USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 31 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.69) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 34 CYS SG : rot -107:sc= -2.78! USER MOD Set 2.2: A 37 CYS SG : rot -60:sc= -1.14 USER MOD Set 3.1: A 15 ASN : amide:sc= 1 K(o=1.9,f=-0.27) USER MOD Set 3.2: A 18 THR OG1 : rot -150:sc= 0.86 USER MOD Set 4.1: A 10 HIS : no HD1:sc= -0.12 X(o=0.23,f=-0.26) USER MOD Set 4.2: A 23 THR OG1 : rot 21:sc= 0.347 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.114 (180deg=-0.247) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.12) USER MOD Single : A 20 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-4.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.018) USER MOD Single : A 42 GLN : amide:sc= -2.02! C(o=-2!,f=-6.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -6.88! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.98) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.275) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc=-0.000274 (180deg=-0.0906) USER MOD Single : A 67 ASN : amide:sc= -1.65! K(o=-1.7!,f=-0.064) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.996 K(o=1,f=-0.18) USER MOD Single : A 76 HIS : no HD1:sc= -0.225 X(o=-0.23,f=0.004) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.034) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.604 2.723 8.587 1.00 0.00 N ATOM 2 CA MET A 1 12.559 2.488 7.567 1.00 0.00 C ATOM 3 C MET A 1 12.097 3.799 6.924 1.00 0.00 C ATOM 4 O MET A 1 12.666 4.224 5.917 1.00 0.00 O ATOM 5 CB MET A 1 11.375 1.714 8.172 1.00 0.00 C ATOM 6 CG MET A 1 10.966 2.181 9.564 1.00 0.00 C ATOM 7 SD MET A 1 9.612 1.210 10.256 1.00 0.00 S ATOM 8 CE MET A 1 9.445 1.976 11.869 1.00 0.00 C ATOM 0 H1 MET A 1 13.797 1.837 9.096 1.00 0.00 H new ATOM 0 H2 MET A 1 14.474 3.053 8.123 1.00 0.00 H new ATOM 0 H3 MET A 1 13.276 3.445 9.260 1.00 0.00 H new ATOM 0 HA MET A 1 12.994 1.877 6.776 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.518 1.805 7.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.633 0.656 8.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.827 2.122 10.230 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.670 3.229 9.518 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.644 1.486 12.423 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.381 1.875 12.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.208 3.033 11.747 1.00 0.00 H new ATOM 20 N GLU A 2 11.091 4.445 7.523 1.00 0.00 N ATOM 21 CA GLU A 2 10.491 5.669 6.979 1.00 0.00 C ATOM 22 C GLU A 2 9.905 5.414 5.588 1.00 0.00 C ATOM 23 O GLU A 2 9.750 4.265 5.169 1.00 0.00 O ATOM 24 CB GLU A 2 11.513 6.814 6.916 1.00 0.00 C ATOM 25 CG GLU A 2 12.161 7.140 8.252 1.00 0.00 C ATOM 26 CD GLU A 2 11.154 7.288 9.375 1.00 0.00 C ATOM 27 OE1 GLU A 2 10.341 8.232 9.339 1.00 0.00 O ATOM 28 OE2 GLU A 2 11.176 6.457 10.307 1.00 0.00 O ATOM 0 H GLU A 2 10.669 4.135 8.398 1.00 0.00 H new ATOM 0 HA GLU A 2 9.687 5.966 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.292 6.552 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.018 7.708 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.870 6.353 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.731 8.064 8.158 1.00 0.00 H new ATOM 35 N ILE A 3 9.557 6.488 4.891 1.00 0.00 N ATOM 36 CA ILE A 3 9.050 6.392 3.528 1.00 0.00 C ATOM 37 C ILE A 3 9.794 7.364 2.616 1.00 0.00 C ATOM 38 O ILE A 3 9.873 8.561 2.900 1.00 0.00 O ATOM 39 