.00 0.00 C ATOM 80 OE1 GLN A 55 -5.798 10.809 -4.986 1.00 0.00 O ATOM 81 NE2 GLN A 55 -5.301 11.817 -3.044 1.00 0.00 N ATOM 0 H GLN A 55 -7.564 14.201 -3.098 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.358 14.391 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.717 11.978 -5.584 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.362 13.081 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.712 12.322 -2.821 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.194 10.866 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.640 12.327 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.307 11.606 -3.138 1.00 0.00 H new ATOM 90 N VAL A 56 -10.444 12.724 -2.636 1.00 0.00 N ATOM 91 CA VAL A 56 -11.626 12.123 -2.030 1.00 0.00 C ATOM 92 C VAL A 56 -12.795 13.102 -2.021 1.00 0.00 C ATOM 93 O VAL A 56 -12.685 14.211 -1.499 1.00 0.00 O ATOM 94 CB VAL A 56 -11.349 11.664 -0.586 1.00 0.00 C ATOM 95 CG1 VAL A 56 -12.492 10.807 -0.069 1.00 0.00 C ATOM 96 CG2 VAL A 56 -10.030 10.911 -0.507 1.00 0.00 C ATOM 0 H VAL A 56 -9.647 12.815 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.883 11.254 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.274 12.548 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.278 10.492 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.416 11.385 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.603 9.928 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.852 10.595 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.072 10.035 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.219 11.563 -0.832 1.00 0.00 H new ATOM 106 N ASP A 57 -13.915 12.683 -2.601 1.00 0.00 N ATOM 107 CA ASP A 57 -15.105 13.524 -2.657 1.00 0.00 C ATOM 108 C ASP A 57 -15.847 13.503 -1.327 1.00 0.00 C ATOM 109 O ASP A 57 -15.673 12.589 -0.520 1.00 0.00 O ATOM 110 CB ASP A 57 -16.033 13.057 -3.781 1.00 0.00 C ATOM 111 CG ASP A 57 -15.466 13.348 -5.157 1.00 0.00 C ATOM 112 OD1 ASP A 57 -15.375 14.539 -5.522 1.00 0.00 O ATOM 113 OD2 ASP A 57 -15.115 12.384 -5.870 1.00 0.00 O ATOM 0 H ASP A 57 -14.023 11.768 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.788 14.547 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.208 11.986 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.000 13.549 -3.678 1.00 0.00 H new ATOM 118 N ARG A 58 -16.679 14.516 -1.102 1.00 0.00 N ATOM 119 CA ARG A 58 -17.453 14.617 0.129 1.00 0.00 C ATOM 120 C ARG A 58 -16.543 14.764 1.347 1.00 0.00 C ATOM 121 O ARG A 58 -16.943 14.460 2.470 1.00 0.00 O ATOM 122 CB ARG A 58 -18.352 13.391 0.296 1.00 0.00 C ATOM 123 CG ARG A 58 -19.734 13.561 -0.315 1.00 0.00 C ATOM 124 CD ARG A 58 -19.769 13.083 -1.757 1.00 0.00 C ATOM 125 NE ARG A 58 -20.943 13.580 -2.471 1.00 0.00 N ATOM 126 CZ ARG A 58 -21.405 13.049 -3.600 1.00 0.00 C ATOM 127 NH1 ARG A 58 -20.794 12.006 -4.150 1.00 0.00 N ATOM 128 NH2 ARG A 58 -22.478 13.562 -4.184 1.00 0.00 N ATOM 0 H ARG A 58 -16.834 15.280 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.074 15.510 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.865 12.529 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -18.458 13.171 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.463 13.003 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.025 14.610 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.866 13.413 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.767 11.993 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.438 14.382 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.966 11.608 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.153 11.603 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -22.950 14.365 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -22.832 13.154 -5.050 1.00 0.00 H new ATOM 142 N CYS A 59 -15.319 15.235 1.120 1.00 0.00 N ATOM 143 CA CYS A 59 -14.362 15.422 2.205 1.00 0.00 C ATOM 144 C CYS A 59 -14.564 16.780 2.875 1.00 0.00 C ATOM 145 O CYS A 59 -14.693 17.801 2.201 1.00 0.00 O ATOM 146 CB CYS A 59 -12.930 15.307 1.678 1.00 0.00 C ATOM 147 SG CYS A 59 -11.660 15.467 2.954 1.00 0.00 S ATOM 0 H CYS A 59 -14.968 15.493 0.198 1.00 0.00 H new ATOM 0 HA CYS A 59 -14.530 14.640 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.813 14.343 1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.769 16.076 0.922 1.00 0.00 H new ATOM 152 N THR A 60 -14.596 16.782 4.204 1.00 0.00 N ATOM 153 CA THR A 60 -14.790 18.014 4.961 1.00 0.00 C ATOM 154 C THR A 60 -13.613 18.290 5.892 1.00 0.00 C ATOM 155 O THR A 60 -13.770 18.922 6.936 1.00 0.00 O ATOM 156 CB THR A 60 -16.085 17.962 5.796 1.00 0.00 C ATOM 157 OG1 THR A 60 -16.257 16.654 6.351 1.00 0.00 O ATOM 158 CG2 THR A 60 -17.292 18.321 4.943 1.00 0.00 C ATOM 0 H THR A 60 -14.490 15.946 4.778 1.00 0.00 H new ATOM 0 HA THR A 60 -14.864 18.819 4.230 1.00 0.00 H new ATOM 0 HB THR A 60 -16.002 18.690 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 60 -17.081 16.629 6.881 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.194 18.278 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.170 19.329 4.546 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.378 17.614 4.118 1.00 0.00 H new ATOM 166 N ALA A 61 -12.433 17.816 5.504 1.00 0.00 N ATOM 167 CA ALA A 61 -11.230 18.016 6.303 1.00 0.00 C ATOM 168 C ALA A 61 -10.518 19.305 5.905 1.00 0.00 C ATOM 169 O ALA A 61 -10.391 19.614 4.719 1.00 0.00 O ATOM 170 CB ALA A 61 -10.293 16.825 6.158 1.00 0.00 C ATOM 0 H ALA A 61 -12.285 17.291 4.642 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.527 18.102 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.400 16.989 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.798 15.921 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.009 16.711 5.112 1.00 0.00 H new ATOM 176 N ASP A 62 -10.059 20.055 6.900 1.00 0.00 N ATOM 177 CA ASP A 62 -9.362 21.312 6.650 1.00 0.00 C ATOM 178 C ASP A 62 -7.850 21.113 6.668 1.00 0.00 C ATOM 179 O ASP A 62 -7.282 20.685 7.673 1.00 0.00 O ATOM 180 CB ASP A 62 -9.763 22.358 7.693 1.00 0.00 C ATOM 181 CG ASP A 62 -9.816 23.759 7.115 1.00 0.00 C ATOM 182 OD1 ASP A 62 -8.743 24.302 6.778 1.00 0.00 O ATOM 183 OD2 ASP A 62 -10.929 24.313 7.001 1.00 0.00 O ATOM 0 H ASP A 62 -10.157 19.815 7.887 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.650 21.665 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.739 22.101 8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.052 22.335 8.519 1.00 0.00 H new ATOM 188 N MET A 63 -7.203 21.429 5.551 1.00 0.00 N ATOM 189 CA MET A 63 -5.757 21.286 5.439 1.00 0.00 C ATOM 190 C MET A 63 -5.072 22.649 5.469 1.00 0.00 C ATOM 191 O MET A 63 -4.095 22.881 4.758 1.00 0.00 O ATOM 192 CB MET A 63 -5.394 20.548 4.148 1.00 0.00 C ATOM 193 CG MET A 63 -6.131 19.231 3.972 1.00 0.00 C ATOM 194 SD MET A 63 -5.824 18.470 2.367 1.00 0.00 S ATOM 195 CE MET A 63 -4.065 18.150 2.474 1.00 0.00 C ATOM 0 H MET A 63 -7.658 21.786 4.711 1.00 0.00 H new ATOM 0 HA MET A 63 -5.407 20.704 6.292 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.612 21.193 3.297 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.321 20.358 4.137 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.828 18.542 4.760 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.201 19.400 4.091 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.757 17.524 1.636 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.521 19.094 2.441 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.845 17.637 3.410 1.00 0.00 H new ATOM 205 N LYS A 64 -5.594 23.547 6.299 1.00 0.00 N ATOM 206 CA LYS A 64 -5.035 24.888 6.425 1.00 0.00 C ATOM 207 C LYS A 64 -3.578 24.831 6.874 1.00 0.00 C ATOM 208 O LYS A 64 -2.762 25.660 6.473 1.00 0.00 O ATOM 209 CB LYS A 64 -5.855 25.713 7.418 1.00 0.00 C ATOM 210 CG LYS A 64 -5.646 27.213 7.282 1.00 0.00 C ATOM 211 CD LYS A 64 -6.559 27.812 6.223 1.00 0.00 C ATOM 212 CE LYS A 64 -7.333 29.004 6.762 1.00 0.00 C ATOM 213 NZ LYS A 64 -8.581 29.252 5.987 1.00 0.00 N ATOM 0 H LYS A 64 -6.403 23.370 6.894 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.076 25.365 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.912 25.488 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.595 25.409 8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.835 27.696 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.606 27.414 7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.965 28.121 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.257 27.052 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.584 28.831 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.702 29.892 6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.080 30.073 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.340 29.442 4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.195 28.414 6.040 1.00 0.00 H new ATOM 227 N GLU A 65 -3.261 23.847 7.710 1.00 0.00 N ATOM 228 CA GLU A 65 -1.901 23.682 8.212 1.00 0.00 C ATOM 229 C GLU A 65 -1.459 22.224 8.120 1.00 0.00 C ATOM 230 O GLU A 65 -1.476 21.496 9.113 1.00 0.00 O ATOM 231 CB GLU A 65 -1.812 24.163 9.662 1.00 0.00 C ATOM 232 CG GLU A 65 -2.363 25.564 9.872 1.00 0.00 C ATOM 233 CD GLU A 65 -2.802 25.807 11.302 1.00 0.00 C ATOM 234 OE1 GLU A 65 -3.641 25.033 11.808 1.00 0.00 O ATOM 235 OE2 GLU A 65 -2.306 26.774 11.919 1.00 0.00 O ATOM 0 H GLU A 65 -3.925 23.153 8.053 