USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS :FLIP no HD1:sc= -2.11 F(o=-5.9,f=-4.5) USER MOD Set 1.2: A 90 MET CE :methyl -176:sc= -2.43 (180deg=-1.02) USER MOD Single : A 1 ILE N :NH3+ 169:sc= -0.08 (180deg=-0.392) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0301) USER MOD Single : A 12 GLN : amide:sc= -0.0114 K(o=-0.011,f=-1.4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 104:sc= 0.433 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0984 USER MOD Single : A 34 SER OG : rot 43:sc= -1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00648 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.8 K(o=-1.8,f=-8.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 152:sc= -0.059 (180deg=-0.976) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= -0.124 (180deg=-0.16) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.039) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.066 F(o=-1.2!,f=-0.066) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 70:sc= -0.744 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -4.57! C(o=-4.6!,f=-6.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -16.114 22.034 10.381 1.00 0.00 N ATOM 2 CA ILE A 1 -15.349 21.186 11.279 1.00 0.00 C ATOM 3 C ILE A 1 -14.003 20.850 10.633 1.00 0.00 C ATOM 4 O ILE A 1 -13.715 19.686 10.359 1.00 0.00 O ATOM 5 CB ILE A 1 -16.164 19.954 11.677 1.00 0.00 C ATOM 6 CG1 ILE A 1 -17.086 19.515 10.537 1.00 0.00 C ATOM 7 CG2 ILE A 1 -16.936 20.203 12.975 1.00 0.00 C ATOM 8 CD1 ILE A 1 -17.609 18.096 10.771 1.00 0.00 C ATOM 0 H1 ILE A 1 -17.092 22.112 10.726 1.00 0.00 H new ATOM 0 H2 ILE A 1 -15.683 22.980 10.345 1.00 0.00 H new ATOM 0 H3 ILE A 1 -16.116 21.618 9.428 1.00 0.00 H new ATOM 0 HA ILE A 1 -15.135 21.712 12.209 1.00 0.00 H new ATOM 0 HB ILE A 1 -15.472 19.133 11.866 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -17.924 20.207 10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -16.546 19.556 9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -17.507 19.312 13.235 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -16.235 20.432 13.777 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -17.617 21.043 12.838 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -18.262 17.808 9.947 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -16.769 17.403 10.828 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -18.169 18.064 11.705 1.00 0.00 H new ATOM 20 N SER A 2 -13.215 21.891 10.408 1.00 0.00 N ATOM 21 CA SER A 2 -11.906 21.721 9.799 1.00 0.00 C ATOM 22 C SER A 2 -11.022 20.851 10.695 1.00 0.00 C ATOM 23 O SER A 2 -10.981 21.045 11.909 1.00 0.00 O ATOM 24 CB SER A 2 -11.237 23.073 9.545 1.00 0.00 C ATOM 25 OG SER A 2 -10.882 23.730 10.758 1.00 0.00 O ATOM 0 H SER A 2 -13.457 22.855 10.636 1.00 0.00 H new ATOM 0 HA SER A 2 -12.037 21.225 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.344 22.927 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.912 23.709 8.972 1.00 0.00 H new ATOM 0 HG SER A 2 -10.456 24.588 10.553 1.00 0.00 H new ATOM 31 N GLU A 3 -10.335 19.912 10.061 1.00 0.00 N ATOM 32 CA GLU A 3 -9.453 19.012 10.786 1.00 0.00 C ATOM 33 C GLU A 3 -8.118 18.872 10.052 1.00 0.00 C ATOM 34 O GLU A 3 -8.056 19.030 8.833 1.00 0.00 O ATOM 35 CB GLU A 3 -10.112 17.647 10.991 1.00 0.00 C ATOM 36 CG GLU A 3 -10.337 17.365 12.478 1.00 0.00 C ATOM 37 CD GLU A 3 -11.699 16.706 12.711 1.00 0.00 C ATOM 38 OE1 GLU A 3 -11.747 15.460 12.630 1.00 0.00 O ATOM 39 OE2 GLU A 3 -12.660 17.464 12.964 1.00 0.00 O ATOM 0 H GLU A 3 -10.371 19.755 9.054 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.261 19.438 11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.065 17.616 10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.484 16.867 10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.546 16.715 12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.278 18.296 13.041 1.00 0.00 H new ATOM 46 N PHE A 4 -7.083 18.577 10.824 1.00 0.00 N ATOM 47 CA PHE A 4 -5.753 18.414 10.262 1.00 0.00 C ATOM 48 C PHE A 4 -5.226 16.998 10.502 1.00 0.00 C ATOM 49 O PHE A 4 -5.054 16.581 11.647 1.00 0.00 O ATOM 50 CB PHE A 4 -4.840 19.413 10.976 1.00 0.00 C ATOM 51 CG PHE A 4 -3.971 20.247 10.033 1.00 0.00 C ATOM 52 CD1 PHE A 4 -2.847 19.707 9.489 1.00 0.00 C ATOM 53 CD2 PHE A 4 -4.322 21.527 9.737 1.00 0.00 C ATOM 54 CE1 PHE A 4 -2.040 20.481 8.613 1.00 0.00 C ATOM 55 CE2 PHE A 4 -3.516 22.300 8.862 1.00 0.00 C ATOM 56 CZ PHE A 4 -2.391 21.761 8.318 1.00 0.00 C ATOM 0 H PHE A 4 -7.138 18.447 11.834 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.781 18.585 9.186 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.453 20.084 11.577 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.193 18.870 11.665 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.568 18.690 9.723 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.215 21.955 10.168 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.148 20.053 8.181 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.795 23.317 8.628 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.777 22.350 7.652 1.00 0.00 H new ATOM 66 N ALA A 5 -4.984 16.297 9.405 1.00 0.00 N ATOM 67 CA ALA A 5 -4.481 14.936 9.482 1.00 0.00 C ATOM 68 C ALA A 5 -3.923 14.525 8.117 1.00 0.00 C ATOM 69 O ALA A 5 -4.311 15.081 7.091 1.00 0.00 O ATOM 70 CB ALA A 5 -5.596 14.005 9.960 1.00 0.00 C ATOM 0 H ALA A 5 -5.127 16.646 8.457 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.668 14.868 10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.218 12.984 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.937 14.322 10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.429 14.044 9.258 1.00 0.00 H new ATOM 76 N PRO A 6 -2.998 13.529 8.151 1.00 0.00 N ATOM 77 CA PRO A 6 -2.383 13.037 6.929 1.00 0.00 C ATOM 78 C PRO A 6 -3.355 12.155 6.143 1.00 0.00 C ATOM 79 O PRO A 6 -4.516 12.014 6.522 1.00 0.00 O ATOM 80 CB PRO A 6 -1.140 12.291 7.387 1.00 0.00 C ATOM 81 CG PRO A 6 -1.352 11.995 8.863 1.00 0.00 C ATOM 82 CD PRO A 6 -2.514 12.847 9.347 1.00 0.00 C ATOM 0 HA PRO A 6 -2.118 13.838 6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.006 11.370 6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.244 12.893 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.566 10.937 9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.450 12.222 9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.295 12.233 9.796 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.193 13.560 10.106 1.00 0.00 H new ATOM 90 N VAL A 7 -2.843 11.583 5.063 1.00 0.00 N ATOM 91 CA VAL A 7 -3.651 10.718 4.220 1.00 0.00 C ATOM 92 C VAL A 7 -2.852 9.461 3.873 1.00 0.00 C ATOM 93 O VAL A 7 -1.735 9.550 3.366 1.00 0.00 O ATOM 94 CB VAL A 7 -4.125 11.486 2.984 1.00 0.00 C ATOM 95 CG1 VAL A 7 -4.844 10.557 2.004 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.017 12.664 3.379 1.00 0.00 C ATOM 0 H VAL A 7 -1.879 11.702 4.752 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.548 10.397 4.750 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.245 11.887 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.171 11.128 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.163 9.768 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.711 10.113 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.340 13.193 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.890 12.295 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.457 13.345 4.020 1.00 0.00 H new ATOM 106 N ASP A 8 -3.456 8.317 4.161 1.00 0.00 N ATOM 107 CA ASP A 8 -2.815 7.042 3.885 1.00 0.00 C ATOM 108 C ASP A 8 -3.715 6.210 2.970 1.00 0.00 C ATOM 109 O ASP A 8 -4.937 6.357 2.995 1.00 0.00 O ATOM 110 CB ASP A 8 -2.589 6.249 5.174 1.00 0.00 C ATOM 111 CG ASP A 8 -3.823 6.103 6.068 1.00 0.00 C ATOM 112 OD1 ASP A 8 -4.853 6.719 5.719 1.00 0.00 O ATOM 113 OD2 ASP A 8 -3.708 5.378 7.079 1.00 0.00 O ATOM 0 H ASP A 8 -4.382 8.246 4.583 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.854 7.244 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.229 5.254 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.799 6.734 5.747 1.00 0.00 H new ATOM 118 N CYS A 9 -3.078 5.355 2.184 1.00 0.00 N ATOM 119 CA CYS A 9 -3.806 4.500 1.262 1.00 0.00 C ATOM 120 C CYS A 9 -4.368 3.314 2.050 1.00 0.00 C ATOM 121 O CYS A 9 -4.092 2.161 1.723 1.00 0.00 O ATOM 122 CB CYS A 9 -2.926 4.045 0.097 1.00 0.00 C ATOM 123 SG CYS A 9 -3.749 4.059 -1.538 1.00 0.00 S ATOM 0 H CYS A 9 -2.065 5.236 2.167 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.627 5.060 0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.047 4.688 0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.571 3.035 0.301 1.00 0.00 H new ATOM 128 N LYS A 10 -5.147 3.639 3.071 1.00 0.00 N ATOM 129 CA LYS A 10 -5.750 2.616 3.908 1.00 0.00 C ATOM 130 C LYS A 10 -7.190 2.373 3.451 1.00 0.00 C ATOM 131 O LYS A 10 -7.460 1.426 2.714 1.00 0.00 O ATOM 132 CB LYS A 10 -5.629 2.991 5.386 1.00 0.00 C ATOM 133 CG LYS A 10 -5.001 1.852 6.191 1.00 0.00 C ATOM 134 CD LYS A 10 -5.668 1.716 7.561 1.00 0.00 C ATOM 135 CE LYS A 10 -4.835 0.834 8.492 1.00 0.00 C ATOM 136 NZ LYS A 10 -3.682 1.591 9.030 1.00 0.00 N ATOM 0 H LYS A 10 -5.375 4.597 3.338 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.216 1.672 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.022 3.891 5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.615 3.224 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.098 0.916 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.934 2.037 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.795 2.703 8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.664 1.288 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.455 0.473 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.481 -0.043 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.206 1.025 9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.013 1.797 8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.016 2.484 9.446 1.00 0.00 H new ATOM 150 N GLY A 11 -8.077 3.246 3.907 1.00 0.00 N ATOM 151 CA GLY A 11 -9.482 3.139 3.554 1.00 0.00 C ATOM 152 C GLY A 11 -9.699 3.436 2.069 1.00 0.00 C ATOM 153 O GLY A 11 -10.801 3.260 1.551 1.00 0.00 O ATOM 0 H GLY A 11 -7.849 4.030 4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.843 2.137 3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.066 3.835 4.157 1.00 0.00 H new ATOM 157 N GLN A 12 -8.630 3.882 1.425 1.00 0.00 N ATOM 158 CA GLN A 12 -8.690 4.206 0.010 1.00 0.00 C ATOM 159 C