CB ILE A 3 7.528 6.666 3.449 1.00 0.00 C ATOM 40 CG1 ILE A 3 7.163 7.954 4.199 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.746 5.481 4.000 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.695 8.317 4.111 1.00 0.00 C ATOM 0 H ILE A 3 9.617 7.441 5.250 1.00 0.00 H new ATOM 0 HA ILE A 3 9.222 5.369 3.194 1.00 0.00 H new ATOM 0 HB ILE A 3 7.259 6.800 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.438 7.843 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.756 8.777 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.678 5.689 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.977 4.590 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.023 5.315 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.514 9.238 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.418 8.461 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.095 7.513 4.538 1.00 0.00 H new ATOM 54 N THR A 4 10.355 6.839 1.538 1.00 0.00 N ATOM 55 CA THR A 4 11.123 7.644 0.600 1.00 0.00 C ATOM 56 C THR A 4 10.742 7.316 -0.839 1.00 0.00 C ATOM 57 O THR A 4 10.148 6.270 -1.108 1.00 0.00 O ATOM 58 CB THR A 4 12.640 7.421 0.785 1.00 0.00 C ATOM 59 OG1 THR A 4 12.906 6.035 1.045 1.00 0.00 O ATOM 60 CG2 THR A 4 13.192 8.270 1.921 1.00 0.00 C ATOM 0 H THR A 4 10.292 5.852 1.290 1.00 0.00 H new ATOM 0 HA THR A 4 10.889 8.689 0.806 1.00 0.00 H new ATOM 0 HB THR A 4 13.136 7.722 -0.138 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.870 5.903 1.159 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.262 8.089 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.022 9.324 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.688 8.006 2.851 1.00 0.00 H new ATOM 68 N CYS A 5 11.066 8.222 -1.755 1.00 0.00 N ATOM 69 CA CYS A 5 10.838 7.989 -3.171 1.00 0.00 C ATOM 70 C CYS A 5 11.752 6.872 -3.671 1.00 0.00 C ATOM 71 O CYS A 5 12.976 7.011 -3.643 1.00 0.00 O ATOM 72 CB CYS A 5 11.121 9.256 -3.980 1.00 0.00 C ATOM 73 SG CYS A 5 10.167 10.725 -3.514 1.00 0.00 S ATOM 0 H CYS A 5 11.488 9.125 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 5 9.794 7.703 -3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 5 12.181 9.492 -3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.931 9.042 -5.032 1.00 0.00 H new ATOM 78 N PRO A 6 11.179 5.763 -4.151 1.00 0.00 N ATOM 79 CA PRO A 6 11.962 4.618 -4.633 1.00 0.00 C ATOM 80 C PRO A 6 12.746 4.937 -5.907 1.00 0.00 C ATOM 81 O PRO A 6 13.786 4.336 -6.179 1.00 0.00 O ATOM 82 CB PRO A 6 10.899 3.551 -4.912 1.00 0.00 C ATOM 83 CG PRO A 6 9.637 4.313 -5.133 1.00 0.00 C ATOM 84 CD PRO A 6 9.727 5.523 -4.250 1.00 0.00 C ATOM 0 HA PRO A 6 12.716 4.310 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.158 2.955 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.802 2.861 -4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.532 4.600 -6.179 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.766 3.708 -4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.207 6.377 -4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.282 5.341 -3.272 1.00 0.00 H new ATOM 92 N VAL A 7 12.246 5.898 -6.675 1.00 0.00 N ATOM 93 CA VAL A 7 12.852 6.250 -7.954 1.00 0.00 C ATOM 94 C VAL A 7 13.476 7.652 -7.927 1.00 0.00 C ATOM 95 O VAL A 7 14.526 7.886 -8.522 1.00 0.00 O ATOM 96 CB VAL A 7 11.810 6.138 -9.099 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.565 6.958 -8.794 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.409 6.554 -10.435 1.00 0.00 C ATOM 0 H