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.235 24.283 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.356 23.468 10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.770 24.140 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.601 26.295 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.209 25.722 9.204 1.00 0.00 H new ATOM 242 N ALA A 66 -1.063 21.806 6.923 1.00 0.00 N ATOM 243 CA ALA A 66 -0.616 20.436 6.700 1.00 0.00 C ATOM 244 C ALA A 66 0.854 20.398 6.296 1.00 0.00 C ATOM 245 O ALA A 66 1.455 21.432 6.001 1.00 0.00 O ATOM 246 CB ALA A 66 -1.474 19.766 5.640 1.00 0.00 C ATOM 0 H ALA A 66 -1.042 22.397 6.092 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.723 19.888 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.128 18.744 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.513 19.751 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.397 20.321 4.705 1.00 0.00 H new ATOM 252 N LYS A 67 1.428 19.198 6.284 1.00 0.00 N ATOM 253 CA LYS A 67 2.828 19.025 5.915 1.00 0.00 C ATOM 254 C LYS A 67 2.982 18.926 4.399 1.00 0.00 C ATOM 255 O LYS A 67 2.004 18.743 3.676 1.00 0.00 O ATOM 256 CB LYS A 67 3.401 17.773 6.586 1.00 0.00 C ATOM 257 CG LYS A 67 4.457 18.076 7.636 1.00 0.00 C ATOM 258 CD LYS A 67 4.422 17.065 8.770 1.00 0.00 C ATOM 259 CE LYS A 67 3.299 17.365 9.751 1.00 0.00 C ATOM 260 NZ LYS A 67 3.795 18.071 10.965 1.00 0.00 N ATOM 0 H LYS A 67 0.945 18.333 6.525 1.00 0.00 H new ATOM 0 HA LYS A 67 3.383 19.898 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.588 17.215 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.835 17.127 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.444 18.071 7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.298 19.078 8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.291 16.063 8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.377 17.073 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.542 17.976 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.815 16.433 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.999 18.257 11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.499 17.478 11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.234 18.972 10.688 1.00 0.00 H new ATOM 274 N LEU A 68 4.219 19.048 3.927 1.00 0.00 N ATOM 275 CA LEU A 68 4.502 18.972 2.497 1.00 0.00 C ATOM 276 C LEU A 68 4.182 17.585 1.942 1.00 0.00 C ATOM 277 O LEU A 68 4.039 17.412 0.731 1.00 0.00 O ATOM 278 CB LEU A 68 5.969 19.312 2.229 1.00 0.00 C ATOM 279 CG LEU A 68 6.279 19.755 0.797 1.00 0.00 C ATOM 280 CD1 LEU A 68 6.048 21.251 0.641 1.00 0.00 C ATOM 281 CD2 LEU A 68 7.710 19.393 0.427 1.00 0.00 C ATOM 0 H LEU A 68 5.040 19.200 4.512 1.00 0.00 H new ATOM 0 HA LEU A 68 3.865 19.698 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.273 20.105 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.577 18.438 2.463 1.00 0.00 H new ATOM 0 HG LEU A 68 5.605 19.231 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.273 21.549 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.007 21.484 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.698 21.793 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.914 19.715 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.399 19.891 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.843 18.314 0.501 1.00 0.00 H new ATOM 293 N TYR A 69 4.073 16.601 2.829 1.00 0.00 N ATOM 294 CA TYR A 69 3.773 15.234 2.419 1.00 0.00 C ATOM 295 C TYR A 69 2.281 15.060 2.151 1.00 0.00 C ATOM 296 O TYR A 69 1.880 14.229 1.335 1.00 0.00 O ATOM 297 CB TYR A 69 4.229 14.246 3.493 1.00 0.00 C ATOM 298 CG TYR A 69 3.995 12.799 3.125 1.00 0.00 C ATOM 299 CD1 TYR A 69 2.752 12.207 3.307 1.00 0.00 C ATOM 300 CD2 TYR A 69 5.018 12.023 2.594 1.00 0.00 C ATOM 301 CE1 TYR A 69 2.534 10.884 2.972 1.00 0.00 C ATOM 302 CE2 TYR A 69 4.809 10.700 2.256 1.00 0.00 C ATOM 303 CZ TYR A 69 3.566 10.135 2.447 1.00 0.00 C ATOM 304 OH TYR A 69 3.354 8.818 2.112 1.00 0.00 O ATOM 0 H TYR A 69 4.188 16.725 3.835 1.00 0.00 H new ATOM 0 HA TYR A 69 4.315 15.031 1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.292 14.396 3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.703 14.465 4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.941 12.791 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.993 12.462 2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.561 10.439 3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.615 10.111 1.844 1.00 0.00 H new ATOM 0 HH TYR A 69 4.182 8.434 1.755 1.00 0.00 H new ATOM 314 N HIS A 70 1.462 15.847 2.841 1.00 0.00 N ATOM 315 CA HIS A 70 0.015 15.777 2.675 1.00 0.00 C ATOM 316 C HIS A 70 -0.478 16.857 1.718 1.00 0.00 C ATOM 317 O HIS A 70 -1.492 16.684 1.041 1.00 0.00 O ATOM 318 CB HIS A 70 -0.681 15.920 4.029 1.00 0.00 C ATOM 319 CG HIS A 70 -0.531 14.719 4.910 1.00 0.00 C ATOM 320 ND1 HIS A 70 0.046 14.772 6.161 1.00 0.00 N ATOM 321 CD2 HIS A 70 -0.889 13.428 4.716 1.00 0.00 C ATOM 322 CE1 HIS A 70 0.038 13.564 6.699 1.00 0.00 C ATOM 323 NE2 HIS A 70 -0.524 12.732 5.842 1.00 0.00 N ATOM 0 H HIS A 70 1.776 16.540 3.520 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.230 14.804 2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.278 16.791 4.545 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.742 16.109 3.865 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.371 13.021 3.839 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.425 13.303 7.673 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.665 11.733 5.992 1.00 0.00 H new ATOM 331 N ARG A 71 0.242 17.973 1.666 1.00 0.00 N ATOM 332 CA ARG A 71 -0.126 19.081 0.792 1.00 0.00 C ATOM 333 C ARG A 71 0.323 18.818 -0.643 1.00 0.00 C ATOM 334 O ARG A 71 -0.320 19.264 -1.594 1.00 0.00 O ATOM 335 CB ARG A 71 0.492 20.386 1.303 1.00 0.00 C ATOM 336 CG ARG A 71 -0.514 21.317 1.961 1.00 0.00 C ATOM 337 CD ARG A 71 0.175 22.485 2.647 1.00 0.00 C ATOM 338 NE ARG A 71 0.680 23.465 1.687 1.00 0.00 N ATOM 339 CZ ARG A 71 -0.081 24.379 1.090 1.00 0.00 C ATOM 340 NH1 ARG A 71 -1.382 24.440 1.346 1.00 0.00 N ATOM 341 NH2 ARG A 71 0.459 25.233 0.232 1.00 0.00 N ATOM 0 H ARG A 71 1.084 18.134 2.219 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.212 19.172 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.279 20.150 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.965 20.906 0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.209 21.693 1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.103 20.761 2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.526 22.971 3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.001 22.113 3.253 1.00 0.00 H new ATOM 0 HE ARG A 71 1.675 23.447 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.804 23.784 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.960 25.143 0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.458 25.190 0.029 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.124 25.934 -0.226 1.00 0.00 H new ATOM 355 N ARG A 72 1.426 18.094 -0.790 1.00 0.00 N ATOM 356 CA ARG A 72 1.958 17.775 -2.110 1.00 0.00 C ATOM 357 C ARG A 72 1.128 16.690 -2.787 1.00 0.00 C ATOM 358 O ARG A 72 0.699 16.844 -3.931 1.00 0.00 O ATOM 359 CB ARG A 72 3.415 17.322 -2.001 1.00 0.00 C ATOM 360 CG ARG A 72 4.075 17.071 -3.346 1.00 0.00 C ATOM 361 CD ARG A 72 4.964 15.838 -3.314 1.00 0.00 C ATOM 362 NE ARG A 72 6.106 15.963 -4.215 1.00 0.00 N ATOM 363 CZ ARG A 72 6.805 14.929 -4.677 1.00 0.00 C ATOM 364 NH1 ARG A 72 6.482 13.691 -4.325 1.00 0.00 N ATOM 365 NH2 ARG A 72 7.830 15.133 -5.493 1.00 0.00 N ATOM 0 H ARG A 72 1.969 17.717 -0.013 1.00 0.00 H new ATOM 0 HA ARG A 72 1.908 18.678 -2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.983 18.080 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.460 16.409 -1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.308 16.947 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.669 17.941 -3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.321 15.675 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.378 14.961 -3.591 1.00 0.00 H new ATOM 0 HE ARG A 72 6.385 16.899 -4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.695 13.528 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.021 12.902 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.083 16.083 -5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.366 14.340 -5.847 1.00 0.00 H new ATOM 379 N HIS A 73 0.906 15.590 -2.074 1.00 0.00 N ATOM 380 CA HIS A 73 0.129 14.477 -2.607 1.00 0.00 C ATOM 381 C HIS A 73 -1.361 14.812 -2.661 1.00 0.00 C ATOM 382 O HIS A 73 -2.153 14.056 -3.226 1.00 0.00 O ATOM 383 CB HIS A 73 0.352 13.224 -1.761 1.00 0.00 C ATOM 384 CG HIS A 73 1.764 12.729 -1.785 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.493 12.591 -2.947 1.00 0.00 N ATOM 386 CD2 HIS A 73 2.585 12.341 -0.779 1.00 0.00 C ATOM 387 CE1 HIS A 73 3.701 12.140 -2.656 1.00 0.00 C ATOM 388 NE2 HIS A 73 3.781 11.979 -1.348 1.00 0.00 N ATOM 0 H HIS A 73 1.253 15.446 -1.126 1.00 0.00 H new ATOM 0 HA HIS A 73 0.470 14.290 -3.625 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.068 13.436 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.308 12.433 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.344 12.320 0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.488 11.938 -3.367 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.599 