GLN A 12 -8.221 3.014 -0.827 1.00 0.00 C ATOM 160 O GLN A 12 -8.573 2.898 -2.000 1.00 0.00 O ATOM 161 CB GLN A 12 -7.863 5.455 -0.302 1.00 0.00 C ATOM 162 CG GLN A 12 -8.676 6.727 -0.052 1.00 0.00 C ATOM 163 CD GLN A 12 -9.480 7.117 -1.293 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.355 6.399 -1.749 1.00 0.00 O ATOM 165 NE2 GLN A 12 -9.136 8.292 -1.814 1.00 0.00 N ATOM 0 H GLN A 12 -7.718 4.026 1.857 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.726 4.423 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.966 5.465 0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.534 5.428 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.352 6.571 0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.007 7.542 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.394 8.844 -1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.614 8.641 -2.645 1.00 0.00 H new ATOM 174 N CYS A 13 -7.432 2.160 -0.192 1.00 0.00 N ATOM 175 CA CYS A 13 -6.911 0.981 -0.863 1.00 0.00 C ATOM 176 C CYS A 13 -7.737 -0.229 -0.420 1.00 0.00 C ATOM 177 O CYS A 13 -7.252 -1.074 0.331 1.00 0.00 O ATOM 178 CB CYS A 13 -5.419 0.786 -0.587 1.00 0.00 C ATOM 179 SG CYS A 13 -4.329 2.055 -1.327 1.00 0.00 S ATOM 0 H CYS A 13 -7.141 2.261 0.780 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.000 1.105 -1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.262 0.776 0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.120 -0.193 -0.961 1.00 0.00 H new ATOM 184 N THR A 14 -8.969 -0.273 -0.905 1.00 0.00 N ATOM 185 CA THR A 14 -9.866 -1.365 -0.569 1.00 0.00 C ATOM 186 C THR A 14 -10.154 -2.219 -1.805 1.00 0.00 C ATOM 187 O THR A 14 -10.228 -3.444 -1.715 1.00 0.00 O ATOM 188 CB THR A 14 -11.125 -0.766 0.062 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.751 -0.520 1.415 1.00 0.00 O ATOM 190 CG2 THR A 14 -12.266 -1.780 0.169 1.00 0.00 C ATOM 0 H THR A 14 -9.367 0.430 -1.528 1.00 0.00 H new ATOM 0 HA THR A 14 -9.411 -2.041 0.155 1.00 0.00 H new ATOM 0 HB THR A 14 -11.455 0.090 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.509 -0.129 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.135 -1.304 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.528 -2.139 -0.826 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.949 -2.621 0.786 1.00 0.00 H new ATOM 198 N THR A 15 -10.309 -1.539 -2.932 1.00 0.00 N ATOM 199 CA THR A 15 -10.587 -2.220 -4.185 1.00 0.00 C ATOM 200 C THR A 15 -9.318 -2.881 -4.726 1.00 0.00 C ATOM 201 O THR A 15 -9.347 -4.035 -5.150 1.00 0.00 O ATOM 202 CB THR A 15 -11.201 -1.203 -5.149 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.595 -1.500 -5.126 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.791 -1.452 -6.602 1.00 0.00 C ATOM 0 H THR A 15 -10.247 -0.523 -3.003 1.00 0.00 H new ATOM 0 HA THR A 15 -11.303 -3.030 -4.045 1.00 0.00 H new ATOM 0 HB THR A 15 -10.901 -0.197 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.070 -0.885 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.254 -0.703 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.707 -1.386 -6.691 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.120 -2.445 -6.908 1.00 0.00 H new ATOM 212 N PRO A 16 -8.205 -2.100 -4.692 1.00 0.00 N ATOM 213 CA PRO A 16 -6.927 -2.598 -5.174 1.00 0.00 C ATOM 214 C PRO A 16 -6.310 -3.581 -4.177 1.00 0.00 C ATOM 215 O PRO A 16 -5.375 -4.306 -4.512 1.00 0.00 O ATOM 216 CB PRO A 16 -6.077 -1.356 -5.387 1.00 0.00 C ATOM 217 CG PRO A 16 -6.742 -0.252 -4.582 1.00 0.00 C ATOM 218 CD PRO A 16 -8.133 -0.729 -4.197 1.00 0.00 C ATOM 0 HA PRO A 16 -7.019 -3.166 -6.100 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.053 -1.521 -5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.028 -1.093 -6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.157 -0.024 -3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.802 0.665 -5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.281 -0.689 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.905 -0.104 -4.647 1.00 0.00 H new ATOM 226 N CYS A 17 -6.859 -3.573 -2.971 1.00 0.00 N ATOM 227 CA CYS A 17 -6.374 -4.455 -1.922 1.00 0.00 C ATOM 228 C CYS A 17 -7.538 -5.330 -1.454 1.00 0.00 C ATOM 229 O CYS A 17 -7.502 -5.881 -0.355 1.00 0.00 O ATOM 230 CB CYS A 17 -5.749 -3.670 -0.767 1.00 0.00 C ATOM 231 SG CYS A 17 -4.311 -2.638 -1.230 1.00 0.00 S ATOM 0 H CYS A 17 -7.635 -2.970 -2.697 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.579 -5.089 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.512 -3.028 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.440 -4.373 0.006 1.00 0.00 H new ATOM 236 N GLU A 18 -8.544 -5.429 -2.311 1.00 0.00 N ATOM 237 CA GLU A 18 -9.717 -6.227 -1.998 1.00 0.00 C ATOM 238 C GLU A 18 -9.363 -7.716 -2.002 1.00 0.00 C ATOM 239 O GLU A 18 -9.578 -8.411 -1.010 1.00 0.00 O ATOM 240 CB GLU A 18 -10.857 -5.933 -2.976 1.00 0.00 C ATOM 241 CG GLU A 18 -12.083 -5.388 -2.240 1.00 0.00 C ATOM 242 CD GLU A 18 -13.364 -6.065 -2.733 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.360 -7.314 -2.790 1.00 0.00 O ATOM 244 OE2 GLU A 18 -14.317 -5.319 -3.042 1.00 0.00 O ATOM 0 H GLU A 18 -8.571 -4.970 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.060 -5.957 -0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.525 -5.210 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.125 -6.843 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.970 -5.551 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.154 -4.311 -2.393 1.00 0.00 H new ATOM 251 N PRO A 19 -8.811 -8.173 -3.157 1.00 0.00 N ATOM 252 CA PRO A 19 -8.424 -9.566 -3.303 1.00 0.00 C ATOM 253 C PRO A 19 -7.137 -9.861 -2.531 1.00 0.00 C ATOM 254 O PRO A 19 -6.909 -10.993 -2.106 1.00 0.00 O ATOM 255 CB PRO A 19 -8.281 -9.780 -4.801 1.00 0.00 C ATOM 256 CG PRO A 19 -8.137 -8.394 -5.408 1.00 0.00 C ATOM 257 CD PRO A 19 -8.541 -7.378 -4.352 1.00 0.00 C ATOM 0 HA PRO A 19 -9.160 -10.253 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.411 -10.397 -5.026 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.151 -10.296 -5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.109 -8.223 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.767 -8.297 -6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.746 -6.654 -4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.422 -6.815 -4.661 1.00 0.00 H new ATOM 265 N LEU A 20 -6.328 -8.823 -2.373 1.00 0.00 N ATOM 266 CA LEU A 20 -5.069 -8.957 -1.659 1.00 0.00 C ATOM 267 C LEU A 20 -5.353 -9.206 -0.176 1.00 0.00 C ATOM 268 O LEU A 20 -4.927 -10.217 0.380 1.00 0.00 O ATOM 269 CB LEU A 20 -4.174 -7.744 -1.919 1.00 0.00 C ATOM 270 CG LEU A 20 -3.092 -7.472 -0.872 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.638 -6.610 0.269 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.482 -8.779 -0.362 1.00 0.00 C ATOM 0 H LEU A 20 -6.520 -7.886 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.512 -9.819 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.690 -7.875 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.807 -6.860 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.290 -6.907 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.849 -6.431 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.986 -5.657 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.468 -7.127 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.716 -8.557 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.261 -9.391 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.034 -9.321 -1.195 1.00 0.00 H new ATOM 284 N THR A 21 -6.070 -8.266 0.422 1.00 0.00 N ATOM 285 CA THR A 21 -6.415 -8.371 1.830 1.00 0.00 C ATOM 286 C THR A 21 -7.066 -9.724 2.120 1.00 0.00 C ATOM 287 O THR A 21 -6.647 -10.436 3.032 1.00 0.00 O ATOM 288 CB THR A 21 -7.305 -7.179 2.188 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.410 -6.071 2.209 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.837 -7.255 3.621 1.00 0.00 C ATOM 0 H THR A 21 -6.421 -7.429 -0.042 1.00 0.00 H new ATOM 0 HA THR A 21 -5.526 -8.332 2.459 1.00 0.00 H new ATOM 0 HB THR A 21 -8.142 -7.130 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.530 -5.538 1.396 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.462 -6.386 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.428 -8.163 3.742 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.000 -7.271 4.319 1.00 0.00 H new ATOM 298 N ALA A 22 -8.079 -10.040 1.327 1.00 0.00 N ATOM 299 CA ALA A 22 -8.792 -11.296 1.487 1.00 0.00 C ATOM 300 C ALA A 22 -7.784 -12.445 1.552 1.00 0.00 C ATOM 301 O ALA A 22 -7.945 -13.373 2.343 1.00 0.00 O ATOM 302 CB ALA A 22 -9.795 -11.464 0.344 1.00 0.00 C ATOM 0 H ALA A 22 -8.423 -9.448 0.571 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.357 -11.300 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.329 -12.406 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.507 -10.639 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.264 -11.467 -0.608 1.00 0.00 H new ATOM 308 N CYS A 23 -6.766 -12.345 0.710 1.00 0.00 N ATOM 309 CA CYS A 23 -5.732 -13.365 0.661 1.00 0.00 C ATOM 310 C CYS A 23 -4.975 -13.344 1.990 1.00 0.00 C ATOM 311 O CYS A 23 -4.812 -14.380 2.633 1.00 0.00 O ATOM 312 CB CYS A 23 -4.796 -13.165 -0.532 1.00 0.00 C ATOM 313 SG CYS A 23 -4.073 -14.704 -1.207 1.00 0.00 S ATOM 0 H CYS A 23 -6.635 -11.573 0.056 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.189 -14.344 0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.346 -12.660 -1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.986 -12.500 -0.233 1.00 0.00 H new ATOM 318 N LYS A 24 -4.531 -12.153 2.364 1.00 0.00 N ATOM 319 CA LYS A 24 -3.795 -11.983 3.605 1.00 0.00 C ATOM 320 C LYS A 24 -4.645 -12.492 4.771 1.00 0.00 C ATOM 321 O LYS A 24 -4.153 -13.222 5.630 1.00 0.00 O ATOM 322 CB LYS A 24 -3.339 -10.531 3.764 1.00 0.00 C ATOM 323 CG LYS A 24 -1.820 -10.414 3.616 1.00 0.00 C ATOM 324 CD LYS A 24 -1.416 -8.992 3.224 1.00 0.00 C ATOM 325 CE LYS A 24 -1.395 -8.071 4.446 1.00 0.00 C ATOM 326 NZ LYS A 24 -2.466 -7.054 4.347 1.00 0.00 N ATOM 0 H LYS A 24 -4.667 -11.296 1.829 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.883 -12.579 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.830 -9.908 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.643 -10.156 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.337 -10.687 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.469 -11.117 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.431 -9.006 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.114 -8.603 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.527 -8.659 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.425 -7.580 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.438 -6.437 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.323 -6.482 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.391 -7.527 4.297 1.00 0.00 H new ATOM 340 N GLU A 25 -5.906 -12.087 4.763 1.00 0.00 N ATOM 341 CA GLU A 25 -6.829 -12.492 5.809 1.00 0.00 C ATOM 342 C GLU A 25 -6.894 -14.019 5.897 1.00 0.00 C ATOM 343 O GLU A 25 -6.445 -14.607 6.880 1.00 0.00 O ATOM 344 CB GLU A 25 -8.219 -11.898 5.575 1.00 0.00 C ATOM 345 CG GLU A 25 -8.613 -10.958 6.716 1.00 0.00 C ATOM 346 CD GLU A 25 -9.471 -11.685 7.754 1.00 0.00 C ATOM 347 OE1 GLU A 25 -9.006 -12.741 8.234 1.00 0.00 O ATOM 348 OE2 GLU A 25 -10.571 -11.168 8.043 1.00 0.00 O ATOM 0 H GLU A 25 -6.310 -11.482 4.048 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.461 -12.107 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.232 -11.354 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.952 -12.700 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.716 -10.563 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.163 -10.106 6.317 1.00 0.00 H new ATOM 355 N LYS A 26 -7.455 -14.616 4.857 1.00 0.00 N ATOM 356 CA LYS A 26 -7.585 -16.063 4.805 1.00 0.00 C ATOM 357 C LYS A 26 -6.317 -16.704 5.373 1.00 0.00 C ATOM 358 O LYS A 26 -6.388 -17.718 6.066 1.00 0.00 O ATOM 359 CB LYS A 26 -7.921 -16.520 3.384 1.00 0.00 C ATOM 360 CG LYS A 26 -8.724 -17.822 3.402 1.00 0.00 C ATOM 361 CD LYS A 26 -7.892 -18.987 2.861 1.00 0.00 C ATOM 362 CE LYS A 26 -8.792 -20.104 2.331 1.00 0.00 C ATOM 363 NZ LYS A 26 -8.307 -20.582 1.017 1.00 0.00 N ATOM 0 H LYS A 26 -7.825 -14.125 4.043 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.417 -16.394 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.492 -15.744 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.001 -16.664 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.045 -18.042 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.626 -17.705 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.239 -18.632 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.249 -19.377 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.811 -20.931 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.815 -19.741 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.930 -21.340 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.311 -19.794 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.339 -20.948 1.117 1.00 0.00 H new ATOM 377 N CYS A 27 -5.188 -16.087 5.058 1.00 0.00 N ATOM 378 CA CYS A 27 -3.906 -16.586 5.528 1.00 0.00 C ATOM 379 C CYS A 27 -3.840 -16.386 7.044 1.00 0.00 C ATOM 380 O CYS A 27 -3.712 -17.350 7.796 1.00 0.00 O ATOM 381 CB CYS A 27 -2.738 -15.907 4.812 1.00 0.00 C ATOM 382 SG CYS A 27 -2.637 -16.247 3.016 1.00 0.00 S ATOM 0 H CYS A 27 -5.134 -15.246 4.483 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.819 -17.648 5.298 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.816 -14.830 4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.807 -16.226 5.281 1.00 0.00 H new ATOM 387 N ALA A 28 -3.931 -15.127 7.447 1.00 0.00 N ATOM 388 CA ALA A 28 -3.883 -14.788 8.859 1.00 0.00 C ATOM 389 C ALA A 28 -4.724 -15.792 9.649 1.00 0.00 C ATOM 390 O ALA A 28 -4.249 -16.377 10.621 1.00 0.00 O ATOM 391 CB ALA A 28 -4.360 -13.347 9.055 1.00 0.00 C ATOM 0 H ALA A 28 -4.038 -14.329 6.820 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.861 -14.847 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.324 -13.093 10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.713 -12.670 8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.384 -13.250 8.693 1.00 0.00 H new ATOM 397 N GLU A 29 -5.960 -15.962 9.202 1.00 0.00 N ATOM 398 CA GLU A 29 -6.872 -16.885 9.855 1.00 0.00 C ATOM 399 C GLU A 29 -6.220 -18.262 9.999 1.00 0.00 C ATOM 400 O GLU A 29 -6.166 -18.816 11.096 1.00 0.00 O ATOM 401 CB GLU A 29 -8.194 -16.982 9.092 1.00 0.00 C ATOM 402 CG GLU A 29 -9.150 -15.861 9.506 1.00 0.00 C ATOM 403 CD GLU A 29 -9.577 -16.017 10.967 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.500 -16.825 11.206 1.00 0.00 O ATOM 405 OE2 GLU A 29 -8.971 -15.323 11.812 1.00 0.00 O ATOM 0 H GLU A 29 -6.351 -15.476 8.395 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.093 -16.503 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.004 -16.926 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.658 -17.950 9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.665 -14.895 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.030 -15.872 8.863 1.00 0.00 H new ATOM 412 N SER A 30 -5.740 -18.775 8.876 1.00 0.00 N ATOM 413 CA SER A 30 -5.094 -20.076 8.863 1.00 0.00 C ATOM 414 C SER A 30 -3.858 -20.056 9.765 1.00 0.00 C ATOM 415 O SER A 30 -3.493 -21.076 10.347 1.00 0.00 O ATOM 416 CB SER A 30 -4.707 -20.485 7.440 1.00 0.00 C ATOM 417 OG SER A 30 -5.026 -21.847 7.170 1.00 0.00 O ATOM 0 H SER A 30 -5.786 -18.313 7.968 1.00 0.00 H new ATOM 0 HA SER A 30 -5.801 -20.813 9.244 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.223 -19.843 6.726 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.638 -20.328 7.296 1.00 0.00 H new ATOM 0 HG SER A 30 -4.765 -22.068 6.252 1.00 0.00 H new ATOM 423 N CYS A 31 -3.248 -18.883 9.852 1.00 0.00 N ATOM 424 CA CYS A 31 -2.061 -18.716 10.673 1.00 0.00 C ATOM 425 C CYS A 31 -2.489 -18.140 12.024 1.00 0.00 C ATOM 426 O CYS A 31 -1.873 -17.200 12.525 1.00 0.00 O ATOM 427 CB CYS A 31 -1.015 -17.838 9.983 1.00 0.00 C ATOM 428 SG CYS A 31 -0.345 -18.523 8.424 1.00 0.00 S ATOM 0 H CYS A 31 -3.554 -18.039 9.367 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.583 -19.683 10.827 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.459 -16.865 9.774 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.189 -17.670 10.674 1.00 0.00 H new ATOM 433 N GLU A 32 -3.540 -18.727 12.576 1.00 0.00 N ATOM 434 CA GLU A 32 -4.057 -18.284 13.860 1.00 0.00 C ATOM 435 C GLU A 32 -3.074 -18.637 14.978 1.00 0.00 C ATOM 436 O GLU A 32 -2.426 -17.755 15.541 1.00 0.00 O ATOM 437 CB GLU A 32 -5.437 -18.886 14.132 1.00 0.00 C ATOM 438 CG GLU A 32 -6.522 -17.808 14.096 1.00 0.00 C ATOM 439 CD GLU A 32 -7.705 -18.190 14.987 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.445 -18.525 16.163 1.00 0.00 O ATOM 441 OE2 GLU A 32 -8.843 -18.139 14.473 1.00 0.00 O ATOM 0 H GLU A 32 -4.048 -19.506 12.158 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.169 -17.200 13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.656 -19.653 13.389 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.438 -19.376 15.106 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.105 -16.857 14.427 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.865 -17.666 13.071 1.00 0.00 H new ATOM 448 N THR A 33 -2.995 -19.927 15.267 1.00 0.00 N ATOM 449 CA THR A 33 -2.102 -20.407 16.308 1.00 0.00 C ATOM 450 C THR A 33 -0.769 -20.854 15.704 1.00 0.00 C ATOM 451 O THR A 33 -0.320 -21.974 15.942 1.00 0.00 O ATOM 452 CB THR A 33 -2.824 -21.517 17.076 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.538 -22.228 16.068 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.919 -20.975 17.997 1.00 0.00 C ATOM 0 H THR A 33 -3.535 -20.655 14.799 1.00 0.00 H new ATOM 0 HA THR A 33 -1.853 -19.613 17.012 1.00 0.00 H new ATOM 0 HB THR A 33 -2.101 -22.081 17.665 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.034 -22.967 16.478 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.399 -21.803 18.518 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.478 -20.295 18.726 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.661 -20.440 17.404 1.00 0.00 H new ATOM 462 N SER A 34 -0.175 -19.955 14.933 1.00 0.00 N ATOM 463 CA SER A 34 1.098 -20.243 14.293 1.00 0.00 C ATOM 464 C SER A 34 2.240 -19.609 15.089 1.00 0.00 C ATOM 465 O SER A 34 2.227 -18.407 15.349 1.00 0.00 O ATOM 466 CB SER A 34 1.114 -19.739 12.849 1.00 0.00 C ATOM 467 OG SER A 34 0.422 -18.501 12.708 1.00 0.00 O ATOM 0 H SER A 34 -0.551 -19.027 14.737 1.00 0.00 H new ATOM 0 HA SER A 34 1.234 -21.324 14.274 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.146 -19.617 12.519 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.657 -20.486 12.199 1.00 0.00 H new ATOM 0 HG SER A 34 0.657 -17.908 13.452 1.00 0.00 H new ATOM 473 N ALA A 35 3.200 -20.446 15.455 1.00 0.00 N ATOM 474 CA ALA A 35 4.347 -19.983 16.216 1.00 0.00 C ATOM 475 C ALA A 35 4.990 -18.799 15.491 1.00 0.00 C ATOM 476 O ALA A 35 5.175 -17.733 16.077 1.00 0.00 O ATOM 477 CB ALA A 35 5.325 -21.141 16.423 1.00 0.00 C ATOM 0 H ALA A 35 3.206 -21.443 15.238 1.00 0.00 H new ATOM 0 HA ALA A 35 4.038 -19.638 17.203 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.186 -20.793 16.994 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.828 -21.944 16.968 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.659 -21.513 15.454 1.00 0.00 H new ATOM 483 N ASP A 36 5.314 -19.026 14.227 1.00 0.00 N ATOM 484 CA ASP A 36 5.933 -17.991 13.416 1.00 0.00 C ATOM 485 C ASP A 36 4.896 -17.422 12.445 1.00 0.00 C ATOM 486 O ASP A 36 5.066 -17.506 11.230 1.00 0.00 O ATOM 487 CB ASP A 36 7.092 -18.556 12.592 1.00 0.00 C ATOM 488 CG ASP A 36 8.068 -19.439 13.371 1.00 0.00 C ATOM 489 OD1 ASP A 36 8.249 -19.160 14.576 1.00 0.00 O ATOM 490 OD2 ASP A 36 8.613 -20.374 12.744 1.00 0.00 O ATOM 0 H ASP A 36 5.160 -19.911 13.744 1.00 0.00 H new ATOM 0 HA ASP A 36 6.310 -17.218 14.086 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.682 -19.136 11.765 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.646 -17.725 12.155 1.00 0.00 H new ATOM 495 N LYS A 37 3.845 -16.854 13.018 1.00 0.00 N ATOM 496 CA LYS A 37 2.781 -16.271 12.219 1.00 0.00 C ATOM 497 C LYS A 37 3.393 -15.494 11.052 1.00 0.00 C ATOM 498 O LYS A 37 3.012 -15.695 9.899 1.00 0.00 O ATOM 499 CB LYS A 37 1.850 -15.432 13.096 1.00 0.00 C ATOM 500 CG LYS A 37 0.525 -15.156 12.382 1.00 0.00 C ATOM 501 CD LYS A 37 -0.412 -14.330 13.266 1.00 0.00 C ATOM 502 CE LYS A 37 -1.029 -15.193 14.368 1.00 0.00 C ATOM 503 NZ LYS A 37 -0.605 -14.711 15.702 1.00 0.00 N ATOM 0 H LYS A 37 3.708 -16.785 14.026 1.00 0.00 H new ATOM 0 HA LYS A 37 2.156 -17.053 11.789 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.660 -15.954 14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.334 -14.489 13.348 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.714 -14.624 11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.046 -16.099 12.119 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.139 -13.503 13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.203 -13.893 12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.116 -15.166 14.294 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.726 -16.232 14.