VAL A 7 11.422 6.448 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 7 13.658 5.540 -8.140 1.00 0.00 H new ATOM 0 HB VAL A 7 11.518 5.090 -9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.854 6.859 -9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.108 6.597 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.840 8.006 -8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.654 6.464 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.748 7.588 -10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.254 5.908 -10.672 1.00 0.00 H new ATOM 108 N CYS A 8 12.842 8.580 -7.222 1.00 0.00 N ATOM 109 CA CYS A 8 13.311 9.966 -7.196 1.00 0.00 C ATOM 110 C CYS A 8 14.164 10.258 -5.962 1.00 0.00 C ATOM 111 O CYS A 8 14.831 11.291 -5.897 1.00 0.00 O ATOM 112 CB CYS A 8 12.111 10.920 -7.236 1.00 0.00 C ATOM 113 SG CYS A 8 10.503 10.096 -7.025 1.00 0.00 S ATOM 0 H CYS A 8 12.007 8.404 -6.663 1.00 0.00 H new ATOM 0 HA CYS A 8 13.938 10.120 -8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.229 11.669 -6.453 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.114 11.451 -8.188 1.00 0.00 H new ATOM 118 N HIS A 9 14.146 9.338 -4.999 1.00 0.00 N ATOM 119 CA HIS A 9 14.761 9.555 -3.684 1.00 0.00 C ATOM 120 C HIS A 9 14.125 10.744 -2.961 1.00 0.00 C ATOM 121 O HIS A 9 13.199 11.370 -3.482 1.00 0.00 O ATOM 122 CB HIS A 9 16.280 9.723 -3.781 1.00 0.00 C ATOM 123 CG HIS A 9 17.021 8.426 -3.665 1.00 0.00 C ATOM 124 ND1 HIS A 9 18.215 8.176 -4.301 1.00 0.00 N ATOM 125 CD2 HIS A 9 16.734 7.311 -2.954 1.00 0.00 C ATOM 126 CE1 HIS A 9 18.630 6.960 -3.988 1.00 0.00 C ATOM 127 NE2 HIS A 9 17.748 6.414 -3.169 1.00 0.00 N ATOM 0 H HIS A 9 13.707 8.423 -5.104 1.00 0.00 H new ATOM 0 HA HIS A 9 14.570 8.659 -3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.528 10.193 -4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.616 10.399 -2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 9 15.865 7.156 -2.331 1.00 0.00 H new ATOM 0 HE1 HIS A 9 19.537 6.492 -4.342 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.811 5.480 -2.764 1.00 0.00 H new ATOM 136 N HIS A 10 14.637 11.041 -1.763 1.00 0.00 N ATOM 137 CA HIS A 10 14.017 12.006 -0.844 1.00 0.00 C ATOM 138 C HIS A 10 12.770 11.393 -0.214 1.00 0.00 C ATOM 139 O HIS A 10 12.258 10.381 -0.694 1.00 0.00 O ATOM 140 CB HIS A 10 13.686 13.339 -1.533 1.00 0.00 C ATOM 141 CG HIS A 10 14.899 14.102 -1.971 1.00 0.00 C ATOM 142 ND1 HIS A 10 15.293 14.208 -3.292 1.00 0.00 N ATOM 143 CD2 HIS A 10 15.808 14.802 -1.254 1.00 0.00 C ATOM 144 CE1 HIS A 10 16.391 14.936 -3.361 1.00 0.00 C ATOM 145 NE2 HIS A 10 16.722 15.308 -2.142 1.00 0.00 N ATOM 0 H HIS A 10 15.493 10.620 -1.401 1.00 0.00 H new ATOM 0 HA HIS A 10 14.741 12.232 -0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 10 13.056 13.144 -2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.104 13.958 -0.850 1.00 0.00 H new ATOM 0 HD2 HIS A 10 15.813 14.937 -0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.928 15.185 -4.265 1.00 0.00 H new ATOM 0 HE2 HIS A 10 17.530 15.881 -1.897 1.00 0.00 H new ATOM 154 N ALA A 11 12.290 11.992 0.863 1.00 0.00 N ATOM 155 CA ALA A 11 11.205 11.402 1.638 1.00 0.00 C ATOM 156 C ALA A 11 9.839 11.648 1.003 1.00 0.00 C ATOM 157 O ALA A 11 9.697 12.450 0.075 1.00 0.00 O ATOM 158 CB ALA A 11 11.229 11.930 3.063 1.00 0.00 C ATOM 0 H ALA A 11 12.631 12.884 1.222 1.00 0.00 H new ATOM 0 HA ALA A 11 11.364 10.324 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.414 