11.640 -0.842 1.00 0.00 H new ATOM 396 N LYS A 74 -1.743 15.943 -2.071 1.00 0.00 N ATOM 397 CA LYS A 74 -3.139 16.364 -2.060 1.00 0.00 C ATOM 398 C LYS A 74 -4.003 15.365 -1.295 1.00 0.00 C ATOM 399 O LYS A 74 -5.071 14.965 -1.761 1.00 0.00 O ATOM 400 CB LYS A 74 -3.658 16.522 -3.490 1.00 0.00 C ATOM 401 CG LYS A 74 -3.483 17.924 -4.052 1.00 0.00 C ATOM 402 CD LYS A 74 -3.172 17.893 -5.540 1.00 0.00 C ATOM 403 CE LYS A 74 -2.564 19.204 -6.011 1.00 0.00 C ATOM 404 NZ LYS A 74 -3.563 20.061 -6.709 1.00 0.00 N ATOM 0 H LYS A 74 -1.106 16.582 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.199 17.327 -1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.139 15.814 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.716 16.260 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.391 18.502 -3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.678 18.432 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.483 17.075 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.086 17.693 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.157 19.744 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.731 18.997 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.109 20.945 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.933 19.557 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.346 20.280 -6.060 1.00 0.00 H new ATOM 418 N VAL A 75 -3.533 14.962 -0.119 1.00 0.00 N ATOM 419 CA VAL A 75 -4.264 14.011 0.709 1.00 0.00 C ATOM 420 C VAL A 75 -4.276 14.449 2.171 1.00 0.00 C ATOM 421 O VAL A 75 -3.432 15.235 2.602 1.00 0.00 O ATOM 422 CB VAL A 75 -3.655 12.597 0.608 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.218 12.592 1.103 1.00 0.00 C ATOM 424 CG2 VAL A 75 -4.498 11.594 1.383 1.00 0.00 C ATOM 0 H VAL A 75 -2.650 15.279 0.281 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.288 13.985 0.335 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.651 12.301 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.809 11.585 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.622 13.275 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.191 12.912 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.052 10.603 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.539 11.887 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.508 11.573 0.973 1.00 0.00 H new ATOM 434 N CYS A 76 -5.240 13.936 2.927 1.00 0.00 N ATOM 435 CA CYS A 76 -5.367 14.274 4.341 1.00 0.00 C ATOM 436 C CYS A 76 -4.692 13.225 5.217 1.00 0.00 C ATOM 437 O CYS A 76 -4.649 12.046 4.868 1.00 0.00 O ATOM 438 CB CYS A 76 -6.842 14.396 4.725 1.00 0.00 C ATOM 439 SG CYS A 76 -7.811 15.440 3.612 1.00 0.00 S ATOM 0 H CYS A 76 -5.946 13.284 2.585 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.872 15.231 4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.284 13.400 4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.911 14.799 5.736 1.00 0.00 H new ATOM 444 N GLU A 77 -4.174 13.661 6.361 1.00 0.00 N ATOM 445 CA GLU A 77 -3.511 12.755 7.291 1.00 0.00 C ATOM 446 C GLU A 77 -4.480 11.681 7.771 1.00 0.00 C ATOM 447 O GLU A 77 -4.085 10.545 8.032 1.00 0.00 O ATOM 448 CB GLU A 77 -2.953 13.532 8.485 1.00 0.00 C ATOM 449 CG GLU A 77 -2.008 12.717 9.353 1.00 0.00 C ATOM 450 CD GLU A 77 -2.644 12.282 10.659 1.00 0.00 C ATOM 451 OE1 GLU A 77 -2.710 13.109 11.591 1.00 0.00 O ATOM 452 OE2 GLU A 77 -3.076 11.112 10.749 1.00 0.00 O ATOM 0 H GLU A 77 -4.201 14.634 6.665 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.685 12.271 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.428 14.415 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.782 13.885 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.682 11.836 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.117 13.307 9.566 1.00 0.00 H new ATOM 459 N VAL A 78 -5.751 12.051 7.880 1.00 0.00 N ATOM 460 CA VAL A 78 -6.784 11.124 8.324 1.00 0.00 C ATOM 461 C VAL A 78 -7.144 10.143 7.213 1.00 0.00 C ATOM 462 O VAL A 78 -7.490 8.990 7.476 1.00 0.00 O ATOM 463 CB VAL A 78 -8.059 11.870 8.761 1.00 0.00 C ATOM 464 CG1 VAL A 78 -9.055 10.907 9.387 1.00 0.00 C ATOM 465 CG2 VAL A 78 -7.716 13.001 9.723 1.00 0.00 C ATOM 0 H VAL A 78 -6.091 12.989 7.666 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.380 10.580 9.178 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.522 12.307 7.877 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.949 11.453 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.326 10.141 8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.605 10.436 10.261 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.630 13.516 10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.227 12.591 10.607 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.046 13.706 9.231 1.00 0.00 H new ATOM 475 N HIS A 79 -7.061 10.610 5.973 1.00 0.00 N ATOM 476 CA HIS A 79 -7.377 9.780 4.819 1.00 0.00 C ATOM 477 C HIS A 79 -6.195 8.889 4.445 1.00 0.00 C ATOM 478 O HIS A 79 -6.376 7.801 3.896 1.00 0.00 O ATOM 479 CB HIS A 79 -7.768 10.658 3.628 1.00 0.00 C ATOM 480 CG HIS A 79 -9.240 10.914 3.536 1.00 0.00 C ATOM 481 ND1 HIS A 79 -9.775 12.123 3.142 1.00 0.00 N ATOM 482 CD2 HIS A 79 -10.295 10.103 3.786 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.094 12.046 3.157 1.00 0.00 C ATOM 484 NE2 HIS A 79 -11.434 10.831 3.544 1.00 0.00 N ATOM 0 H HIS A 79 -6.777 11.562 5.741 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.219 9.139 5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.245 11.611 3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.432 10.180 2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.249 9.075 4.114 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.777 12.841 2.897 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.389 10.488 3.647 1.00 0.00 H new ATOM 491 N ALA A 80 -4.988 9.356 4.745 1.00 0.00 N ATOM 492 CA ALA A 80 -3.779 8.598 4.440 1.00 0.00 C ATOM 493 C ALA A 80 -3.759 7.269 5.185 1.00 0.00 C ATOM 494 O ALA A 80 -3.369 6.241 4.632 1.00 0.00 O ATOM 495 CB ALA A 80 -2.544 9.418 4.785 1.00 0.00 C ATOM 0 H ALA A 80 -4.820 10.254 5.198 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.774 8.383 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.648 8.842 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.544 10.339 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.554 9.661 5.847 1.00 0.00 H new ATOM 501 N LYS A 81 -4.185 7.295 6.445 1.00 0.00 N ATOM 502 CA LYS A 81 -4.217 6.090 7.266 1.00 0.00 C ATOM 503 C LYS A 81 -5.605 5.873 7.860 1.00 0.00 C ATOM 504 O LYS A 81 -5.746 5.584 9.048 1.00 0.00 O ATOM 505 CB LYS A 81 -3.177 6.185 8.386 1.00 0.00 C ATOM 506 CG LYS A 81 -3.005 4.891 9.166 1.00 0.00 C ATOM 507 CD LYS A 81 -1.774 4.124 8.711 1.00 0.00 C ATOM 508 CE LYS A 81 -2.083 3.227 7.525 1.00 0.00 C ATOM 509 NZ LYS A 81 -0.848 2.641 6.934 1.00 0.00 N ATOM 0 H LYS A 81 -4.512 8.137 6.919 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.978 5.238 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.217 6.471 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.467 6.979 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.923 5.115 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.890 4.268 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.986 4.827 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.395 3.521 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.750 2.425 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.612 3.801 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.103 2.036 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.222 3.405 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.356 2.072 7.652 1.00 0.00 H new ATOM 523 N ALA A 82 -6.629 6.015 7.025 1.00 0.00 N ATOM 524 CA ALA A 82 -8.006 5.834 7.466 1.00 0.00 C ATOM 525 C ALA A 82 -8.450 4.384 7.305 1.00 0.00 C ATOM 526 O ALA A 82 -7.707 3.552 6.781 1.00 0.00 O ATOM 527 CB ALA A 82 -8.932 6.762 6.693 1.00 0.00 C ATOM 0 H ALA A 82 -6.530 6.255 6.039 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.058 6.085 8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.958 6.617 7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.636 7.797 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.866 6.537 5.628 1.00 0.00 H new ATOM 533 N SER A 83 -9.663 4.089 7.756 1.00 0.00 N ATOM 534 CA SER A 83 -10.207 2.738 7.659 1.00 0.00 C ATOM 535 C SER A 83 -11.119 2.609 6.443 1.00 0.00 C ATOM 536 O SER A 83 -12.341 2.548 6.574 1.00 0.00 O ATOM 537 CB SER A 83 -10.979 2.384 8.932 1.00 0.00 C ATOM 538 OG SER A 83 -10.412 3.018 10.066 1.00 0.00 O ATOM 0 H SER A 83 -10.289 4.766 8.192 1.00 0.00 H new ATOM 0 HA SER A 83 -9.375 2.043 7.544 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.021 2.687 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.974 1.303 9.075 1.00 0.00 H new ATOM 0 HG SER A 83 -10.924 2.777 10.866 1.00 0.00 H new ATOM 544 N SER A 84 -10.514 2.571 5.259 1.00 0.00 N ATOM 545 CA SER A 84 -11.268 2.451 4.015 1.00 0.00 C ATOM 546 C SER A 84 -12.174 3.659 3.810 1.00 0.00 C ATOM 547 O SER A 84 -13.167 3.832 4.519 1.00 0.00 O ATOM 548 CB SER A 84 -12.096 1.164 4.015 1.00 0.00 C ATOM 549 OG SER A 84 -13.343 1.355 4.663 1.00 0.00 O ATOM 0 H SER A 84 -9.503 2.622 5.135 1.00 0.00 H new ATOM 0 HA SER A 84 -10.557 2.412 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.263 0.836 