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.033 -15.308 16.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.431 -14.759 15.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.915 -13.727 15.830 1.00 0.00 H new ATOM 517 N LYS A 38 4.331 -14.621 11.391 1.00 0.00 N ATOM 518 CA LYS A 38 4.999 -13.813 10.386 1.00 0.00 C ATOM 519 C LYS A 38 5.356 -14.691 9.185 1.00 0.00 C ATOM 520 O LYS A 38 4.835 -14.491 8.089 1.00 0.00 O ATOM 521 CB LYS A 38 6.200 -13.086 10.995 1.00 0.00 C ATOM 522 CG LYS A 38 6.251 -11.629 10.533 1.00 0.00 C ATOM 523 CD LYS A 38 7.663 -11.056 10.678 1.00 0.00 C ATOM 524 CE LYS A 38 8.013 -10.153 9.494 1.00 0.00 C ATOM 525 NZ LYS A 38 7.486 -8.787 9.712 1.00 0.00 N ATOM 0 H LYS A 38 4.644 -14.456 12.348 1.00 0.00 H new ATOM 0 HA LYS A 38 4.333 -13.031 10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.140 -13.124 12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.121 -13.594 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.933 -11.562 9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.551 -11.033 11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.736 -10.489 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.385 -11.870 10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.095 -10.116 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.596 -10.568 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.732 -8.186 8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.452 -8.826 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.904 -8.388 10.577 1.00 0.00 H new ATOM 539 N THR A 39 6.241 -15.645 9.432 1.00 0.00 N ATOM 540 CA THR A 39 6.673 -16.555 8.385 1.00 0.00 C ATOM 541 C THR A 39 5.471 -17.287 7.785 1.00 0.00 C ATOM 542 O THR A 39 5.296 -17.306 6.567 1.00 0.00 O ATOM 543 CB THR A 39 7.723 -17.496 8.979 1.00 0.00 C ATOM 544 OG1 THR A 39 8.702 -16.620 9.530 1.00 0.00 O ATOM 545 CG2 THR A 39 8.483 -18.277 7.906 1.00 0.00 C ATOM 0 H THR A 39 6.671 -15.808 10.342 1.00 0.00 H new ATOM 0 HA THR A 39 7.132 -16.015 7.557 1.00 0.00 H new ATOM 0 HB THR A 39 7.239 -18.195 9.662 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.420 -17.147 9.938 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.216 -18.929 8.381 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.781 -18.879 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.995 -17.580 7.242 1.00 0.00 H new ATOM 553 N CYS A 40 4.674 -17.871 8.667 1.00 0.00 N ATOM 554 CA CYS A 40 3.493 -18.602 8.240 1.00 0.00 C ATOM 555 C CYS A 40 2.789 -17.786 7.154 1.00 0.00 C ATOM 556 O CYS A 40 2.712 -18.214 6.003 1.00 0.00 O ATOM 557 CB CYS A 40 2.563 -18.911 9.415 1.00 0.00 C ATOM 558 SG CYS A 40 1.070 -19.876 8.979 1.00 0.00 S ATOM 0 H CYS A 40 4.823 -17.853 9.676 1.00 0.00 H new ATOM 0 HA CYS A 40 3.789 -19.569 7.832 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.125 -19.460 10.171 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.251 -17.971 9.870 1.00 0.00 H new ATOM 563 N ARG A 41 2.294 -16.626 7.558 1.00 0.00 N ATOM 564 CA ARG A 41 1.600 -15.746 6.634 1.00 0.00 C ATOM 565 C ARG A 41 2.482 -15.447 5.420 1.00 0.00 C ATOM 566 O ARG A 41 2.031 -15.548 4.280 1.00 0.00 O ATOM 567 CB ARG A 41 1.214 -14.429 7.311 1.00 0.00 C ATOM 568 CG ARG A 41 -0.234 -14.471 7.804 1.00 0.00 C ATOM 569 CD ARG A 41 -0.588 -13.196 8.573 1.00 0.00 C ATOM 570 NE ARG A 41 -0.483 -12.020 7.681 1.00 0.00 N ATOM 571 CZ ARG A 41 -0.629 -10.752 8.088 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.887 -10.488 9.376 1.00 0.00 N ATOM 573 NH2 ARG A 41 -0.517 -9.748 7.208 1.00 0.00 N ATOM 0 H ARG A 41 2.360 -16.275 8.513 1.00 0.00 H new ATOM 0 HA ARG A 41 0.692 -16.256 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.883 -14.238 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.339 -13.605 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.908 -14.587 6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.378 -15.340 8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.600 -13.271 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.082 -13.078 9.425 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.287 -12.185 6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.972 -11.252 10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.998 -9.523 9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.320 -9.949 6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.628 -8.783 7.519 1.00 0.00 H new ATOM 587 N ARG A 42 3.725 -15.086 5.706 1.00 0.00 N ATOM 588 CA ARG A 42 4.674 -14.773 4.652 1.00 0.00 C ATOM 589 C ARG A 42 4.615 -15.833 3.551 1.00 0.00 C ATOM 590 O ARG A 42 4.492 -15.503 2.373 1.00 0.00 O ATOM 591 CB ARG A 42 6.101 -14.696 5.201 1.00 0.00 C ATOM 592 CG ARG A 42 6.749 -13.353 4.858 1.00 0.00 C ATOM 593 CD ARG A 42 6.357 -12.280 5.875 1.00 0.00 C ATOM 594 NE ARG A 42 6.435 -10.940 5.251 1.00 0.00 N ATOM 595 CZ ARG A 42 7.577 -10.265 5.061 1.00 0.00 C ATOM 596 NH1 ARG A 42 8.744 -10.802 5.444 1.00 0.00 N ATOM 597 NH2 ARG A 42 7.553 -9.055 4.487 1.00 0.00 N ATOM 0 H ARG A 42 4.096 -15.004 6.653 1.00 0.00 H new ATOM 0 HA ARG A 42 4.402 -13.801 4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.086 -14.831 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.698 -15.508 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.833 -13.463 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.443 -13.042 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.346 -12.463 6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.019 -12.327 6.739 1.00 0.00 H new ATOM 0 HE ARG A 42 5.565 -10.503 4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.763 -11.724 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.613 -10.289 5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.665 -8.647 4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.423 -8.542 4.343 1.00 0.00 H new ATOM 611 N ASN A 43 4.705 -17.085 3.975 1.00 0.00 N ATOM 612 CA ASN A 43 4.663 -18.197 3.039 1.00 0.00 C ATOM 613 C ASN A 43 3.315 -18.198 2.315 1.00 0.00 C ATOM 614 O ASN A 43 3.261 -18.356 1.097 1.00 0.00 O ATOM 615 CB ASN A 43 4.811 -19.535 3.766 1.00 0.00 C ATOM 616 CG ASN A 43 5.548 -20.554 2.895 1.00 0.00 C ATOM 617 OD1 ASN A 43 5.292 -20.698 1.711 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.476 -21.250 3.546 1.00 0.00 N ATOM 0 H ASN A 43 4.807 -17.354 4.953 1.00 0.00 H new ATOM 0 HA ASN A 43 5.486 -18.077 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.355 -19.388 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.826 -19.921 4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.024 -21.955 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.639 -21.079 4.538 1.00 0.00 H new ATOM 625 N CYS A 44 2.260 -18.020 3.096 1.00 0.00 N ATOM 626 CA CYS A 44 0.916 -17.998 2.545 1.00 0.00 C ATOM 627 C CYS A 44 0.826 -16.844 1.544 1.00 0.00 C ATOM 628 O CYS A 44 0.092 -16.927 0.560 1.00 0.00 O ATOM 629 CB CYS A 44 -0.144 -17.885 3.643 1.00 0.00 C ATOM 630 SG CYS A 44 -1.860 -18.192 3.087 1.00 0.00 S ATOM 0 H CYS A 44 2.309 -17.890 4.106 1.00 0.00 H new ATOM 0 HA CYS A 44 0.715 -18.939 2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.098 -18.592 4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.091 -16.887 4.078 1.00 0.00 H new ATOM 635 N LYS A 45 1.582 -15.795 1.830 1.00 0.00 N ATOM 636 CA LYS A 45 1.597 -14.626 0.967 1.00 0.00 C ATOM 637 C LYS A 45 2.182 -15.009 -0.394 1.00 0.00 C ATOM 638 O LYS A 45 1.875 -14.379 -1.405 1.00 0.00 O ATOM 639 CB LYS A 45 2.330 -13.467 1.646 1.00 0.00 C ATOM 640 CG LYS A 45 1.442 -12.223 1.717 1.00 0.00 C ATOM 641 CD LYS A 45 1.463 -11.613 3.120 1.00 0.00 C ATOM 642 CE LYS A 45 2.344 -10.362 3.161 1.00 0.00 C ATOM 643 NZ LYS A 45 2.630 -9.976 4.561 1.00 0.00 N ATOM 0 H LYS A 45 2.189 -15.730 2.647 1.00 0.00 H new ATOM 0 HA LYS A 45 0.582 -14.271 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.631 -13.761 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.242 -13.236 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.784 -11.486 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.419 -12.486 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.448 -11.358 3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.835 -12.348 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.278 -10.550 2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.845 -9.541 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.229 -9.126 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.737 -9.777 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.126 -10.754 5.041 1.00 0.00 H new ATOM 657 N LYS A 46 3.013 -16.041 -0.376 1.00 0.00 N ATOM 658 CA LYS A 46 3.643 -16.515 -1.596 1.00 0.00 C ATOM 659 C LYS A 46 2.740 -17.557 -2.260 1.00 0.00 C ATOM 660 O LYS A 46 2.844 -17.799 -3.461 1.00 0.00 O ATOM 661 CB LYS A 46 5.057 -17.023 -1.307 1.00 0.00 C ATOM 662 CG LYS A 46 5.773 -17.418 -2.600 1.00 0.00 C ATOM 663 CD LYS A 46 6.425 -16.201 -3.259 1.00 0.00 C ATOM 664 CE LYS A 46 7.905 -16.100 -2.882 1.00 0.00 C ATOM 665 NZ LYS A 46 8.741 -16.816 -3.871 1.00 0.00 N ATOM 0 H LYS A 46 3.264 -16.562 0.464 1.00 0.00 H new ATOM 0 HA LYS A 46 3.762 -15.696 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.627 -16.249 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.009 -17.881 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.532 -18.170 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.062 -17.872 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.326 -16.273 -4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.905 -15.294 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.204 -15.053 -2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.063 -16.522 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.742 -16.738 -3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.467 -17.819 -3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.603 -16.395 -4.812 1.00 0.00 H new ATOM 679 N ALA A 47 1.873 -18.145 -1.448 1.00 0.00 N ATOM 680 CA ALA A 47 0.952 -19.154 -1.942 1.00 0.00 C ATOM 681 C ALA A 47 0.293 -18.652 -3.228 1.00 0.00 C ATOM 682 O ALA A 47 0.440 -19.265 -4.285 1.00 0.00 O ATOM 683 CB ALA A 47 -0.071 -19.487 -0.854 1.00 0.00 C ATOM 0 H ALA A 47 1.789 -17.942 