11.482 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.180 11.674 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.110 13.013 3.052 1.00 0.00 H new ATOM 164 N LEU A 12 8.843 10.932 1.509 1.00 0.00 N ATOM 165 CA LEU A 12 7.468 11.077 1.057 1.00 0.00 C ATOM 166 C LEU A 12 6.591 11.589 2.192 1.00 0.00 C ATOM 167 O LEU A 12 6.934 11.442 3.368 1.00 0.00 O ATOM 168 CB LEU A 12 6.922 9.733 0.561 1.00 0.00 C ATOM 169 CG LEU A 12 7.573 9.181 -0.708 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.050 7.787 -1.012 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.310 10.108 -1.880 1.00 0.00 C ATOM 0 H LEU A 12 8.967 10.235 2.244 1.00 0.00 H new ATOM 0 HA LEU A 12 7.453 11.794 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.040 8.998 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.852 9.840 0.382 1.00 0.00 H new ATOM 0 HG LEU A 12 8.649 9.119 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.524 7.410 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.280 7.123 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.970 7.827 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.779 9.703 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.235 10.196 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.726 11.092 -1.666 1.00 0.00 H new ATOM 183 N GLU A 13 5.472 12.197 1.838 1.00 0.00 N ATOM 184 CA GLU A 13 4.491 12.629 2.820 1.00 0.00 C ATOM 185 C GLU A 13 3.289 11.696 2.779 1.00 0.00 C ATOM 186 O GLU A 13 2.770 11.393 1.701 1.00 0.00 O ATOM 187 CB GLU A 13 4.043 14.065 2.542 1.00 0.00 C ATOM 188 CG GLU A 13 3.080 14.617 3.583 1.00 0.00 C ATOM 189 CD GLU A 13 2.550 15.990 3.225 1.00 0.00 C ATOM 190 OE1 GLU A 13 3.340 16.958 3.229 1.00 0.00 O ATOM 191 OE2 GLU A 13 1.341 16.109 2.936 1.00 0.00 O ATOM 0 H GLU A 13 5.219 12.404 0.872 1.00 0.00 H new ATOM 0 HA GLU A 13 4.947 12.597 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.922 14.708 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.567 14.105 1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.243 13.928 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.585 14.668 4.547 1.00 0.00 H new ATOM 198 N ARG A 14 2.853 11.227 3.940 1.00 0.00 N ATOM 199 CA ARG A 14 1.694 10.353 4.005 1.00 0.00 C ATOM 200 C ARG A 14 0.416 11.179 3.958 1.00 0.00 C ATOM 201 O ARG A 14 0.011 11.781 4.953 1.00 0.00 O ATOM 202 CB ARG A 14 1.723 9.481 5.268 1.00 0.00 C ATOM 203 CG ARG A 14 0.525 8.547 5.386 1.00 0.00 C ATOM 204 CD ARG A 14 0.624 7.641 6.605 1.00 0.00 C ATOM 205 NE ARG A 14 -0.563 6.795 6.755 1.00 0.00 N ATOM 206 CZ ARG A 14 -0.562 5.581 7.311 1.00 0.00 C ATOM 207 NH1 ARG A 14 0.556 5.065 7.811 1.00 0.00 N ATOM 208 NH2 ARG A 14 -1.692 4.889 7.383 1.00 0.00 N ATOM 0 H ARG A 14 3.281 11.436 4.842 1.00 0.00 H new ATOM 0 HA ARG A 14 1.720 9.688 3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.638 8.888 5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.759 10.127 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.390 9.137 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.452 7.937 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.510 7.012 6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.752 8.250 7.500 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.452 7.159 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.425 5.597 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.545 4.137 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.557 5.285 