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.541 0.371 4.516 1.00 0.00 H new ATOM 0 HG SER A 84 -13.311 2.176 5.198 1.00 0.00 H new ATOM 555 N VAL A 85 -11.828 4.495 2.835 1.00 0.00 N ATOM 556 CA VAL A 85 -12.610 5.688 2.536 1.00 0.00 C ATOM 557 C VAL A 85 -13.680 5.394 1.488 1.00 0.00 C ATOM 558 O VAL A 85 -13.564 4.440 0.719 1.00 0.00 O ATOM 559 CB VAL A 85 -11.717 6.837 2.029 1.00 0.00 C ATOM 560 CG1 VAL A 85 -12.473 8.156 2.058 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.440 6.930 2.851 1.00 0.00 C ATOM 0 H VAL A 85 -11.010 4.367 2.239 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.087 5.993 3.467 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.441 6.624 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.825 8.955 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.353 8.085 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.783 8.375 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.825 7.748 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.692 7.115 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.887 5.994 2.772 1.00 0.00 H new ATOM 571 N PHE A 86 -14.719 6.221 1.465 1.00 0.00 N ATOM 572 CA PHE A 86 -15.809 6.052 0.511 1.00 0.00 C ATOM 573 C PHE A 86 -15.537 6.840 -0.767 1.00 0.00 C ATOM 574 O PHE A 86 -15.927 8.001 -0.886 1.00 0.00 O ATOM 575 CB PHE A 86 -17.132 6.504 1.132 1.00 0.00 C ATOM 576 CG PHE A 86 -18.333 5.803 0.566 1.00 0.00 C ATOM 577 CD1 PHE A 86 -18.522 4.446 0.773 1.00 0.00 C ATOM 578 CD2 PHE A 86 -19.273 6.502 -0.176 1.00 0.00 C ATOM 579 CE1 PHE A 86 -19.627 3.800 0.251 1.00 0.00 C ATOM 580 CE2 PHE A 86 -20.380 5.861 -0.698 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.556 4.507 -0.485 1.00 0.00 C ATOM 0 H PHE A 86 -14.830 7.015 2.096 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.878 4.994 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -17.096 6.333 2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -17.245 7.578 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.799 3.887 1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.138 7.560 -0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.763 2.742 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.107 6.417 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.419 4.003 -0.894 1.00 0.00 H new ATOM 591 N LEU A 87 -14.866 6.201 -1.719 1.00 0.00 N ATOM 592 CA LEU A 87 -14.543 6.843 -2.988 1.00 0.00 C ATOM 593 C LEU A 87 -15.315 6.203 -4.137 1.00 0.00 C ATOM 594 O LEU A 87 -15.246 4.993 -4.346 1.00 0.00 O ATOM 595 CB LEU A 87 -13.039 6.759 -3.259 1.00 0.00 C ATOM 596 CG LEU A 87 -12.498 7.804 -4.234 1.00 0.00 C ATOM 597 CD1 LEU A 87 -12.798 9.208 -3.731 1.00 0.00 C ATOM 598 CD2 LEU A 87 -11.000 7.618 -4.437 1.00 0.00 C ATOM 0 H LEU A 87 -14.535 5.240 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.835 7.891 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.509 6.859 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.810 5.767 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.995 7.669 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.406 9.939 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.876 9.338 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.328 9.354 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.631 8.370 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.487 7.726 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.808 6.624 -4.841 1.00 0.00 H new ATOM 610 N SER A 88 -16.050 7.027 -4.878 1.00 0.00 N ATOM 611 CA SER A 88 -16.836 6.544 -6.007 1.00 0.00 C ATOM 612 C SER A 88 -17.865 5.506 -5.562 1.00 0.00 C ATOM 613 O SER A 88 -18.357 4.722 -6.373 1.00 0.00 O ATOM 614 CB SER A 88 -15.917 5.943 -7.074 1.00 0.00 C ATOM 615 OG SER A 88 -16.311 6.348 -8.373 1.00 0.00 O ATOM 0 H SER A 88 -16.117 8.032 -4.716 1.00 0.00 H new ATOM 0 HA SER A 88 -17.371 7.394 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.889 6.253 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.939 4.855 -7.006 1.00 0.00 H new ATOM 0 HG SER A 88 -15.708 5.952 -9.036 1.00 0.00 H new ATOM 621 N GLY A 89 -18.187 5.507 -4.271 1.00 0.00 N ATOM 622 CA GLY A 89 -19.157 4.562 -3.751 1.00 0.00 C ATOM 623 C GLY A 89 -18.513 3.300 -3.208 1.00 0.00 C ATOM 624 O GLY A 89 -18.955 2.758 -2.194 1.00 0.00 O ATOM 0 H GLY A 89 -17.794 6.144 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.735 5.039 -2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.858 4.296 -4.542 1.00 0.00 H new ATOM 628 N LEU A 90 -17.470 2.828 -3.885 1.00 0.00 N ATOM 629 CA LEU A 90 -16.771 1.622 -3.464 1.00 0.00 C ATOM 630 C LEU A 90 -15.764 1.931 -2.360 1.00 0.00 C ATOM 631 O LEU A 90 -15.460 3.094 -2.090 1.00 0.00 O ATOM 632 CB LEU A 90 -16.059 0.976 -4.655 1.00 0.00 C ATOM 633 CG LEU A 90 -15.383 1.954 -5.622 1.00 0.00 C ATOM 634 CD1 LEU A 90 -14.020 1.429 -6.045 1.00 0.00 C ATOM 635 CD2 LEU A 90 -16.265 2.194 -6.839 1.00 0.00 C ATOM 0 H LEU A 90 -17.092 3.263 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.510 0.924 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -15.305 0.286 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -16.784 0.382 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 90 -15.240 2.904 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -13.555 2.136 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -13.388 1.308 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -14.139 0.466 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -15.770 2.891 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -16.439 1.249 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -17.219 2.614 -6.520 1.00 0.00 H new ATOM 647 N ASN A 91 -15.251 0.883 -1.724 1.00 0.00 N ATOM 648 CA ASN A 91 -14.280 1.039 -0.649 1.00 0.00 C ATOM 649 C ASN A 91 -12.858 1.091 -1.200 1.00 0.00 C ATOM 650 O ASN A 91 -12.354 0.103 -1.735 1.00 0.00 O ATOM 651 CB ASN A 91 -14.409 -0.111 0.353 1.00 0.00 C ATOM 652 CG ASN A 91 -15.307 0.240 1.524 1.00 0.00 C ATOM 653 OD1 ASN A 91 -15.179 1.308 2.120 1.00 0.00 O ATOM 654 ND2 ASN A 91 -16.222 -0.663 1.858 1.00 0.00 N ATOM 0 H ASN A 91 -15.493 -0.085 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.487 1.981 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.806 -0.989 -0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.420 -0.378 0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -16.855 -0.484 2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.292 -1.536 1.335 1.00 0.00 H new ATOM 661 N GLN A 92 -12.217 2.247 -1.067 1.00 0.00 N ATOM 662 CA GLN A 92 -10.854 2.426 -1.551 1.00 0.00 C ATOM 663 C GLN A 92 -9.933 2.879 -0.422 1.00 0.00 C ATOM 664 O GLN A 92 -10.183 3.893 0.228 1.00 0.00 O ATOM 665 CB GLN A 92 -10.825 3.446 -2.691 1.00 0.00 C ATOM 666 CG GLN A 92 -10.858 2.814 -4.074 1.00 0.00 C ATOM 667 CD GLN A 92 -11.319 3.781 -5.147 1.00 0.00 C ATOM 668 OE1 GLN A 92 -12.484 4.177 -5.184 1.00 0.00 O ATOM 669 NE2 GLN A 92 -10.403 4.164 -6.029 1.00 0.00 N ATOM 0 H GLN A 92 -12.620 3.074 -0.628 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.497 1.466 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.677 4.118 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.925 4.055 -2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.863 2.446 -4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.523 1.950 -4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.449 3.810 -5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.654 4.812 -6.776 1.00 0.00 H new ATOM 678 N ARG A 93 -8.866 2.118 -0.195 1.00 0.00 N ATOM 679 CA ARG A 93 -7.908 2.442 0.856 1.00 0.00 C ATOM 680 C ARG A 93 -6.625 3.015 0.264 1.00 0.00 C ATOM 681 O ARG A 93 -6.436 3.014 -0.953 1.00 0.00 O ATOM 682 CB ARG A 93 -7.588 1.195 1.683 1.00 0.00 C ATOM 683 CG ARG A 93 -7.374 1.484 3.161 1.00 0.00 C ATOM 684 CD ARG A 93 -6.132 0.789 3.700 1.00 0.00 C ATOM 685 NE ARG A 93 -6.002 -0.574 3.192 1.00 0.00 N ATOM 686 CZ ARG A 93 -6.782 -1.584 3.568 1.00 0.00 C ATOM 687 NH1 ARG A 93 -7.748 -1.390 4.457 1.00 0.00 N ATOM 688 NH2 ARG A 93 -6.597 -2.791 3.054 1.00 0.00 N ATOM 0 H ARG A 93 -8.644 1.275 -0.724 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.357 3.195 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.403 0.479 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.692 0.722 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.282 2.560 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.247 1.157 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.247 1.364 3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.173 0.767 4.789 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.269 -0.763 2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.895 -0.463 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.343 -2.168 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.856 -2.946 2.370 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.195 -3.565 3.342 1.00 0.00 H new ATOM 702 N PHE A 94 -5.748 3.507 1.132 1.00 0.00 N ATOM 703 CA PHE A 94 -4.482 4.085 0.696 1.00 0.00 C ATOM 704 C PHE A 94 -3.398 3.017 0.601 1.00 0.00 C ATOM 705 O PHE A 94 -3.492 1.963 1.229 1.00 0.00 O ATOM 706 CB PHE A 94 -4.045 5.189 1.661 1.00 0.00 C ATOM 707 CG PHE A 94 -3.066 6.157 1.062 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.508 7.242 0.324 1.00 0.00 C ATOM 709 CD2 PHE A 94 -1.702 5.981 1.238 