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 47 1.484 -20.074 -2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.762 -20.244 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.446 -19.867 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.626 -18.587 -0.589 1.00 0.00 H new ATOM 689 N ASP A 48 -0.419 -17.543 -3.096 1.00 0.00 N ATOM 690 CA ASP A 48 -1.101 -16.952 -4.235 1.00 0.00 C ATOM 691 C ASP A 48 -1.515 -15.520 -3.889 1.00 0.00 C ATOM 692 O ASP A 48 -2.621 -15.094 -4.217 1.00 0.00 O ATOM 693 CB ASP A 48 -2.366 -17.738 -4.588 1.00 0.00 C ATOM 694 CG ASP A 48 -2.144 -18.942 -5.504 1.00 0.00 C ATOM 695 OD1 ASP A 48 -2.179 -18.733 -6.736 1.00 0.00 O ATOM 696 OD2 ASP A 48 -1.945 -20.046 -4.952 1.00 0.00 O ATOM 0 H ASP A 48 -0.539 -17.038 -2.218 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.417 -16.969 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.830 -18.084 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.074 -17.062 -5.067 1.00 0.00 H new ATOM 701 N CYS A 49 -0.605 -14.818 -3.232 1.00 0.00 N ATOM 702 CA CYS A 49 -0.861 -13.443 -2.838 1.00 0.00 C ATOM 703 C CYS A 49 0.392 -12.616 -3.134 1.00 0.00 C ATOM 704 O CYS A 49 0.638 -11.601 -2.485 1.00 0.00 O ATOM 705 CB CYS A 49 -1.276 -13.343 -1.368 1.00 0.00 C ATOM 706 SG CYS A 49 -2.158 -14.809 -0.719 1.00 0.00 S ATOM 0 H CYS A 49 0.311 -15.175 -2.962 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.699 -13.049 -3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.384 -13.176 -0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.914 -12.468 -1.244 1.00 0.00 H new ATOM 711 N GLU A 50 1.151 -13.083 -4.115 1.00 0.00 N ATOM 712 CA GLU A 50 2.373 -12.400 -4.505 1.00 0.00 C ATOM 713 C GLU A 50 2.046 -11.177 -5.364 1.00 0.00 C ATOM 714 O GLU A 50 2.538 -10.080 -5.103 1.00 0.00 O ATOM 715 CB GLU A 50 3.321 -13.349 -5.240 1.00 0.00 C ATOM 716 CG GLU A 50 4.454 -13.812 -4.322 1.00 0.00 C ATOM 717 CD GLU A 50 5.796 -13.228 -4.770 1.00 0.00 C ATOM 718 OE1 GLU A 50 6.324 -13.732 -5.784 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.263 -12.290 -4.087 1.00 0.00 O ATOM 0 H GLU A 50 0.943 -13.926 -4.651 1.00 0.00 H new ATOM 0 HA GLU A 50 2.880 -12.060 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.766 -14.214 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.738 -12.848 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.244 -13.506 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.508 -14.901 -4.325 1.00 0.00 H new ATOM 726 N PRO A 51 1.195 -11.412 -6.399 1.00 0.00 N ATOM 727 CA PRO A 51 0.797 -10.343 -7.298 1.00 0.00 C ATOM 728 C PRO A 51 -0.219 -9.414 -6.630 1.00 0.00 C ATOM 729 O PRO A 51 -0.276 -8.225 -6.941 1.00 0.00 O ATOM 730 CB PRO A 51 0.239 -11.048 -8.524 1.00 0.00 C ATOM 731 CG PRO A 51 -0.083 -12.465 -8.080 1.00 0.00 C ATOM 732 CD PRO A 51 0.592 -12.698 -6.738 1.00 0.00 C ATOM 0 HA PRO A 51 1.628 -9.693 -7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.653 -10.542 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.964 -11.049 -9.338 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.161 -12.602 -7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.272 -13.186 -8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.128 -13.010 -5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.345 -13.483 -6.804 1.00 0.00 H new ATOM 740 N GLN A 52 -0.994 -9.991 -5.724 1.00 0.00 N ATOM 741 CA GLN A 52 -2.004 -9.230 -5.008 1.00 0.00 C ATOM 742 C GLN A 52 -1.341 -8.249 -4.039 1.00 0.00 C ATOM 743 O GLN A 52 -1.639 -7.055 -4.058 1.00 0.00 O ATOM 744 CB GLN A 52 -2.972 -10.158 -4.273 1.00 0.00 C ATOM 745 CG GLN A 52 -3.479 -11.266 -5.198 1.00 0.00 C ATOM 746 CD GLN A 52 -4.523 -12.135 -4.493 1.00 0.00 C ATOM 747 OE1 GLN A 52 -4.865 -11.926 -3.340 1.00 0.00 O ATOM 748 NE2 GLN A 52 -5.007 -13.117 -5.246 1.00 0.00 N ATOM 0 H GLN A 52 -0.943 -10.977 -5.469 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.583 -8.658 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.473 -10.600 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.816 -9.582 -3.893 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.914 -10.825 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.643 -11.886 -5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.677 -13.235 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.709 -13.752 -4.866 1.00 0.00 H new ATOM 757 N ASP A 53 -0.455 -8.788 -3.215 1.00 0.00 N ATOM 758 CA ASP A 53 0.252 -7.975 -2.240 1.00 0.00 C ATOM 759 C ASP A 53 0.954 -6.821 -2.958 1.00 0.00 C ATOM 760 O ASP A 53 1.184 -5.767 -2.368 1.00 0.00 O ATOM 761 CB ASP A 53 1.316 -8.795 -1.508 1.00 0.00 C ATOM 762 CG ASP A 53 1.817 -8.182 -0.199 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.065 -8.275 0.796 1.00 0.00 O ATOM 764 OD2 ASP A 53 2.941 -7.635 -0.221 1.00 0.00 O ATOM 0 H ASP A 53 -0.210 -9.778 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.476 -7.603 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.909 -9.784 -1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.167 -8.936 -2.175 1.00 0.00 H new ATOM 769 N LYS A 54 1.276 -7.061 -4.221 1.00 0.00 N ATOM 770 CA LYS A 54 1.948 -6.054 -5.025 1.00 0.00 C ATOM 771 C LYS A 54 0.945 -4.968 -5.417 1.00 0.00 C ATOM 772 O LYS A 54 1.084 -3.815 -5.013 1.00 0.00 O ATOM 773 CB LYS A 54 2.649 -6.704 -6.220 1.00 0.00 C ATOM 774 CG LYS A 54 3.967 -7.355 -5.794 1.00 0.00 C ATOM 775 CD LYS A 54 4.826 -7.701 -7.012 1.00 0.00 C ATOM 776 CE LYS A 54 6.202 -7.038 -6.918 1.00 0.00 C ATOM 777 NZ LYS A 54 7.243 -7.923 -7.485 1.00 0.00 N ATOM 0 H LYS A 54 1.084 -7.937 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 54 2.735 -5.568 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.996 -7.454 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.841 -5.953 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.515 -6.679 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.762 -8.259 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.943 -8.782 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.322 -7.374 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.192 -6.089 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.434 -6.814 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.171 -7.458 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.263 -8.819 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.028 -8.115 -8.484 1.00 0.00 H new ATOM 791 N VAL A 55 -0.044 -5.375 -6.200 1.00 0.00 N ATOM 792 CA VAL A 55 -1.070 -4.450 -6.652 1.00 0.00 C ATOM 793 C VAL A 55 -1.448 -3.514 -5.502 1.00 0.00 C ATOM 794 O VAL A 55 -1.794 -2.356 -5.729 1.00 0.00 O ATOM 795 CB VAL A 55 -2.265 -5.227 -7.209 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.413 -4.281 -7.569 1.00 0.00 C ATOM 797 CG2 VAL A 55 -1.855 -6.075 -8.414 1.00 0.00 C ATOM 0 H VAL A 55 -0.156 -6.333 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.695 -3.830 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.618 -5.902 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.250 -4.858 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.732 -3.740 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.076 -3.570 -8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.723 -6.617 -8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.464 -5.427 -9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.086 -6.786 -8.113 1.00 0.00 H new ATOM 807 N CYS A 56 -1.369 -4.051 -4.293 1.00 0.00 N ATOM 808 CA CYS A 56 -1.699 -3.278 -3.108 1.00 0.00 C ATOM 809 C CYS A 56 -0.642 -2.186 -2.938 1.00 0.00 C ATOM 810 O CYS A 56 -0.967 -1.000 -2.919 1.00 0.00 O ATOM 811 CB CYS A 56 -1.808 -4.166 -1.866 1.00 0.00 C ATOM 812 SG CYS A 56 -2.657 -3.391 -0.442 1.00 0.00 S ATOM 0 H CYS A 56 -1.081 -5.012 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.679 -2.817 -3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.339 -5.079 -2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.805 -4.460 -1.557 1.00 0.00 H new ATOM 817 N ASP A 57 0.603 -2.625 -2.817 1.00 0.00 N ATOM 818 CA ASP A 57 1.710 -1.699 -2.649 1.00 0.00 C ATOM 819 C ASP A 57 1.529 -0.515 -3.601 1.00 0.00 C ATOM 820 O ASP A 57 1.509 0.636 -3.169 1.00 0.00 O ATOM 821 CB ASP A 57 3.044 -2.371 -2.977 1.00 0.00 C ATOM 822 CG ASP A 57 4.286 -1.559 -2.604 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.102 -0.382 -2.225 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.392 -2.134 -2.705 1.00 0.00 O ATOM 0 H ASP A 57 0.869 -3.610 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 57 1.719 -1.369 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.087 -3.330 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.074 -2.582 -4.046 1.00 0.00 H new ATOM 829 N ALA A 58 1.402 -0.840 -4.879 1.00 0.00 N ATOM 830 CA ALA A 58 1.223 0.182 -5.897 1.00 0.00 C ATOM 831 C ALA A 58 0.262 1.252 -5.375 1.00 0.00 C ATOM 832 O ALA A 58 0.599 2.435 -5.352 1.00 0.00 O ATOM 833 CB ALA A 58 0.727 -0.466 -7.191 1.00 0.00 C ATOM 0 H ALA A 58 1.419 -1.796 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 58 2.171 0.671 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.593 0.301 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.459 -1.197 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.225 -0.965 -7.007 1.00 0.00 H new ATOM 839 N CYS A 59 -0.915 0.799 -4.970 1.00 0.00 N ATOM 840 CA CYS A 59 -1.926 1.703 -4.450 1.00 0.00 C ATOM 841 C CYS A 59 -1.268 2.616 -3.413 1.00 0.00 C ATOM 842 O CYS A 59 -1.387 3.838 -3.492 1.00 0.00 O ATOM 843 CB CYS A 59 -3.118 0.942 -3.865 1.00 0.00 C ATOM 844 SG CYS A 59 -4.502 1.999 -3.303 1.00 0.00 S ATOM 0 H CYS A 59 -1.191 -0.183 -4.992 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.328 2.308 -5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.492 0.247 -4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.771 0.344 -3.023 1.00 0.00 H new ATOM 849 N ARG A 60 -0.588 1.988 -2.465 1.00 0.00 N ATOM 850 CA ARG A 60 0.089 2.728 -1.414 1.00 0.00 C ATOM 851 C ARG A 60 1.164 3.637 -2.014 1.00 0.00 C ATOM 852 O ARG A 60 1.379 4.750 -1.536 1.00 0.00 O ATOM 853 CB ARG A 60 0.738 1.781 -0.403 1.00 0.00 C ATOM 854 CG ARG A 60 -0.323 0.979 0.355 1.00 0.00 C ATOM 855 CD ARG A 60 0.190 0.559 1.734 1.00 0.00 C ATOM 856 NE ARG A 60 -0.727 -0.436 2.333 1.00 0.00 N ATOM 857 CZ ARG A 60 -0.395 -1.252 3.343 1.00 0.00 C ATOM 858 NH1 ARG A 60 0.834 -1.195 3.873 1.00 0.00 N ATOM 859 NH2 ARG A 60 -1.292 -2.123 3.823 1.00 0.00 N ATOM 0 H ARG A 60 -0.491 0.974 -2.403 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.658 3.332 -0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.414 1.100 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.340 2.353 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.227 1.578 0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.596 0.094 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.191 0.137 1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.268 1.431 2.383 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.671 -0.505 1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.517 -0.531 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.087 -1.816 4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.228 -2.165 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.039 -2.744 4.592 1.00 0.00 H new ATOM 873 N MET A 61 1.812 3.129 -3.052 1.00 0.00 N ATOM 874 CA MET A 61 2.860 3.880 -3.722 1.00 0.00 C ATOM 875 C MET A 61 2.281 5.088 -4.461 1.00 0.00 C ATOM 876 O MET A 61 2.853 6.177 -4.423 1.00 0.00 O ATOM 877 CB MET A 61 3.584 2.972 -4.717 1.00 0.00 C ATOM 878 CG MET A 61 4.343 3.795 -5.759 1.00 0.00 C ATOM 879 SD MET A 61 5.960 3.090 -6.034 1.00 0.00 S ATOM 880 CE MET A 61 5.505 1.402 -6.392 1.00 0.00 C ATOM 0 H MET A 61 1.631 2.206 -3.446 1.00 0.00 H new ATOM 0 HA MET A 61 3.561 4.239 -2.969 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.279 2.324 -4.184 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.863 2.324 -5.215 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.783 3.818 -6.694 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.440 4.826 -5.420 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.255 0.953 -7.044 1.00 0.00 H new ATOM 0 HE2 MET A 61 5.447 0.836 -5.462 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.535 1.384 -6.889 1.00 0.00 H new ATOM 890 N LYS A 62 1.153 4.856 -5.117 1.00 0.00 N ATOM 891 CA LYS A 62 0.490 5.911 -5.864 1.00 0.00 C ATOM 892 C LYS A 62 -0.126 6.913 -4.885 1.00 0.00 C ATOM 893 O LYS A 62 -0.032 8.123 -5.088 1.00 0.00 O ATOM 894 CB LYS A 62 -0.517 5.318 -6.851 1.00 0.00 C ATOM 895 CG LYS A 62 0.103 5.168 -8.242 1.00 0.00 C ATOM 896 CD LYS A 62 1.160 4.062 -8.255 1.00 0.00 C ATOM 897 CE LYS A 62 0.507 2.679 -8.286 1.00 0.00 C ATOM 898 NZ LYS A 62 0.389 2.193 -9.679 1.00 0.00 N ATOM 0 H LYS A 62 0.681 3.952 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 62 1.211 6.459 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.854 4.345 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.397 5.959 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.677 4.939 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.555 6.112 -8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.806 4.182 -9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.793 4.149 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.099 1.977 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.480 2.726 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.189 1.329 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.062 2.924 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.336 1.984 -10.055 1.00 0.00 H new ATOM 912 N CYS A 63 -0.742 6.373 -3.844 1.00 0.00 N ATOM 913 CA CYS A 63 -1.373 7.204 -2.833 1.00 0.00 C ATOM 914 C CYS A 63 -0.344 8.223 -2.338 1.00 0.00 C ATOM 915 O CYS A 63 -0.562 9.429 -2.436 1.00 0.00 O ATOM 916 CB CYS A 63 -1.944 6.367 -1.688 1.00 0.00 C ATOM 917 SG CYS A 63 -3.771 6.252 -1.657 1.00 0.00 S ATOM 0 H CYS A 63 -0.818 5.369 -3.679 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.223 7.730 -3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.532 5.360 -1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.605 6.791 -0.743 1.00 0.00 H new ATOM 922 N HIS A 64 0.755 7.699 -1.816 1.00 0.00 N ATOM 923 CA HIS A 64 1.819 8.547 -1.305 1.00 0.00 C ATOM 924 C HIS A 64 2.010 9.747 -2.235 1.00 0.00 C ATOM 925 O HIS A 64 1.743 10.884 -1.850 1.00 0.00 O ATOM 926 CB HIS A 64 3.104 7.743 -1.101 1.00 0.00 C ATOM 927 CG HIS A 64 4.021 8.309 -0.043 1.00 0.00 C ATOM 928 ND1 HIS A 64 3.765 8.714 1.234 1.00 0.00 N flip ATOM 929 CD2 HIS A 64 5.374 8.509 -0.253 1.00 0.00 C flip ATOM 930 CE1 HIS A 64 4.901 9.138 1.775 1.00 0.00 C flip ATOM 931 NE2 HIS A 64 5.899 9.013 0.855 1.00 0.00 N flip ATOM 0 H HIS A 64 0.932 6.698 -1.736 1.00 0.00 H new ATOM 0 HA HIS A 64 1.542 8.933 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.841 6.720 -0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.644 7.694 -2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.911 8.292 -1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.015 9.519 2.779 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.878 9.263 0.995 1.00 0.00 H new ATOM 939 N LYS A 65 2.471 9.452 -3.441 1.00 0.00 N ATOM 940 CA LYS A 65 2.702 10.492 -4.429 1.00 0.00 C ATOM 941 C LYS A 65 1.433 11.334 -4.582 1.00 0.00 C ATOM 942 O LYS A 65 1.508 12.540 -4.810 1.00 0.00 O ATOM 943 CB LYS A 65 3.198 9.883 -5.742 1.00 0.00 C ATOM 944 CG LYS A 65 4.658 10.259 -6.004 1.00 0.00 C ATOM 945 CD LYS A 65 5.567 9.033 -5.896 1.00 0.00 C ATOM 946 CE LYS A 65 6.254 8.978 -4.530 1.00 0.00 C ATOM 947 NZ LYS A 65 7.709 8.761 -4.690 1.00 0.00 N ATOM 0 H LYS A 65 2.691 8.507 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 65 3.493 11.164 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.099 8.798 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.576 10.231 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.751 10.699 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.976 11.017 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.981 8.127 -6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.319 9.063 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.076 9.908 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.824 8.174 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.160 8.726 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.873 7.862 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.118 9.542 -5.242 1.00 0.00 H new ATOM 961 N ALA A 66 0.298 10.664 -4.450 1.00 0.00 N ATOM 962 CA ALA A 66 -0.985 11.336 -4.571 1.00 0.00 C ATOM 963 C ALA A 66 -1.128 12.360 -3.443 1.00 0.00 C ATOM 964 O ALA A 66 -1.431 13.526 -3.693 1.00 0.00 O ATOM 965 CB ALA A 66 -2.109 10.297 -4.561 1.00 0.00 C ATOM 0 H ALA A 66 0.240 9.663 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.048 11.875 -5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.071 10.801 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.978 9.611 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.079 9.738 -3.626 1.00 0.00 H new ATOM 971 N CYS A 67 -0.904 11.887 -2.226 1.00 0.00 N ATOM 972 CA CYS A 67 -1.004 12.747 -1.059 1.00 0.00 C ATOM 973 C CYS A 67 -0.105 13.965 -1.281 1.00 0.00 C ATOM 974 O CYS A 67 -0.492 15.091 -0.971 1.00 0.00 O ATOM 975 CB CYS A 67 -0.644 12.000 0.227 1.00 0.00 C ATOM 976 SG CYS A 67 0.003 13.057 1.574 1.00 0.00 S ATOM 0 H CYS A 67 -0.654 10.919 -2.023 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.036 13.076 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.531 11.478 0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.100 11.239 -0.008 1.00 0.00 H new ATOM 981 N ARG A 68 1.077 13.699 -1.818 1.00 0.00 N ATOM 982 CA ARG A 68 2.033 14.760 -2.085 1.00 0.00 C ATOM 983 C ARG A 68 1.410 15.818 -2.998 1.00 0.00 C ATOM 984 O ARG A 68 1.506 17.013 -2.725 1.00 0.00 O ATOM 985 CB ARG A 68 3.298 14.207 -2.745 1.00 0.00 C ATOM 986 CG ARG A 68 4.159 15.338 -3.311 1.00 0.00 C ATOM 987 CD ARG A 68 4.033 15.414 -4.834 1.00 0.00 C ATOM 988 NE ARG A 68 5.112 14.626 -5.471 1.00 0.00 N ATOM 989 CZ ARG A 68 5.202 14.404 -6.790 1.00 0.00 C ATOM 990 NH1 ARG A 68 4.278 14.909 -7.619 1.00 0.00 N ATOM 991 NH2 ARG A 68 6.216 13.677 -7.279 1.00 0.00 N ATOM 0 H ARG A 68 1.394 12.764 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 68 2.303 15.212 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.874 13.637 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.024 13.518 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.855 16.287 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.202 15.178 -3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.061 15.033 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.089 16.452 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 68 5.832 14.227 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.506 15.462 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.346 14.740 -8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.919 13.293 -6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.285 13.508 -8.283 1.00 0.00 H new ATOM 1005 N ALA A 69 0.786 15.340 -4.065 1.00 0.00 N ATOM 1006 CA ALA A 69 0.147 16.230 -5.020 1.00 0.00 C ATOM 1007 C ALA A 69 -1.230 16.636 -4.490 1.00 0.00 C ATOM 1008 O ALA A 69 -1.979 17.335 -5.171 1.00 0.00 O ATOM 1009 CB ALA A 69 0.068 15.543 -6.384 1.00 0.00 C ATOM 0 H ALA A 69 0.709 14.348 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 69 0.732 17.141 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.411 16.210 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.074 15.302 -6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.515 14.626 -6.296 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.522 16.179 -3.281 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.796 16.486 -2.653 1.00 0.00 C ATOM 1017 C ALA A 70 -2.596 17.597 -1.620 1.00 0.00 C ATOM 1018 O ALA A 70 -3.230 18.647 -1.702 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.380 15.214 -2.036 1.00 0.00 C ATOM 0 H ALA A 70 -0.898 15.599 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.511 16.848 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.336 15.444 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.530 14.467 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.691 14.823 -1.287 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.711 17.326 -0.671 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.419 18.290 0.376 1.00 0.00 C ATOM 1027 C ASN A 71 -0.165 19.082 0.001 1.00 0.00 C ATOM 1028 O ASN A 71 -0.206 20.308 -0.092 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.154 17.589 1.710 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.460 17.327 2.462 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -3.031 18.203 3.091 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -2.900 16.076 2.361 1.00 0.00 N ATOM 0 H ASN A 71 -1.187 16.453 -0.606 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.282 18.948 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.637 16.646 1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.495 