7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.696 3.961 7.807 1.00 0.00 H new ATOM 222 N ASN A 15 -0.195 11.224 2.784 1.00 0.00 N ATOM 223 CA ASN A 15 -1.469 11.907 2.601 1.00 0.00 C ATOM 224 C ASN A 15 -2.569 11.108 3.287 1.00 0.00 C ATOM 225 O ASN A 15 -3.560 11.657 3.767 1.00 0.00 O ATOM 226 CB ASN A 15 -1.767 12.057 1.103 1.00 0.00 C ATOM 227 CG ASN A 15 -3.071 12.780 0.817 1.00 0.00 C ATOM 228 OD1 ASN A 15 -3.491 13.661 1.564 1.00 0.00 O ATOM 229 ND2 ASN A 15 -3.727 12.401 -0.270 1.00 0.00 N ATOM 0 H ASN A 15 0.174 10.792 1.937 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.422 12.901 3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.948 12.599 0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.801 11.068 0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.613 12.845 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.346 11.666 -0.865 1.00 0.00 H new ATOM 236 N GLY A 16 -2.358 9.801 3.342 1.00 0.00 N ATOM 237 CA GLY A 16 -3.307 8.905 3.962 1.00 0.00 C ATOM 238 C GLY A 16 -3.404 7.611 3.194 1.00 0.00 C ATOM 239 O GLY A 16 -2.856 6.589 3.608 1.00 0.00 O ATOM 0 H GLY A 16 -1.531 9.341 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.004 8.701 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.287 9.381 4.007 1.00 0.00 H new ATOM 243 N ASP A 17 -4.078 7.670 2.058 1.00 0.00 N ATOM 244 CA ASP A 17 -4.188 6.530 1.157 1.00 0.00 C ATOM 245 C ASP A 17 -3.136 6.636 0.060 1.00 0.00 C ATOM 246 O ASP A 17 -2.915 5.704 -0.714 1.00 0.00 O ATOM 247 CB ASP A 17 -5.586 6.486 0.530 1.00 0.00 C ATOM 248 CG ASP A 17 -5.860 7.685 -0.360 1.00 0.00 C ATOM 249 OD1 ASP A 17 -5.974 8.814 0.169 1.00 0.00 O ATOM 250 OD2 ASP A 17 -5.953 7.508 -1.591 1.00 0.00 O ATOM 0 H ASP A 17 -4.564 8.506 1.733 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.025 5.614 1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.690 5.572 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.335 6.446 1.321 1.00 0.00 H new ATOM 255 N THR A 18 -2.481 7.785 0.007 1.00 0.00 N ATOM 256 CA THR A 18 -1.492 8.062 -1.018 1.00 0.00 C ATOM 257 C THR A 18 -0.215 8.640 -0.416 1.00 0.00 C ATOM 258 O THR A 18 -0.231 9.209 0.682 1.00 0.00 O ATOM 259 CB THR A 18 -2.062 9.041 -2.064 1.00 0.00 C ATOM 260 OG1 THR A 18 -2.981 9.944 -1.430 1.00 0.00 O ATOM 261 CG2 THR A 18 -2.767 8.298 -3.187 1.00 0.00 C ATOM 0 H THR A 18 -2.620 8.547 0.670 1.00 0.00 H new ATOM 0 HA THR A 18 -1.246 7.117 -1.503 1.00 0.00 H new ATOM 0 HB THR A 18 -1.232 9.601 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.667 10.218 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.158 9.015 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.060 7.633 -3.683 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.589 7.712 -2.776 1.00 0.00 H new ATOM 269 N ALA A 19 0.894 8.471 -1.124 1.00 0.00 N ATOM 270 CA ALA A 19 2.170 9.033 -0.708 1.00 0.00 C ATOM 271 C ALA A 19 2.585 10.146 -1.659 1.00 0.00 C ATOM 272 O ALA A 19 2.669 9.939 -2.870 1.00 0.00 O ATOM 273 CB ALA A 19 3.238 7.948 -0.659 1.00 0.00 C ATOM 0 H ALA A 19 0.934 7.944 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 19 2.060 9.451 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.186 8.385 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.941 7.177 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.352 7.504 -1.648 1.00 0.00 H new ATOM 279 N HIS A 20 2.840 11.321 -1.110 1.00 0.00 N ATOM 280 CA HIS A 20 3.140 12.489 -1.921 1.00 0.00 C ATOM 281 C HIS A 20 4.645 