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.608 8.134 -0.228 1.00 0.00 C ATOM 711 CE2 PHE A 94 -0.799 6.869 0.687 1.00 0.00 C ATOM 712 CZ PHE A 94 -1.252 7.947 -0.046 1.00 0.00 C ATOM 0 H PHE A 94 -5.890 3.517 2.142 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.629 4.514 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.926 5.737 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.598 4.732 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.567 7.393 0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.342 5.140 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.965 8.977 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.261 6.720 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.547 8.643 -0.476 1.00 0.00 H new ATOM 722 N CYS A 95 -2.367 3.299 -0.189 1.00 0.00 N ATOM 723 CA CYS A 95 -1.261 2.364 -0.368 1.00 0.00 C ATOM 724 C CYS A 95 0.078 3.076 -0.200 1.00 0.00 C ATOM 725 O CYS A 95 0.606 3.654 -1.146 1.00 0.00 O ATOM 726 CB CYS A 95 -1.337 1.714 -1.754 1.00 0.00 C ATOM 727 SG CYS A 95 0.042 0.604 -2.128 1.00 0.00 S ATOM 0 H CYS A 95 -2.274 4.168 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.341 1.589 0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.270 1.155 -1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.373 2.499 -2.510 1.00 0.00 H new ATOM 732 N GLN A 96 0.621 3.027 1.013 1.00 0.00 N ATOM 733 CA GLN A 96 1.898 3.666 1.305 1.00 0.00 C ATOM 734 C GLN A 96 2.993 3.171 0.363 1.00 0.00 C ATOM 735 O GLN A 96 3.995 3.856 0.148 1.00 0.00 O ATOM 736 CB GLN A 96 2.295 3.397 2.756 1.00 0.00 C ATOM 737 CG GLN A 96 2.723 4.642 3.511 1.00 0.00 C ATOM 738 CD GLN A 96 1.569 5.318 4.231 1.00 0.00 C ATOM 739 OE1 GLN A 96 1.567 5.426 5.456 1.00 0.00 O ATOM 740 NE2 GLN A 96 0.581 5.774 3.470 1.00 0.00 N ATOM 0 H GLN A 96 0.196 2.551 1.809 1.00 0.00 H new ATOM 0 HA GLN A 96 1.783 4.739 1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.453 2.939 3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.111 2.674 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.492 4.376 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.174 5.348 2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.624 5.663 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.221 6.236 3.898 1.00 0.00 H new ATOM 749 N GLN A 97 2.801 1.981 -0.195 1.00 0.00 N ATOM 750 CA GLN A 97 3.775 1.398 -1.110 1.00 0.00 C ATOM 751 C GLN A 97 3.991 2.292 -2.328 1.00 0.00 C ATOM 752 O GLN A 97 5.122 2.659 -2.647 1.00 0.00 O ATOM 753 CB GLN A 97 3.317 0.005 -1.553 1.00 0.00 C ATOM 754 CG GLN A 97 4.292 -1.101 -1.184 1.00 0.00 C ATOM 755 CD GLN A 97 3.974 -2.412 -1.875 1.00 0.00 C ATOM 756 OE1 GLN A 97 3.641 -3.405 -1.228 1.00 0.00 O ATOM 757 NE2 GLN A 97 4.076 -2.423 -3.201 1.00 0.00 N ATOM 0 H GLN A 97 1.979 1.401 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 97 4.724 1.310 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.348 -0.210 -1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.173 0.005 -2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.303 -0.792 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.275 -1.250 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.355 -1.577 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.875 -3.277 -3.721 1.00 0.00 H new ATOM 766 N CYS A 98 2.902 2.635 -3.008 1.00 0.00 N ATOM 767 CA CYS A 98 2.978 3.483 -4.195 1.00 0.00 C ATOM 768 C CYS A 98 2.490 4.901 -3.901 1.00 0.00 C ATOM 769 O CYS A 98 2.555 5.777 -4.762 1.00 0.00 O ATOM 770 CB CYS A 98 2.150 2.883 -5.336 1.00 0.00 C ATOM 771 SG CYS A 98 2.262 1.082 -5.469 1.00 0.00 S ATOM 0 H CYS A 98 1.958 2.340 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 98 4.025 3.534 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 98 1.105 3.161 -5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 98 2.475 3.326 -6.277 1.00 0.00 H new ATOM 776 N SER A 99 1.993 5.126 -2.686 1.00 0.00 N ATOM 777 CA SER A 99 1.492 6.442 -2.292 1.00 0.00 C ATOM 778 C SER A 99 0.194 6.796 -3.025 1.00 0.00 C ATOM 779 O SER A 99 -0.378 7.864 -2.802 1.00 0.00 O ATOM 780 CB SER A 99 2.547 7.518 -2.559 1.00 0.00 C ATOM 781 OG SER A 99 2.225 8.726 -1.893 1.00 0.00 O ATOM 0 H SER A 99 1.926 4.415 -1.958 1.00 0.00 H new ATOM 0 HA SER A 99 1.278 6.402 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.523 7.165 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.622 7.699 -3.631 1.00 0.00 H new ATOM 0 HG SER A 99 1.262 8.891 -1.963 1.00 0.00 H new ATOM 787 N ARG A 100 -0.268 5.903 -3.899 1.00 0.00 N ATOM 788 CA ARG A 100 -1.496 6.137 -4.653 1.00 0.00 C ATOM 789 C ARG A 100 -2.699 5.528 -3.938 1.00 0.00 C ATOM 790 O ARG A 100 -2.591 5.070 -2.800 1.00 0.00 O ATOM 791 CB ARG A 100 -1.377 5.549 -6.060 1.00 0.00 C ATOM 792 CG ARG A 100 -0.052 5.849 -6.740 1.00 0.00 C ATOM 793 CD ARG A 100 -0.107 7.152 -7.519 1.00 0.00 C ATOM 794 NE ARG A 100 0.336 8.289 -6.717 1.00 0.00 N ATOM 795 CZ ARG A 100 0.729 9.452 -7.232 1.00 0.00 C ATOM 796 NH1 ARG A 100 0.734 9.637 -8.547 1.00 0.00 N ATOM 797 NH2 ARG A 100 1.119 10.435 -6.430 1.00 0.00 N ATOM 0 H ARG A 100 0.189 5.014 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.645 7.214 -4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.510 4.469 -6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.187 5.939 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.738 5.905 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.205 5.032 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.519 7.070 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.127 7.326 -7.862 1.00 0.00 H new ATOM 0 HE ARG A 100 0.345 8.186 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.436 8.886 -9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.036 10.531 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.118 10.299 -5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.420 11.326 -6.825 1.00 0.00 H new ATOM 811 N PHE A 101 -3.842 5.521 -4.618 1.00 0.00 N ATOM 812 CA PHE A 101 -5.066 4.965 -4.052 1.00 0.00 C ATOM 813 C PHE A 101 -5.449 3.670 -4.763 1.00 0.00 C ATOM 814 O PHE A 101 -5.516 3.622 -5.992 1.00 0.00 O ATOM 815 CB PHE A 101 -6.208 5.977 -4.158 1.00 0.00 C ATOM 816 CG PHE A 101 -6.503 6.688 -2.867 1.00 0.00 C ATOM 817 CD1 PHE A 101 -7.407 6.159 -1.961 1.00 0.00 C ATOM 818 CD2 PHE A 101 -5.875 7.886 -2.562 1.00 0.00 C ATOM 819 CE1 PHE A 101 -7.679 6.811 -0.773 1.00 0.00 C ATOM 820 CE2 PHE A 101 -6.144 8.542 -1.376 1.00 0.00 C ATOM 821 CZ PHE A 101 -7.048 8.004 -0.481 1.00 0.00 C ATOM 0 H PHE A 101 -3.946 5.894 -5.562 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.885 4.744 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.959 6.715 -4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.108 5.463 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.905 5.227 -2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.168 8.311 -3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.385 6.388 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.648 9.474 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.261 8.516 0.446 1.00 0.00 H new ATOM 831 N HIS A 102 -5.696 2.621 -3.985 1.00 0.00 N ATOM 832 CA HIS A 102 -6.069 1.327 -4.545 1.00 0.00 C ATOM 833 C HIS A 102 -7.355 0.806 -3.910 1.00 0.00 C ATOM 834 O HIS A 102 -7.628 1.061 -2.737 1.00 0.00 O ATOM 835 CB HIS A 102 -4.937 0.318 -4.343 1.00 0.00 C ATOM 836 CG HIS A 102 -3.632 0.765 -4.925 1.00 0.00 C ATOM 837 ND1 HIS A 102 -3.541 1.699 -5.935 1.00 0.00 N ATOM 838 CD2 HIS A 102 -2.359 0.407 -4.631 1.00 0.00 C ATOM 839 CE1 HIS A 102 -2.271 1.896 -6.239 1.00 0.00 C ATOM 840 NE2 HIS A 102 -1.533 1.125 -5.462 1.00 0.00 N ATOM 0 H HIS A 102 -5.645 2.642 -2.966 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.244 1.457 -5.613 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -4.808 0.137 -3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.222 -0.632 -4.795 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.332 2.166 -6.379 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.051 -0.309 -3.883 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -1.900 2.573 -6.994 1.00 0.00 H new ATOM 848 N ASP A 103 -8.140 0.076 -4.696 1.00 0.00 N ATOM 849 CA ASP A 103 -9.399 -0.482 -4.216 1.00 0.00 C ATOM 850 C ASP A 103 -9.159 -1.508 -3.114 1.00 0.00 C ATOM 851 O ASP A 103 -8.031 -1.955 -2.902 1.00 0.00 O ATOM 852 CB ASP A 103 -10.168 -1.129 -5.371 1.00 0.00 C ATOM 853 CG ASP A 103 -11.642 -1.297 -5.063 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.147 -0.586 -4.168 1.00 0.00 O ATOM 855 OD2 ASP A 103 -12.293 -2.139 -5.716 1.00 0.00 O ATOM 0 H ASP A 103 -7.926 -0.143 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.992 0.334 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.054 -0.518 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.733 -2.103 -5.593 1.00 0.00 H new ATOM 860 N LEU A 104 -10.227 -1.876 -2.415 1.00 0.00 N ATOM 861 CA LEU A 104 -10.136 -2.850 -1.333 1.00 0.00 C ATOM 862 C LEU A 104 -9.943 -4.259 -1.885 1.00 0.00 C ATOM 863 O LEU A 104 -9.294 -5.098 -1.261 1.00 0.00 O ATOM 864 CB LEU A 104 -11.395 -2.794 -0.464 1.00 0.00 C ATOM 865 CG LEU A 104 -11.147 -2.893 1.043 1.00 0.00 C ATOM 866 CD1 LEU A 104 -10.823 -1.523 1.620 1.00 0.00 C ATOM 867 CD2 LEU A 104 -12.356 -3.496 1.741 1.00 0.00 C ATOM 0 H LEU A 104 -11.167 -1.514 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.270 -2.599 