18.204 2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.765 15.800 2.826 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.373 15.392 1.818 1.00 0.00 H new ATOM 1039 N CYS A 72 0.919 18.349 -0.206 1.00 0.00 N ATOM 1040 CA CYS A 72 2.182 18.968 -0.569 1.00 0.00 C ATOM 1041 C CYS A 72 2.083 19.447 -2.019 1.00 0.00 C ATOM 1042 O CYS A 72 2.842 19.000 -2.878 1.00 0.00 O ATOM 1043 CB CYS A 72 3.360 18.013 -0.363 1.00 0.00 C ATOM 1044 SG CYS A 72 3.388 17.168 1.260 1.00 0.00 S ATOM 0 H CYS A 72 0.949 17.332 -0.129 1.00 0.00 H new ATOM 0 HA CYS A 72 2.372 19.821 0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.340 17.258 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.288 18.572 -0.482 1.00 0.00 H new ATOM 1049 N ALA A 73 1.141 20.351 -2.247 1.00 0.00 N ATOM 1050 CA ALA A 73 0.933 20.895 -3.577 1.00 0.00 C ATOM 1051 C ALA A 73 1.873 22.083 -3.791 1.00 0.00 C ATOM 1052 O ALA A 73 2.501 22.201 -4.841 1.00 0.00 O ATOM 1053 CB ALA A 73 -0.539 21.279 -3.748 1.00 0.00 C ATOM 0 H ALA A 73 0.514 20.720 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 73 1.166 20.149 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.695 21.687 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.163 20.395 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.808 22.028 -3.004 1.00 0.00 H new ATOM 1059 N SER A 74 1.940 22.934 -2.777 1.00 0.00 N ATOM 1060 CA SER A 74 2.793 24.108 -2.840 1.00 0.00 C ATOM 1061 C SER A 74 4.264 23.690 -2.788 1.00 0.00 C ATOM 1062 O SER A 74 5.035 24.007 -3.693 1.00 0.00 O ATOM 1063 CB SER A 74 2.477 25.080 -1.701 1.00 0.00 C ATOM 1064 OG SER A 74 1.364 25.916 -2.006 1.00 0.00 O ATOM 0 H SER A 74 1.417 22.833 -1.907 1.00 0.00 H new ATOM 0 HA SER A 74 2.601 24.620 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.269 24.517 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.351 25.699 -1.500 1.00 0.00 H new ATOM 0 HG SER A 74 1.193 26.521 -1.254 1.00 0.00 H new ATOM 1070 N GLU A 75 4.608 22.986 -1.720 1.00 0.00 N ATOM 1071 CA GLU A 75 5.973 22.521 -1.539 1.00 0.00 C ATOM 1072 C GLU A 75 6.569 22.088 -2.880 1.00 0.00 C ATOM 1073 O GLU A 75 7.383 22.803 -3.461 1.00 0.00 O ATOM 1074 CB GLU A 75 6.034 21.383 -0.519 1.00 0.00 C ATOM 1075 CG GLU A 75 6.016 21.926 0.911 1.00 0.00 C ATOM 1076 CD GLU A 75 4.609 22.378 1.309 1.00 0.00 C ATOM 1077 OE1 GLU A 75 3.649 21.761 0.797 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.524 23.329 2.115 1.00 0.00 O ATOM 0 H GLU A 75 3.966 22.726 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 75 6.568 23.347 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.188 20.711 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.939 20.796 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.363 21.156 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.708 22.764 0.994 1.00 0.00 H new ATOM 1085 N CYS A 76 6.140 20.919 -3.332 1.00 0.00 N ATOM 1086 CA CYS A 76 6.621 20.382 -4.594 1.00 0.00 C ATOM 1087 C CYS A 76 6.273 21.377 -5.703 1.00 0.00 C ATOM 1088 O CYS A 76 5.104 21.549 -6.043 1.00 0.00 O ATOM 1089 CB CYS A 76 6.045 18.992 -4.873 1.00 0.00 C ATOM 1090 SG CYS A 76 7.049 17.603 -4.231 1.00 0.00 S ATOM 0 H CYS A 76 5.464 20.328 -2.847 1.00 0.00 H new ATOM 0 HA CYS A 76 7.702 20.253 -4.549 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.048 18.933 -4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.930 18.871 -5.950 1.00 0.00 H new ATOM 1095 N PRO A 77 7.338 22.022 -6.250 1.00 0.00 N ATOM 1096 CA PRO A 77 7.157 22.995 -7.314 1.00 0.00 C ATOM 1097 C PRO A 77 6.849 22.303 -8.643 1.00 0.00 C ATOM 1098 O PRO A 77 5.694 22.242 -9.062 1.00 0.00 O ATOM 1099 CB PRO A 77 8.452 23.790 -7.344 1.00 0.00 C ATOM 1100 CG PRO A 77 9.481 22.939 -6.618 1.00 0.00 C ATOM 1101 CD PRO A 77 8.737 21.844 -5.872 1.00 0.00 C ATOM 0 HA PRO A 77 6.305 23.653 -7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.764 23.990 -8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.329 24.756 -6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.187 22.506 -7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.059 23.549 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.101 20.856 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.871 21.938 -4.794 1.00 0.00 H new ATOM 1109 N LYS A 78 7.902 21.800 -9.270 1.00 0.00 N ATOM 1110 CA LYS A 78 7.759 21.115 -10.543 1.00 0.00 C ATOM 1111 C LYS A 78 9.024 20.303 -10.826 1.00 0.00 C ATOM 1112 O LYS A 78 10.120 20.696 -10.430 1.00 0.00 O ATOM 1113 CB LYS A 78 7.407 22.111 -11.651 1.00 0.00 C ATOM 1114 CG LYS A 78 6.583 21.439 -12.751 1.00 0.00 C ATOM 1115 CD LYS A 78 7.025 21.916 -14.136 1.00 0.00 C ATOM 1116 CE LYS A 78 7.272 20.731 -15.071 1.00 0.00 C ATOM 1117 NZ LYS A 78 6.017 20.332 -15.746 1.00 0.00 N ATOM 0 H LYS A 78 8.858 21.853 -8.920 1.00 0.00 H new ATOM 0 HA LYS A 78 6.929 20.409 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.846 22.945 -11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.321 22.524 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.693 20.357 -12.683 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.526 21.662 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.261 22.566 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.935 22.509 -14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.023 20.998 -15.815 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.670 19.890 -14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.203 19.526 -16.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.311 20.058 -15.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.653 21.131 -16.303 1.00 0.00 H new ATOM 1131 N HIS A 79 8.830 19.184 -11.508 1.00 0.00 N ATOM 1132 CA HIS A 79 9.942 18.312 -11.848 1.00 0.00 C ATOM 1133 C HIS A 79 10.863 18.158 -10.636 1.00 0.00 C ATOM 1134 O HIS A 79 11.885 18.836 -10.538 1.00 0.00 O ATOM 1135 CB HIS A 79 10.676 18.826 -13.088 1.00 0.00 C ATOM 1136 CG HIS A 79 10.660 17.866 -14.253 1.00 0.00 C ATOM 1137 ND1 HIS A 79 10.502 18.280 -15.564 1.00 0.00 N ATOM 1138 CD2 HIS A 79 10.785 16.508 -14.291 1.00 0.00 C ATOM 1139 CE1 HIS A 79 10.531 17.211 -16.347 1.00 0.00 C ATOM 1140 NE2 HIS A 79 10.706 16.114 -15.556 1.00 0.00 N ATOM 0 H HIS A 79 7.919 18.861 -11.835 1.00 0.00 H new ATOM 0 HA HIS A 79 9.566 17.321 -12.104 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.225 19.768 -13.400 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.711 19.041 -12.822 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.925 15.863 -13.436 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.433 17.209 -17.423 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.766 15.150 -15.883 1.00 0.00 H new ATOM 1148 N GLU A 80 10.467 17.263 -9.743 1.00 0.00 N ATOM 1149 CA GLU A 80 11.244 17.012 -8.541 1.00 0.00 C ATOM 1150 C GLU A 80 10.644 15.844 -7.755 1.00 0.00 C ATOM 1151 O GLU A 80 9.878 16.051 -6.816 1.00 0.00 O ATOM 1152 CB GLU A 80 11.333 18.268 -7.672 1.00 0.00 C ATOM 1153 CG GLU A 80 12.789 18.694 -7.470 1.00 0.00 C ATOM 1154 CD GLU A 80 12.918 20.218 -7.459 1.00 0.00 C ATOM 1155 OE1 GLU A 80 12.900 20.798 -8.567 1.00 0.00 O ATOM 1156 OE2 GLU A 80 13.031 20.770 -6.343 1.00 0.00 O ATOM 0 H GLU A 80 9.619 16.703 -9.828 1.00 0.00 H new ATOM 0 HA GLU A 80 12.258 16.743 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.775 19.079 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.868 18.079 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.164 18.287 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.407 18.279 -8.266 1.00 0.00 H new ATOM 1163 N HIS A 81 11.015 14.641 -8.170 1.00 0.00 N ATOM 1164 CA HIS A 81 10.523 13.440 -7.517 1.00 0.00 C ATOM 1165 C HIS A 81 10.542 13.636 -5.999 1.00 0.00 C ATOM 1166 O HIS A 81 9.529 13.437 -5.332 1.00 0.00 O ATOM 1167 CB HIS A 81 11.319 12.213 -7.966 1.00 0.00 C ATOM 1168 CG HIS A 81 11.611 12.178 -9.447 1.00 0.00 C ATOM 1169 ND1 HIS A 81 12.591 12.784 -10.176 1.00 0.00 N flip ATOM 1170 CD2 HIS A 81 10.844 11.457 -10.346 1.00 0.00 C flip ATOM 1171 CE1 HIS A 81 12.433 12.449 -11.451 1.00 0.00 C flip ATOM 1172 NE2 HIS A 81 11.350 11.627 -11.558 1.00 0.00 N flip ATOM 0 H HIS A 81 11.650 14.473 -8.950 1.00 0.00 H new ATOM 0 HA HIS A 81 9.489 13.259 -7.812 1.00 0.00 H new ATOM 0 HB2 HIS A 81 12.262 12.184 -7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 81 10.766 11.314 -7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.980 10.858 -10.101 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.059 12.774 -12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.993 11.215 -12.420 1.00 0.00 H new ATOM 1180 N LYS A 82 11.706 14.024 -5.500 1.00 0.00 N ATOM 1181 CA LYS A 82 11.871 14.249 -4.074 1.00 0.00 C ATOM 1182 C LYS A 82 12.503 15.624 -3.848 1.00 0.00 C ATOM 1183 O LYS A 82 13.579 15.910 -4.372 1.00 0.00 O ATOM 1184 CB LYS A 82 12.655 13.100 -3.437 1.00 0.00 C ATOM 1185 CG LYS A 82 11.974 11.756 -3.706 1.00 0.00 C ATOM 1186 CD LYS A 82 12.832 10.596 -3.198 1.00 0.00 C ATOM 1187 CE LYS A 82 13.314 9.722 -4.358 1.00 0.00 C ATOM 1188 NZ LYS A 82 14.670 9.197 -4.082 1.00 0.00 N ATOM 0 H LYS A 82 12.544 14.188 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 82 10.902 14.258 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.670 13.083 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.736 13.262 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.000 11.734 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.797 11.641 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.690 10.986 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.255 9.992 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.621 8.894 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.323 10.303 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.982 8.606 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.331 9.990 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.651 8.625 -3.214 1.00 0.00 H new ATOM 1202 N SER A 83 11.807 16.439 -3.069 1.00 0.00 N ATOM 1203 CA SER A 83 12.287 17.777 -2.768 1.00 0.00 C ATOM 1204 C SER A 83 12.523 17.923 -1.263 1.00 0.00 C ATOM 1205 O SER A 83 11.787 17.353 -0.458 1.00 0.00 O ATOM 1206 CB SER A 83 11.299 18.839 -3.256 1.00 0.00 C ATOM 1207 OG SER A 83 11.048 19.831 -2.263 1.00 0.00 O ATOM 0 H SER A 83 10.915 16.199 -2.637 1.00 0.00 H new ATOM 0 HA SER A 83 13.230 17.928 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.693 19.316 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.361 18.360 -3.535 1.00 0.00 H new ATOM 0 HG SER A 83 11.849 20.383 -2.143 