12.751 -1.974 1.00 0.00 C ATOM 282 O HIS A 20 5.324 12.738 -0.949 1.00 0.00 O ATOM 283 CB HIS A 20 2.403 13.713 -1.367 1.00 0.00 C ATOM 284 CG HIS A 20 2.588 14.956 -2.181 1.00 0.00 C ATOM 285 ND1 HIS A 20 1.964 15.159 -3.393 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.331 16.060 -1.953 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.320 16.337 -3.873 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.149 16.905 -3.017 1.00 0.00 N ATOM 0 H HIS A 20 2.845 11.492 -0.104 1.00 0.00 H new ATOM 0 HA HIS A 20 2.798 12.298 -2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.339 13.486 -1.306 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.748 13.902 -0.350 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.954 16.244 -1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.989 16.764 -4.808 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.583 17.821 -3.129 1.00 0.00 H new ATOM 297 N CYS A 21 5.153 12.979 -3.180 1.00 0.00 N ATOM 298 CA CYS A 21 6.563 13.290 -3.378 1.00 0.00 C ATOM 299 C CYS A 21 6.865 14.755 -3.054 1.00 0.00 C ATOM 300 O CYS A 21 6.098 15.643 -3.411 1.00 0.00 O ATOM 301 CB CYS A 21 6.955 13.013 -4.828 1.00 0.00 C ATOM 302 SG CYS A 21 7.102 11.264 -5.271 1.00 0.00 S ATOM 0 H CYS A 21 4.605 12.954 -4.040 1.00 0.00 H new ATOM 0 HA CYS A 21 7.140 12.658 -2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.215 13.475 -5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.908 13.503 -5.029 1.00 0.00 H new ATOM 307 N GLU A 22 7.990 14.994 -2.381 1.00 0.00 N ATOM 308 CA GLU A 22 8.429 16.359 -2.083 1.00 0.00 C ATOM 309 C GLU A 22 9.047 17.023 -3.314 1.00 0.00 C ATOM 310 O GLU A 22 8.563 18.044 -3.796 1.00 0.00 O ATOM 311 CB GLU A 22 9.475 16.366 -0.968 1.00 0.00 C ATOM 312 CG GLU A 22 9.050 15.686 0.318 1.00 0.00 C ATOM 313 CD GLU A 22 10.100 15.831 1.399 1.00 0.00 C ATOM 314 OE1 GLU A 22 11.291 15.585 1.116 1.00 0.00 O ATOM 315 OE2 GLU A 22 9.745 16.211 2.536 1.00 0.00 O ATOM 0 H GLU A 22 8.612 14.265 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 22 7.544 16.913 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.379 15.880 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.738 17.400 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.110 16.115 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.867 14.629 0.128 1.00 0.00 H new ATOM 322 N THR A 23 10.113 16.418 -3.819 1.00 0.00 N ATOM 323 CA THR A 23 10.933 17.024 -4.864 1.00 0.00 C ATOM 324 C THR A 23 10.381 16.755 -6.255 1.00 0.00 C ATOM 325 O THR A 23 11.063 16.980 -7.256 1.00 0.00 O ATOM 326 CB THR A 23 12.358 16.455 -4.794 1.00 0.00 C ATOM 327 OG1 THR A 23 12.299 15.022 -4.762 1.00 0.00 O ATOM 328 CG2 THR A 23 13.088 16.955 -3.564 1.00 0.00 C ATOM 0 H THR A 23 10.434 15.498 -3.519 1.00 0.00 H new ATOM 0 HA THR A 23 10.930 18.100 -4.692 1.00 0.00 H new ATOM 0 HB THR A 23 12.903 16.789 -5.677 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.438 14.722 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.094 16.535 -3.542 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.149 18.043 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.547 16.647 -2.669 1.00 0.00 H new ATOM 336 N CYS A 24 9.148 16.290 -6.325 1.00 0.00 N ATOM 337 CA CYS A 24 8.605 15.804 -7.576 1.00 0.00 C ATOM 338 C CYS A 24 7.084 15.760 -7.543 1.00 0.00 C ATOM 339 O CYS A 24 6.489 15.473 -6.505 1.00 0.00 O ATOM 340 CB CYS A 24 9.179 14.413 -7.852 1.00 0.00 C ATOM 341 SG CYS A 24 9.671 13.502 -6.356 