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.919 -1.861 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.060 -3.605 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.291 -3.547 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.650 -1.612 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.928 -1.128 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.659 -0.846 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.164 -3.560 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.229 -2.867 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.544 -4.495 1.346 1.00 0.00 H new ATOM 879 N GLN A 105 -10.513 -4.512 -3.058 1.00 0.00 N ATOM 880 CA GLN A 105 -10.406 -5.818 -3.697 1.00 0.00 C ATOM 881 C GLN A 105 -8.947 -6.173 -3.976 1.00 0.00 C ATOM 882 O GLN A 105 -8.592 -7.348 -4.063 1.00 0.00 O ATOM 883 CB GLN A 105 -11.208 -5.842 -4.999 1.00 0.00 C ATOM 884 CG GLN A 105 -12.618 -6.389 -4.835 1.00 0.00 C ATOM 885 CD GLN A 105 -13.677 -5.451 -5.379 1.00 0.00 C ATOM 886 OE1 GLN A 105 -14.508 -5.841 -6.198 1.00 0.00 O ATOM 887 NE2 GLN A 105 -13.653 -4.203 -4.922 1.00 0.00 N ATOM 0 H GLN A 105 -11.055 -3.828 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.816 -6.561 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -11.264 -4.830 -5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -10.676 -6.447 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.692 -7.349 -5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.811 -6.574 -3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.946 -3.922 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -14.342 -3.526 -5.250 1.00 0.00 H new ATOM 896 N GLU A 106 -8.108 -5.152 -4.117 1.00 0.00 N ATOM 897 CA GLU A 106 -6.690 -5.359 -4.386 1.00 0.00 C ATOM 898 C GLU A 106 -5.937 -5.708 -3.106 1.00 0.00 C ATOM 899 O GLU A 106 -4.946 -6.436 -3.136 1.00 0.00 O ATOM 900 CB GLU A 106 -6.083 -4.109 -5.026 1.00 0.00 C ATOM 901 CG GLU A 106 -6.127 -4.120 -6.545 1.00 0.00 C ATOM 902 CD GLU A 106 -5.510 -2.877 -7.156 1.00 0.00 C ATOM 903 OE1 GLU A 106 -5.849 -1.763 -6.702 1.00 0.00 O ATOM 904 OE2 GLU A 106 -4.690 -3.017 -8.086 1.00 0.00 O ATOM 0 H GLU A 106 -8.386 -4.173 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.596 -6.195 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.615 -3.230 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.047 -4.012 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.601 -5.001 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.163 -4.206 -6.874 1.00 0.00 H new ATOM 911 N PHE A 107 -6.415 -5.182 -1.983 1.00 0.00 N ATOM 912 CA PHE A 107 -5.786 -5.437 -0.692 1.00 0.00 C ATOM 913 C PHE A 107 -6.243 -6.776 -0.120 1.00 0.00 C ATOM 914 O PHE A 107 -7.364 -7.219 -0.370 1.00 0.00 O ATOM 915 CB PHE A 107 -6.115 -4.312 0.289 1.00 0.00 C ATOM 916 CG PHE A 107 -5.495 -2.994 -0.079 1.00 0.00 C ATOM 917 CD1 PHE A 107 -4.122 -2.814 -0.001 1.00 0.00 C ATOM 918 CD2 PHE A 107 -6.281 -1.936 -0.504 1.00 0.00 C ATOM 919 CE1 PHE A 107 -3.547 -1.604 -0.339 1.00 0.00 C ATOM 920 CE2 PHE A 107 -5.713 -0.724 -0.844 1.00 0.00 C ATOM 921 CZ PHE A 107 -4.343 -0.558 -0.761 1.00 0.00 C ATOM 0 H PHE A 107 -7.235 -4.577 -1.941 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.707 -5.475 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -7.197 -4.193 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.776 -4.598 1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.495 -3.629 0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.352 -2.060 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.477 -1.477 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.338 0.093 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 107 -3.896 0.389 -1.026 1.00 0.00 H new ATOM 931 N ASP A 108 -5.367 -7.416 0.649 1.00 0.00 N ATOM 932 CA ASP A 108 -5.682 -8.705 1.253 1.00 0.00 C ATOM 933 C ASP A 108 -4.720 -9.022 2.395 1.00 0.00 C ATOM 934 O ASP A 108 -3.769 -8.281 2.643 1.00 0.00 O ATOM 935 CB ASP A 108 -5.623 -9.814 0.201 1.00 0.00 C ATOM 936 CG ASP A 108 -6.695 -10.866 0.410 1.00 0.00 C ATOM 937 OD1 ASP A 108 -7.822 -10.496 0.801 1.00 0.00 O ATOM 938 OD2 ASP A 108 -6.407 -12.060 0.183 1.00 0.00 O ATOM 0 H ASP A 108 -4.435 -7.063 0.868 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.693 -8.650 1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.735 -9.377 -0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.642 -10.288 0.231 1.00 0.00 H new ATOM 943 N GLU A 109 -4.975 -10.127 3.088 1.00 0.00 N ATOM 944 CA GLU A 109 -4.134 -10.544 4.203 1.00 0.00 C ATOM 945 C GLU A 109 -4.120 -9.488 5.301 1.00 0.00 C ATOM 946 O GLU A 109 -4.708 -8.414 5.152 1.00 0.00 O ATOM 947 CB GLU A 109 -2.707 -10.811 3.720 1.00 0.00 C ATOM 948 CG GLU A 109 -2.617 -11.882 2.645 1.00 0.00 C ATOM 949 CD GLU A 109 -1.261 -11.916 1.969 1.00 0.00 C ATOM 950 OE1 GLU A 109 -0.660 -10.836 1.788 1.00 0.00 O ATOM 951 OE2 GLU A 109 -0.800 -13.024 1.619 1.00 0.00 O ATOM 0 H GLU A 109 -5.759 -10.751 2.896 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.551 -11.463 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.284 -9.884 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.095 -11.110 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.822 -12.856 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.388 -11.705 1.895 1.00 0.00 H new ATOM 958 N ALA A 110 -3.447 -9.796 6.403 1.00 0.00 N ATOM 959 CA ALA A 110 -3.355 -8.873 7.528 1.00 0.00 C ATOM 960 C ALA A 110 -2.704 -7.560 7.107 1.00 0.00 C ATOM 961 O ALA A 110 -3.011 -6.500 7.651 1.00 0.00 O ATOM 962 CB ALA A 110 -2.576 -9.508 8.671 1.00 0.00 C ATOM 0 H ALA A 110 -2.956 -10.679 6.542 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.366 -8.655 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.516 -8.807 9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.083 -10.416 8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.570 -9.756 8.332 1.00 0.00 H new ATOM 968 N LYS A 111 -1.800 -7.639 6.135 1.00 0.00 N ATOM 969 CA LYS A 111 -1.104 -6.458 5.640 1.00 0.00 C ATOM 970 C LYS A 111 -1.994 -5.662 4.691 1.00 0.00 C ATOM 971 O LYS A 111 -2.485 -6.190 3.693 1.00 0.00 O ATOM 972 CB LYS A 111 0.188 -6.864 4.928 1.00 0.00 C ATOM 973 CG LYS A 111 1.360 -7.078 5.871 1.00 0.00 C ATOM 974 CD LYS A 111 2.013 -8.434 5.657 1.00 0.00 C ATOM 975 CE LYS A 111 2.764 -8.895 6.896 1.00 0.00 C ATOM 976 NZ LYS A 111 2.847 -10.379 6.977 1.00 0.00 N ATOM 0 H LYS A 111 -1.533 -8.509 5.675 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.857 -5.826 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.011 -7.782 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.451 -6.094 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.098 -6.291 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.017 -6.998 6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.251 -9.169 5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.701 -8.378 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.770 -8.475 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.266 -8.510 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.366 -10.651 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.888 -10.779 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.345 -10.745 6.141 1.00 0.00 H new ATOM 990 N ARG A 112 -2.194 -4.386 5.005 1.00 0.00 N ATOM 991 CA ARG A 112 -3.023 -3.516 4.180 1.00 0.00 C ATOM 992 C ARG A 112 -2.172 -2.757 3.165 1.00 0.00 C ATOM 993 O ARG A 112 -2.237 -1.530 3.077 1.00 0.00 O ATOM 994 CB ARG A 112 -3.798 -2.531 5.058 1.00 0.00 C ATOM 995 CG ARG A 112 -2.909 -1.559 5.817 1.00 0.00 C ATOM 996 CD ARG A 112 -2.643 -2.036 7.236 1.00 0.00 C ATOM 997 NE ARG A 112 -1.246 -2.411 7.434 1.00 0.00 N ATOM 998 CZ ARG A 112 -0.734 -2.778 8.607 1.00 0.00 C ATOM 999 NH1 ARG A 112 -1.502 -2.819 9.690 1.00 0.00 N ATOM 1000 NH2 ARG A 112 0.547 -3.104 8.699 1.00 0.00 N ATOM 0 H ARG A 112 -1.793 -3.932 5.825 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.733 -4.139 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.488 -1.965 4.432 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -4.401 -3.091 5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.963 -1.441 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.383 -0.578 5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.910 -1.247 7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.283 -2.890 7.457 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.625 -2.391 6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.489 -2.569 9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.105 -3.101 10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.142 -3.074 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.938 -3.385 9.598 1.00 0.00 H new ATOM 1014 N SER A 113 -1.374 -3.496 2.402 1.00 0.00 N ATOM 1015 CA SER A 113 -0.508 -2.894 1.394 1.00 0.00 C ATOM 1016 C SER A 113 -0.732 -3.538 0.029 1.00 0.00 C ATOM 1017 O SER A 113 -1.494 -4.496 -0.101 1.00 0.00 O ATOM 1018 CB SER A 113 0.959 -3.035 1.803 1.00 0.00 C ATOM 1019 OG SER A 113 1.101 -2.997 3.213 1.00 0.00 O ATOM 0 H SER A 113 -1.309 -4.512 2.462 1.00 0.00 H new ATOM 0 HA SER A 113 -0.758 -1.836 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.358 -3.974 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.544 -2.233 1.354 1.00 0.00 H new ATOM 0 HG SER A 113 2.047 -3.091 3.449 1.00 0.00 