1.00 0.00 H new ATOM 1213 N ASP A 84 13.551 18.688 -0.929 1.00 0.00 N ATOM 1214 CA ASP A 84 13.893 18.916 0.465 1.00 0.00 C ATOM 1215 C ASP A 84 12.632 19.311 1.236 1.00 0.00 C ATOM 1216 O ASP A 84 12.199 18.592 2.136 1.00 0.00 O ATOM 1217 CB ASP A 84 14.908 20.051 0.605 1.00 0.00 C ATOM 1218 CG ASP A 84 15.656 20.089 1.939 1.00 0.00 C ATOM 1219 OD1 ASP A 84 15.336 19.235 2.794 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.530 20.972 2.075 1.00 0.00 O ATOM 0 H ASP A 84 14.159 19.158 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 84 14.324 17.997 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.637 19.968 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.390 21.000 0.469 1.00 0.00 H new ATOM 1225 N THR A 85 12.078 20.454 0.857 1.00 0.00 N ATOM 1226 CA THR A 85 10.876 20.953 1.502 1.00 0.00 C ATOM 1227 C THR A 85 9.743 19.933 1.381 1.00 0.00 C ATOM 1228 O THR A 85 9.111 19.581 2.376 1.00 0.00 O ATOM 1229 CB THR A 85 10.539 22.312 0.885 1.00 0.00 C ATOM 1230 OG1 THR A 85 9.568 22.864 1.770 1.00 0.00 O ATOM 1231 CG2 THR A 85 9.797 22.182 -0.448 1.00 0.00 C ATOM 0 H THR A 85 12.440 21.048 0.111 1.00 0.00 H new ATOM 0 HA THR A 85 11.030 21.094 2.572 1.00 0.00 H new ATOM 0 HB THR A 85 11.457 22.881 0.736 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.295 23.747 1.446 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.582 23.175 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.418 21.636 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.862 21.643 -0.293 1.00 0.00 H new ATOM 1239 N CYS A 86 9.520 19.486 0.154 1.00 0.00 N ATOM 1240 CA CYS A 86 8.473 18.513 -0.110 1.00 0.00 C ATOM 1241 C CYS A 86 8.623 17.364 0.889 1.00 0.00 C ATOM 1242 O CYS A 86 7.755 17.156 1.736 1.00 0.00 O ATOM 1243 CB CYS A 86 8.512 18.019 -1.558 1.00 0.00 C ATOM 1244 SG CYS A 86 6.887 17.539 -2.248 1.00 0.00 S ATOM 0 H CYS A 86 10.047 19.780 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 86 7.497 18.981 0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.939 18.803 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.184 17.162 -1.617 1.00 0.00 H new ATOM 1249 N ARG A 87 9.730 16.648 0.758 1.00 0.00 N ATOM 1250 CA ARG A 87 10.005 15.526 1.639 1.00 0.00 C ATOM 1251 C ARG A 87 9.561 15.851 3.066 1.00 0.00 C ATOM 1252 O ARG A 87 8.865 15.059 3.699 1.00 0.00 O ATOM 1253 CB ARG A 87 11.495 15.179 1.641 1.00 0.00 C ATOM 1254 CG ARG A 87 11.891 14.455 0.353 1.00 0.00 C ATOM 1255 CD ARG A 87 13.086 13.530 0.589 1.00 0.00 C ATOM 1256 NE ARG A 87 12.614 12.161 0.896 1.00 0.00 N ATOM 1257 CZ ARG A 87 13.409 11.168 1.314 1.00 0.00 C ATOM 1258 NH1 ARG A 87 14.722 11.384 1.478 1.00 0.00 N ATOM 1259 NH2 ARG A 87 12.893 9.957 1.569 1.00 0.00 N ATOM 0 H ARG A 87 10.447 16.823 0.054 1.00 0.00 H new ATOM 0 HA ARG A 87 9.445 14.668 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.084 16.090 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.724 14.550 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.045 13.875 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.138 15.185 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.724 13.514 -0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.692 13.908 1.413 1.00 0.00 H new ATOM 0 HE ARG A 87 11.620 11.961 0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.115 12.305 1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.327 10.627 1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.894 9.792 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.499 9.201 1.887 1.00 0.00 H new ATOM 1273 N ALA A 88 9.984 17.017 3.532 1.00 0.00 N ATOM 1274 CA ALA A 88 9.639 17.457 4.873 1.00 0.00 C ATOM 1275 C ALA A 88 8.121 17.395 5.051 1.00 0.00 C ATOM 1276 O ALA A 88 7.630 16.847 6.037 1.00 0.00 O ATOM 1277 CB ALA A 88 10.197 18.862 5.110 1.00 0.00 C ATOM 0 H ALA A 88 10.563 17.671 3.004 1.00 0.00 H new ATOM 0 HA ALA A 88 10.086 16.799 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.938 19.191 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.281 18.846 5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.770 19.551 4.381 1.00 0.00 H new ATOM 1283 N CYS A 89 7.420 17.964 4.082 1.00 0.00 N ATOM 1284 CA CYS A 89 5.967 17.980 4.119 1.00 0.00 C ATOM 1285 C CYS A 89 5.470 16.533 4.091 1.00 0.00 C ATOM 1286 O CYS A 89 4.733 16.109 4.980 1.00 0.00 O ATOM 1287 CB CYS A 89 5.381 18.807 2.974 1.00 0.00 C ATOM 1288 SG CYS A 89 3.592 18.555 2.681 1.00 0.00 S ATOM 0 H CYS A 89 7.831 18.418 3.266 1.00 0.00 H new ATOM 0 HA CYS A 89 5.629 18.461 5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.556 19.863 3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.922 18.568 2.058 1.00 0.00 H new ATOM 1293 N MET A 90 5.892 15.816 3.060 1.00 0.00 N ATOM 1294 CA MET A 90 5.499 14.426 2.904 1.00 0.00 C ATOM 1295 C MET A 90 5.803 13.625 4.171 1.00 0.00 C ATOM 1296 O MET A 90 5.166 12.606 4.433 1.00 0.00 O ATOM 1297 CB MET A 90 6.249 13.813 1.720 1.00 0.00 C ATOM 1298 CG MET A 90 5.650 14.279 0.391 1.00 0.00 C ATOM 1299 SD MET A 90 6.197 13.213 -0.932 1.00 0.00 S ATOM 1300 CE MET A 90 5.228 11.756 -0.577 1.00 0.00 C ATOM 0 H MET A 90 6.502 16.172 2.324 1.00 0.00 H new ATOM 0 HA MET A 90 4.425 14.390 2.723 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.301 14.093 1.767 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.206 12.726 1.781 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.562 14.270 0.450 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.950 15.307 0.188 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.500 10.960 -1.270 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.423 11.430 0.445 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.169 11.987 -0.688 1.00 0.00 H new ATOM 1310 N LYS A 91 6.777 14.115 4.924 1.00 0.00 N ATOM 1311 CA LYS A 91 7.173 13.458 6.157 1.00 0.00 C ATOM 1312 C LYS A 91 5.932 13.199 7.014 1.00 0.00 C ATOM 1313 O LYS A 91 5.708 12.077 7.467 1.00 0.00 O ATOM 1314 CB LYS A 91 8.256 14.268 6.873 1.00 0.00 C ATOM 1315 CG LYS A 91 9.113 13.369 7.766 1.00 0.00 C ATOM 1316 CD LYS A 91 10.467 14.019 8.059 1.00 0.00 C ATOM 1317 CE LYS A 91 10.811 13.923 9.546 1.00 0.00 C ATOM 1318 NZ LYS A 91 12.225 14.294 9.777 1.00 0.00 N ATOM 0 H LYS A 91 7.304 14.960 4.703 1.00 0.00 H new ATOM 0 HA LYS A 91 7.622 12.488 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.889 14.766 6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.792 15.049 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.589 13.174 8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.266 12.406 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.244 13.531 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.446 15.065 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.158 14.581 10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.633 12.908 9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.441 14.223 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.844 13.650 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.385 15.270 9.456 1.00 0.00 H new ATOM 1332 N THR A 92 5.157 14.256 7.210 1.00 0.00 N ATOM 1333 CA THR A 92 3.944 14.157 8.005 1.00 0.00 C ATOM 1334 C THR A 92 2.714 14.120 7.096 1.00 0.00 C ATOM 1335 O THR A 92 1.935 13.168 7.138 1.00 0.00 O ATOM 1336 CB THR A 92 3.932 15.322 8.996 1.00 0.00 C ATOM 1337 OG1 THR A 92 4.873 14.937 9.995 1.00 0.00 O ATOM 1338 CG2 THR A 92 2.608 15.432 9.754 1.00 0.00 C ATOM 0 H THR A 92 5.345 15.185 6.832 1.00 0.00 H new ATOM 0 HA THR A 92 3.918 13.228 8.574 1.00 0.00 H new ATOM 0 HB THR A 92 4.124 16.254 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.930 15.637 10.678 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.653 16.275 10.444 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.795 15.586 9.045 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.432 14.514 10.314 1.00 0.00 H new ATOM 1346 N ASN A 93 2.576 15.167 6.297 1.00 0.00 N ATOM 1347 CA ASN A 93 1.453 15.266 5.380 1.00 0.00 C ATOM 1348 C ASN A 93 1.185 13.894 4.758 1.00 0.00 C ATOM 1349 O ASN A 93 0.041 13.447 4.700 1.00 0.00 O ATOM 1350 CB ASN A 93 1.753 16.248 4.246 1.00 0.00 C ATOM 1351 CG ASN A 93 1.474 17.688 4.680 1.00 0.00 C ATOM 1352 OD1 ASN A 93 0.435 18.261 4.393 1.00 0.00 O ATOM 1353 ND2 ASN A 93 2.457 18.241 5.385 1.00 0.00 N ATOM 0 H ASN A 93 3.223 15.955 6.265 1.00 0.00 H new ATOM 0 HA ASN A 93 0.588 15.618 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 93 2.795 16.151 3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.144 16.002 3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.367 19.200 5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.301 17.706 5.590 1.00 0.00 H new ATOM 1360 N CYS A 94 2.260 13.263 4.310 1.00 0.00 N ATOM 1361 CA CYS A 94 2.156 11.950 3.695 1.00 0.00 C ATOM 1362 C CYS A 94 2.793 10.927 4.636 1.00 0.00 C ATOM 1363 O CYS A 94 3.915 10.479 4.405 1.00 0.00 O ATOM 1364 CB CYS A 94 2.796 11.924 2.305 1.00 0.00 C ATOM 1365 SG CYS A 94 2.045 13.071 1.092 1.00 0.00 S ATOM 0 H CYS A 94 3.208 13.636 4.360 1.00 0.00 H new ATOM 0 HA CYS A 94 1.106 11.698 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.855 12.164 2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.734 10.910 1.911 1.00 0.00 H new ATOM 1370 N LYS A 95 2.050 10.585 5.678 1.00 0.00 N ATOM 1371 CA LYS A 95 2.528 9.622 6.656 1.00 0.00 C ATOM 1372 C LYS A 95 3.979 9.946 7.016 1.00 0.00 C ATOM 1373 O LYS A 95 4.452 9.579 8.090 1.00 0.00 O ATOM 1374 CB LYS A 95 2.325 8.195 6.145 1.00 0.00 C ATOM 1375 CG LYS A 95 2.158 7.215 7.308 1.00 0.00 C ATOM 1376 CD LYS A 95 2.465 5.782 6.867 1.00 0.00 C ATOM 1377 CE LYS A 95 3.325 5.061 7.906 1.00 0.00 C ATOM 1378 NZ LYS A 95 3.167 3.595 7.783 1.00 0.00 N ATOM 0 H LYS A 95 1.120 10.958 5.867 1.00 0.00 H new ATOM 0 HA LYS A 95 1.948 9.692 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 95 1.445 8.157 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.178 7.899 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.822 7.498 8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.139 7.271 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.533 5.236 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.983 5.796 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.372 5.332 7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.039 5.381 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.758 3.121 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.170 3.339 7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.462 3.293 6.833 1.00 0.00 H new TER 1392 LYS A 95