1.00 0.00 S ATOM 0 H CYS A 24 8.507 16.239 -5.533 1.00 0.00 H new ATOM 0 HA CYS A 24 8.888 16.488 -8.376 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.437 13.827 -8.394 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.046 14.512 -8.505 1.00 0.00 H new ATOM 346 N ALA A 25 6.464 16.034 -8.681 1.00 0.00 N ATOM 347 CA ALA A 25 5.014 15.995 -8.791 1.00 0.00 C ATOM 348 C ALA A 25 4.542 14.578 -9.090 1.00 0.00 C ATOM 349 O ALA A 25 4.177 14.249 -10.223 1.00 0.00 O ATOM 350 CB ALA A 25 4.524 16.964 -9.859 1.00 0.00 C ATOM 0 H ALA A 25 6.945 16.287 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 25 4.590 16.305 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.437 16.916 -9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.828 17.978 -9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.956 16.692 -10.822 1.00 0.00 H new ATOM 356 N LYS A 26 4.599 13.734 -8.070 1.00 0.00 N ATOM 357 CA LYS A 26 4.167 12.349 -8.180 1.00 0.00 C ATOM 358 C LYS A 26 3.496 11.907 -6.888 1.00 0.00 C ATOM 359 O LYS A 26 4.053 12.071 -5.799 1.00 0.00 O ATOM 360 CB LYS A 26 5.350 11.418 -8.492 1.00 0.00 C ATOM 361 CG LYS A 26 5.920 11.587 -9.893 1.00 0.00 C ATOM 362 CD LYS A 26 7.056 10.610 -10.167 1.00 0.00 C ATOM 363 CE LYS A 26 7.566 10.747 -11.594 1.00 0.00 C ATOM 364 NZ LYS A 26 8.670 9.795 -11.895 1.00 0.00 N ATOM 0 H LYS A 26 4.945 13.989 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 26 3.454 12.285 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.142 11.598 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.029 10.384 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.128 11.438 -10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.282 12.608 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.872 10.791 -9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.711 9.590 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.744 10.577 -12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.915 11.767 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.984 9.927 -12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.467 9.973 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.332 8.820 -11.767 1.00 0.00 H new ATOM 378 N ASP A 27 2.293 11.376 -7.011 1.00 0.00 N ATOM 379 CA ASP A 27 1.586 10.807 -5.874 1.00 0.00 C ATOM 380 C ASP A 27 1.397 9.315 -6.091 1.00 0.00 C ATOM 381 O ASP A 27 0.874 8.884 -7.121 1.00 0.00 O ATOM 382 CB ASP A 27 0.230 11.490 -5.665 1.00 0.00 C ATOM 383 CG ASP A 27 0.351 12.851 -5.004 1.00 0.00 C ATOM 384 OD1 ASP A 27 0.534 13.858 -5.717 1.00 0.00 O ATOM 385 OD2 ASP A 27 0.256 12.926 -3.765 1.00 0.00 O ATOM 0 H ASP A 27 1.781 11.326 -7.892 1.00 0.00 H new ATOM 0 HA ASP A 27 2.182 10.972 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.267 11.602 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.404 10.849 -5.052 1.00 0.00 H new ATOM 390 N PHE A 28 1.842 8.529 -5.128 1.00 0.00 N ATOM 391 CA PHE A 28 1.793 7.081 -5.251 1.00 0.00 C ATOM 392 C PHE A 28 0.618 6.510 -4.471 1.00 0.00 C ATOM 393 O PHE A 28 0.407 6.859 -3.311 1.00 0.00 O ATOM 394 CB PHE A 28 3.095 6.460 -4.743 1.00 0.00 C ATOM 395 CG PHE A 28 4.321 6.968 -5.447 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.511 6.735 -6.799 1.00 0.00 C ATOM 397 CD2 PHE A 28 5.282 7.685 -4.754 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.635 7.209 -7.448 1.00 0.00 C ATOM 399 CE2 PHE A 28 6.407 8.160 -5.395 1.00 0.00 C ATOM 400 CZ PHE A 28 6.584 7.922 -6.744 1.00 0.00 