H new ATOM 1025 N CYS A 114 -0.060 -3.005 -0.986 1.00 0.00 N ATOM 1026 CA CYS A 114 -0.180 -3.523 -2.346 1.00 0.00 C ATOM 1027 C CYS A 114 0.156 -5.012 -2.398 1.00 0.00 C ATOM 1028 O CYS A 114 0.795 -5.546 -1.491 1.00 0.00 O ATOM 1029 CB CYS A 114 0.743 -2.744 -3.284 1.00 0.00 C ATOM 1030 SG CYS A 114 -0.028 -2.242 -4.839 1.00 0.00 S ATOM 0 H CYS A 114 0.575 -2.212 -0.893 1.00 0.00 H new ATOM 0 HA CYS A 114 -1.213 -3.397 -2.670 1.00 0.00 H new ATOM 0 HB2 CYS A 114 1.101 -1.854 -2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.617 -3.357 -3.506 1.00 0.00 H new ATOM 1035 N ARG A 115 -0.279 -5.674 -3.464 1.00 0.00 N ATOM 1036 CA ARG A 115 -0.025 -7.101 -3.635 1.00 0.00 C ATOM 1037 C ARG A 115 1.339 -7.338 -4.277 1.00 0.00 C ATOM 1038 O ARG A 115 1.980 -8.358 -4.032 1.00 0.00 O ATOM 1039 CB ARG A 115 -1.122 -7.736 -4.491 1.00 0.00 C ATOM 1040 CG ARG A 115 -1.246 -7.124 -5.877 1.00 0.00 C ATOM 1041 CD ARG A 115 -2.497 -6.268 -6.005 1.00 0.00 C ATOM 1042 NE ARG A 115 -3.194 -6.502 -7.267 1.00 0.00 N ATOM 1043 CZ ARG A 115 -3.817 -7.637 -7.570 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -3.836 -8.644 -6.705 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -4.426 -7.769 -8.742 1.00 0.00 N ATOM 0 H ARG A 115 -0.809 -5.246 -4.223 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.028 -7.566 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -0.921 -8.803 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.076 -7.639 -3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.366 -6.516 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -1.270 -7.917 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.169 -6.483 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.225 -5.215 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.203 -5.750 -7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.371 -8.550 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.316 -9.512 -6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.416 -6.999 -9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.904 -8.640 -8.973 1.00 0.00 H new ATOM 1059 N ARG A 116 1.774 -6.389 -5.099 1.00 0.00 N ATOM 1060 CA ARG A 116 3.059 -6.494 -5.775 1.00 0.00 C ATOM 1061 C ARG A 116 4.206 -6.351 -4.783 1.00 0.00 C ATOM 1062 O ARG A 116 4.217 -5.441 -3.954 1.00 0.00 O ATOM 1063 CB ARG A 116 3.176 -5.429 -6.866 1.00 0.00 C ATOM 1064 CG ARG A 116 3.982 -5.880 -8.073 1.00 0.00 C ATOM 1065 CD ARG A 116 3.317 -5.468 -9.376 1.00 0.00 C ATOM 1066 NE ARG A 116 3.434 -6.503 -10.402 1.00 0.00 N ATOM 1067 CZ ARG A 116 2.672 -7.593 -10.446 1.00 0.00 C ATOM 1068 NH1 ARG A 116 1.737 -7.796 -9.527 1.00 0.00 N ATOM 1069 NH2 ARG A 116 2.846 -8.485 -11.413 1.00 0.00 N ATOM 0 H ARG A 116 1.254 -5.538 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 116 3.120 -7.480 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 116 2.176 -5.145 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 116 3.639 -4.537 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 116 4.983 -5.451 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 116 4.098 -6.964 -8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.264 -5.255 -9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.770 -4.545 -9.738 1.00 0.00 H new ATOM 0 HE ARG A 116 4.141 -6.382 -11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 116 1.599 -7.114 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 116 1.156 -8.634 -9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 116 3.564 -8.335 -12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 116 2.262 -9.321 -11.447 1.00 0.00 H new ATOM 1083 N ARG A 117 5.169 -7.261 -4.875 1.00 0.00 N ATOM 1084 CA ARG A 117 6.334 -7.255 -3.990 1.00 0.00 C ATOM 1085 C ARG A 117 5.977 -7.806 -2.614 1.00 0.00 C ATOM 1086 O ARG A 117 6.552 -8.795 -2.161 1.00 0.00 O ATOM 1087 CB ARG A 117 6.909 -5.842 -3.859 1.00 0.00 C ATOM 1088 CG ARG A 117 8.425 -5.790 -3.973 1.00 0.00 C ATOM 1089 CD ARG A 117 9.009 -4.659 -3.142 1.00 0.00 C ATOM 1090 NE ARG A 117 9.142 -3.425 -3.913 1.00 0.00 N ATOM 1091 CZ ARG A 117 9.928 -2.410 -3.559 1.00 0.00 C ATOM 1092 NH1 ARG A 117 10.652 -2.478 -2.448 1.00 0.00 N ATOM 1093 NH2 ARG A 117 9.991 -1.325 -4.317 1.00 0.00 N ATOM 0 H ARG A 117 5.168 -8.019 -5.558 1.00 0.00 H new ATOM 0 HA ARG A 117 7.092 -7.900 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 117 6.473 -5.208 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.610 -5.425 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.848 -6.739 -3.645 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.708 -5.659 -5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.372 -4.479 -2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.986 -4.956 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 117 8.601 -3.336 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.608 -3.311 -1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.252 -1.697 -2.182 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.437 -1.267 -5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.593 -0.548 -4.046 1.00 0.00 H new ATOM 1107 N LEU A 118 5.025 -7.157 -1.956 1.00 0.00 N ATOM 1108 CA LEU A 118 4.585 -7.578 -0.629 1.00 0.00 C ATOM 1109 C LEU A 118 4.213 -9.057 -0.618 1.00 0.00 C ATOM 1110 O LEU A 118 4.781 -9.844 0.139 1.00 0.00 O ATOM 1111 CB LEU A 118 3.386 -6.739 -0.179 1.00 0.00 C ATOM 1112 CG LEU A 118 3.090 -6.787 1.321 1.00 0.00 C ATOM 1113 CD1 LEU A 118 3.752 -5.617 2.033 1.00 0.00 C ATOM 1114 CD2 LEU A 118 1.588 -6.785 1.569 1.00 0.00 C ATOM 0 H LEU A 118 4.541 -6.336 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 118 5.412 -7.426 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.559 -5.702 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.502 -7.077 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 118 3.503 -7.712 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.531 -5.667 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 118 4.831 -5.664 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.370 -4.680 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.396 -6.819 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.151 -5.878 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.139 -7.656 1.092 1.00 0.00 H new ATOM 1126 N ALA A 119 3.255 -9.427 -1.461 1.00 0.00 N ATOM 1127 CA ALA A 119 2.805 -10.812 -1.548 1.00 0.00 C ATOM 1128 C ALA A 119 3.914 -11.716 -2.074 1.00 0.00 C ATOM 1129 O ALA A 119 4.316 -12.671 -1.412 1.00 0.00 O ATOM 1130 CB ALA A 119 1.575 -10.910 -2.436 1.00 0.00 C ATOM 0 H ALA A 119 2.775 -8.787 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 119 2.543 -11.149 -0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.249 -11.949 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.774 -10.301 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.819 -10.551 -3.436 1.00 0.00 H new ATOM 1136 N GLY A 120 4.404 -11.408 -3.271 1.00 0.00 N ATOM 1137 CA GLY A 120 5.463 -12.202 -3.866 1.00 0.00 C ATOM 1138 C GLY A 120 4.975 -13.044 -5.028 1.00 0.00 C ATOM 1139 O GLY A 120 4.266 -14.032 -4.834 1.00 0.00 O ATOM 0 H GLY A 120 4.086 -10.623 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 120 6.259 -11.541 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.895 -12.853 -3.106 1.00 0.00 H new ATOM 1143 N HIS A 121 5.356 -12.654 -6.241 1.00 0.00 N ATOM 1144 CA HIS A 121 4.953 -13.379 -7.440 1.00 0.00 C ATOM 1145 C HIS A 121 5.814 -14.623 -7.640 1.00 0.00 C ATOM 1146 O HIS A 121 5.369 -15.611 -8.225 1.00 0.00 O ATOM 1147 CB HIS A 121 5.050 -12.469 -8.667 1.00 0.00 C ATOM 1148 CG HIS A 121 3.720 -12.097 -9.242 1.00 0.00 C ATOM 1149 ND1 HIS A 121 2.554 -12.092 -8.505 1.00 0.00 N ATOM 1150 CD2 HIS A 121 3.371 -11.713 -10.493 1.00 0.00 C ATOM 1151 CE1 HIS A 121 1.547 -11.724 -9.276 1.00 0.00 C ATOM 1152 NE2 HIS A 121 2.016 -11.487 -10.487 1.00 0.00 N ATOM 0 H HIS A 121 5.944 -11.839 -6.419 1.00 0.00 H new ATOM 0 HA HIS A 121 3.918 -13.696 -7.314 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.586 -11.560 -8.394 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.641 -12.969 -9.434 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.035 -11.605 -11.338 1.00 0.00 H new ATOM 0 HE1 HIS A 121 0.516 -11.633 -8.968 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.462 -11.185 -11.288 1.00 0.00 H new ATOM 1160 N ASN A 122 7.049 -14.569 -7.148 1.00 0.00 N ATOM 1161 CA ASN A 122 7.972 -15.692 -7.272 1.00 0.00 C ATOM 1162 C ASN A 122 8.300 -15.968 -8.737 1.00 0.00 C ATOM 1163 O ASN A 122 7.533 -15.613 -9.632 1.00 0.00 O ATOM 1164 CB ASN A 122 7.379 -16.945 -6.622 1.00 0.00 C ATOM 1165 CG ASN A 122 8.346 -17.609 -5.660 1.00 0.00 C ATOM 1166 OD1 ASN A 122 8.233 -17.455 -4.444 1.00 0.00 O ATOM 1167 ND2 ASN A 122 9.305 -18.352 -6.203 1.00 0.00 N ATOM 0 H ASN A 122 7.433 -13.760 -6.660 1.00 0.00 H new ATOM 0 HA ASN A 122 8.895 -15.429 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 122 6.466 -16.678 -6.089 1.00 0.00 H new ATOM 0 HB3 ASN A 122 7.098 -17.656 -7.399 1.00 0.00 H new ATOM 0 HD21 ASN A 122 9.985 -18.822 -5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 122 9.361 -18.452 -7.217 1.00 0.00 H new ATOM 1174 N GLU A 123 9.443 -16.603 -8.973 1.00 0.00 N ATOM 1175 CA GLU A 123 9.872 -16.926 -10.329 1.00 0.00 C ATOM 1176 C GLU A 123 8.899 -17.895 -10.991 1.00 0.00 C ATOM 1177 O GLU A 123 8.151 -17.518 -11.894 1.00 0.00 O ATOM 1178 CB GLU A 123 11.278 -17.530 -10.308 1.00 0.00 C ATOM 1179 CG GLU A 123 12.340 -16.585 -9.768 1.00 0.00 C ATOM 1180 CD GLU A 123 13.428 -16.287 -10.782 1.00 0.00 C ATOM 1181 OE1 GLU A 123 13.121 -16.265 -11.992 1.00 0.00 O ATOM 1182 OE2 GLU A 123 14.586 -16.076 -10.364 1.00 0.00 O ATOM 0 H GLU A 123 10.089 -16.904 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 123 9.888 -16.004 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.266 -18.435 -9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.551 -17.829 -11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.868 -15.651 -9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.790 -17.022 -8.876 1.00 0.00 H new ATOM 1189 N ARG A 124 8.913 -19.143 -10.538 1.00 0.00 N ATOM 1190 CA ARG A 124 8.031 -20.166 -11.088 1.00 0.00 C ATOM 1191 C ARG A 124 8.293 -20.366 -12.578 1.00 0.00 C ATOM 1192 O ARG A 124 9.153 -19.706 -13.161 1.00 0.00 O ATOM 1193 CB ARG A 124 6.567 -19.785 -10.861 1.00 0.00 C ATOM 1194 CG ARG A 124 5.956 -20.426 -9.626 1.00 0.00 C ATOM 1195 CD ARG A 124 5.560 -21.871 -9.889 1.00 0.00 C ATOM 1196 NE ARG A 124 4.518 -21.976 -10.909 1.00 0.00 N ATOM 1197 CZ ARG A 124 3.810 -23.081 -11.134 1.00 0.00 C ATOM 1198 NH1 ARG A 124 4.030 -24.176 -10.416 1.00 0.00 N ATOM 1199 NH2 ARG A 124 2.883 -23.092 -12.082 1.00 0.00 N ATOM 0 H ARG A 124 9.525 -19.471 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 124 8.238 -21.104 -10.572 1.00 0.00 H new ATOM 0 HB2 ARG A 124 6.492 -18.701 -10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.985 -20.074 -11.736 1.00 0.00 H new ATOM 0 HG2 ARG A 124 6.670 -20.387 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 124 5.079 -19.858 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 124 6.437 -22.435 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 124 5.208 -22.325 -8.963 1.00 0.00 H new ATOM 0 HE ARG A 124 4.322 -21.155 -11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.744 -24.173 -9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.485 -25.020 -10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 124 2.713 -22.254 -12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.340 -23.938 -12.255 1.00 0.00 H new ATOM 1213 N ARG A 125 7.546 -21.279 -13.191 1.00 0.00 N ATOM 1214 CA ARG A 125 7.697 -21.565 -14.612 1.00 0.00 C ATOM 1215 C ARG A 125 6.345 -21.540 -15.319 1.00 0.00 C ATOM 1216 O ARG A 125 5.300 -21.685 -14.685 1.00 0.00 O ATOM 1217 CB ARG A 125 8.368 -22.924 -14.814 1.00 0.00 C ATOM 1218 CG ARG A 125 9.885 -22.871 -14.743 1.00 0.00 C ATOM 1219 CD ARG A 125 10.465 -24.171 -14.209 1.00 0.00 C ATOM 1220 NE ARG A 125 11.798 -24.438 -14.743 1.00 0.00 N ATOM 1221 CZ ARG A 125 12.658 -25.295 -14.194 1.00 0.00 C ATOM 1222 NH1 ARG A 125 12.328 -25.970 -13.102 1.00 0.00 N ATOM 1223 NH2 ARG A 125 13.852 -25.476 -14.743 1.00 0.00 N ATOM 0 H ARG A 125 6.829 -21.834 -12.724 1.00 0.00 H new ATOM 0 HA ARG A 125 8.328 -20.790 -15.047 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.001 -23.617 -14.057 1.00 0.00 H new ATOM 0 HB3 ARG A 125 8.072 -23.325 -15.783 1.00 0.00 H new ATOM 0 HG2 ARG A 125 10.290 -22.672 -15.735 1.00 0.00 H new ATOM 0 HG3 ARG A 125 10.191 -22.044 -14.102 1.00 0.00 H new ATOM 0 HD2 ARG A 125 10.513 -24.126 -13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 125 9.800 -24.996 -14.465 1.00 0.00 H new ATOM 0 HE ARG A 125 12.087 -23.940 -15.585 1.00 0.00 H new ATOM 0 HH11 ARG A 125 11.411 -25.835 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 125 12.991 -26.624 -12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.110 -24.960 -15.584 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.512 -26.132 -14.324 1.00 0.00 H new ATOM 1237 N ARG A 126 6.375 -21.354 -16.635 1.00 0.00 N ATOM 1238 CA ARG A 126 5.151 -21.310 -17.428 1.00 0.00 C ATOM 1239 C ARG A 126 5.256 -22.228 -18.641 1.00 0.00 C ATOM 1240 O ARG A 126 4.424 -23.116 -18.834 1.00 0.00 O ATOM 1241 CB ARG A 126 4.864 -19.878 -17.881 1.00 0.00 C ATOM 1242 CG ARG A 126 3.401 -19.624 -18.208 1.00 0.00 C ATOM 1243 CD ARG A 126 3.108 -18.137 -18.332 1.00 0.00 C ATOM 1244 NE ARG A 126 2.646 -17.562 -17.072 1.00 0.00 N ATOM 1245 CZ ARG A 126 2.552 -16.252 -16.845 1.00 0.00 C ATOM 1246 NH1 ARG A 126 2.886 -15.382 -17.790 1.00 0.00 N ATOM 1247 NH2 ARG A 126 2.122 -15.813 -15.670 1.00 0.00 N ATOM 0 H ARG A 126 7.232 -21.231 -17.174 1.00 0.00 H new ATOM 0 HA ARG A 126 4.329 -21.657 -16.802 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.177 -19.188 -17.097 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.468 -19.656 -18.761 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.143 -20.126 -19.141 1.00 0.00 H new ATOM 0 HG3 ARG A 126 2.773 -20.056 -17.429 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.008 -17.617 -18.659 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.352 -17.980 -19.101 1.00 0.00 H new ATOM 0 HE ARG A 126 2.380 -18.200 -16.322 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.217 -15.715 -18.696 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.812 -14.381 -17.611 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.864 -16.478 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.050 -14.811 -15.495 1.00 0.00 H new ATOM 1261 N LYS A 127 6.282 -22.009 -19.456 1.00 0.00 N ATOM 1262 CA LYS A 127 6.497 -22.817 -20.651 1.00 0.00 C ATOM 1263 C LYS A 127 7.734 -23.695 -20.502 1.00 0.00 C ATOM 1264 O LYS A 127 8.549 -23.487 -19.602 1.00 0.00 O ATOM 1265 CB LYS A 127 6.639 -21.919 -21.881 1.00 0.00 C ATOM 1266 CG LYS A 127 5.338 -21.260 -22.306 1.00 0.00 C ATOM 1267 CD LYS A 127 5.588 -19.958 -23.047 1.00 0.00 C ATOM 1268 CE LYS A 127 5.870 -20.201 -24.521 1.00 0.00 C ATOM 1269 NZ LYS A 127 6.646 -19.085 -25.129 1.00 0.00 N ATOM 0 H LYS A 127 6.978 -21.278 -19.311 1.00 0.00 H new ATOM 0 HA LYS A 127 5.630 -23.464 -20.780 1.00 0.00 H new ATOM 0 HB2 LYS A 127 7.377 -21.145 -21.672 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.024 -22.512 -22.711 1.00 0.00 H new ATOM 0 HG2 LYS A 127 4.776 -21.941 -22.945 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.723 -21.067 -21.427 1.00 0.00 H new ATOM 0 HD2 LYS A 127 4.720 -19.307 -22.944 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.432 -19.437 -22.595 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.424 -21.133 -24.636 1.00 0.00 H new ATOM 0 HE3 LYS A 127 4.928 -20.322 -25.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.818 -19.289 -26.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.107 -18.200 -25.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.556 -18.986 -24.636 1.00 0.00 H new ATOM 1283 N SER A 128 7.868 -24.676 -21.387 1.00 0.00 N ATOM 1284 CA SER A 128 9.006 -25.587 -21.354 1.00 0.00 C ATOM 1285 C SER A 128 9.895 -25.395 -22.577 1.00 0.00 C ATOM 1286 O SER A 128 9.450 -24.887 -23.607 1.00 0.00 O ATOM 1287 CB SER A 128 8.522 -27.036 -21.282 1.00 0.00 C ATOM 1288 OG SER A 128 8.413 -27.472 -19.938 1.00 0.00 O ATOM 0 H SER A 128 7.202 -24.861 -22.137 1.00 0.00 H new ATOM 0 HA SER A 128 9.594 -25.362 -20.464 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.554 -27.124 -21.776 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.215 -27.681 -21.822 1.00 0.00 H new ATOM 0 HG SER A 128 8.100 -28.401 -19.920 1.00 0.00 H new ATOM 1294 N SER A 129 11.153 -25.806 -22.459 1.00 0.00 N ATOM 1295 CA SER A 129 12.105 -25.682 -23.557 1.00 0.00 C ATOM 1296 C SER A 129 12.054 -26.906 -24.462 1.00 0.00 C ATOM 1297 O SER A 129 11.935 -28.036 -23.991 1.00 0.00 O ATOM 1298 CB SER A 129 13.522 -25.496 -23.011 1.00 0.00 C ATOM 1299 OG SER A 129 13.813 -24.125 -22.799 1.00 0.00 O ATOM 0 H SER A 129 11.537 -26.228 -21.614 1.00 0.00 H new ATOM 0 HA SER A 129 11.831 -24.806 -24.145 1.00 0.00 H new ATOM 0 HB2 SER A 129 13.628 -26.042 -22.074 1.00 0.00 H new ATOM 0 HB3 SER A 129 14.243 -25.920 -23.710 1.00 0.00 H new ATOM 0 HG SER A 129 14.724 -24.034 -22.448 1.00 0.00 H new ATOM 1305 N GLY A 130 12.146 -26.675 -25.769 1.00 0.00 N ATOM 1306 CA GLY A 130 12.107 -27.769 -26.720 1.00 0.00 C ATOM 1307 C GLY A 130 12.384 -27.315 -28.140 1.00 0.00 C ATOM 1308 O GLY A 130 13.383 -26.647 -28.401 1.00 0.00 O ATOM 0 H GLY A 130 12.247 -25.749 -26.185 1.00 0.00 H new ATOM 0 HA2 GLY A 130 12.841 -28.522 -26.433 1.00 0.00 H new ATOM 0 HA3 GLY A 130 11.128 -28.247 -26.679 1.00 0.00 H new ATOM 1312 N GLU A 131 11.495 -27.679 -29.059 1.00 0.00 N ATOM 1313 CA GLU A 131 11.649 -27.305 -30.460 1.00 0.00 C ATOM 1314 C GLU A 131 10.314 -26.866 -31.056 1.00 0.00 C ATOM 1315 O GLU A 131 10.303 -26.444 -32.231 1.00 0.00 O ATOM 1316 CB GLU A 131 12.217 -28.477 -31.263 1.00 0.00 C ATOM 1317 CG GLU A 131 13.725 -28.623 -31.141 1.00 0.00 C ATOM 1318 CD GLU A 131 14.267 -29.778 -31.957 1.00 0.00 C ATOM 1319 OE1 GLU A 131 14.136 -30.937 -31.507 1.00 0.00 O ATOM 1320 OE2 GLU A 131 14.821 -29.527 -33.048 1.00 0.00 O ATOM 0 H GLU A 131 10.662 -28.232 -28.859 1.00 0.00 H new ATOM 0 HA GLU A 131 12.344 -26.467 -30.512 1.00 0.00 H new ATOM 0 HB2 GLU A 131 11.743 -29.400 -30.929 1.00 0.00 H new ATOM 0 HB3 GLU A 131 11.957 -28.347 -32.313 1.00 0.00 H new ATOM 0 HG2 GLU A 131 14.203 -27.699 -31.465 1.00 0.00 H new ATOM 0 HG3 GLU A 131 13.989 -28.768 -30.093 1.00 0.00 H new TER 1327 GLU A 131 HETATM 1328 ZN ZN A 138 -9.609 14.179 2.486 1.00 0.00 ZN HETATM 1329 ZN ZN A 139 0.156 0.186 -4.557 1.00 0.00 ZN