C ATOM 0 H PHE A 28 2.241 8.867 -4.252 1.00 0.00 H new ATOM 0 HA PHE A 28 1.665 6.838 -6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.190 6.660 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.041 5.378 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.771 6.176 -7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.149 7.874 -3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.770 7.022 -8.503 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.149 8.718 -4.843 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.464 8.294 -7.247 1.00 0.00 H new ATOM 410 N SER A 29 -0.146 5.642 -5.115 1.00 0.00 N ATOM 411 CA SER A 29 -1.236 4.954 -4.448 1.00 0.00 C ATOM 412 C SER A 29 -0.673 3.842 -3.572 1.00 0.00 C ATOM 413 O SER A 29 0.074 2.981 -4.051 1.00 0.00 O ATOM 414 CB SER A 29 -2.206 4.376 -5.480 1.00 0.00 C ATOM 415 OG SER A 29 -2.659 5.381 -6.374 1.00 0.00 O ATOM 0 H SER A 29 -0.030 5.398 -6.099 1.00 0.00 H new ATOM 0 HA SER A 29 -1.780 5.662 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.714 3.581 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.059 3.927 -4.971 1.00 0.00 H new ATOM 0 HG SER A 29 -3.276 4.986 -7.025 1.00 0.00 H new ATOM 421 N LEU A 30 -1.018 3.862 -2.295 1.00 0.00 N ATOM 422 CA LEU A 30 -0.498 2.883 -1.358 1.00 0.00 C ATOM 423 C LEU A 30 -1.527 1.794 -1.111 1.00 0.00 C ATOM 424 O LEU A 30 -2.728 2.054 -1.088 1.00 0.00 O ATOM 425 CB LEU A 30 -0.118 3.551 -0.035 1.00 0.00 C ATOM 426 CG LEU A 30 1.004 4.588 -0.126 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.290 5.180 1.244 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.262 3.964 -0.710 1.00 0.00 C ATOM 0 H LEU A 30 -1.655 4.545 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 30 0.396 2.436 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.004 4.034 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.181 2.777 0.671 1.00 0.00 H new ATOM 0 HG LEU A 30 0.680 5.390 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.090 5.916 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.391 5.663 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.594 4.387 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.049 4.716 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.591 3.143 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.050 3.585 -1.710 1.00 0.00 H new ATOM 440 N GLN A 31 -1.051 0.572 -0.955 1.00 0.00 N ATOM 441 CA GLN A 31 -1.929 -0.552 -0.701 1.00 0.00 C ATOM 442 C GLN A 31 -1.377 -1.402 0.439 1.00 0.00 C ATOM 443 O GLN A 31 -0.235 -1.854 0.388 1.00 0.00 O ATOM 444 CB GLN A 31 -2.081 -1.401 -1.968 1.00 0.00 C ATOM 445 CG GLN A 31 -3.072 -2.539 -1.816 1.00 0.00 C ATOM 446 CD GLN A 31 -4.451 -2.050 -1.426 1.00 0.00 C ATOM 447 OE1 GLN A 31 -4.749 -1.896 -0.246 1.00 0.00 O ATOM 448 NE2 GLN A 31 -5.302 -1.808 -2.410 1.00 0.00 N ATOM 0 H GLN A 31 -0.060 0.334 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.910 -0.173 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.399 -0.760 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.108 -1.810 -2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.136 -3.090 -2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.709 -3.236 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.015 -1.949 -3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.245 -1.481 -2.200 1.00 0.00 H new ATOM 457 N ALA A 32 -2.188 -1.595 1.474 1.00 0.00 N ATOM 458 CA ALA A 32 -1.815 -2.468 2.578 1.00 0.00 C ATOM 459 C ALA A 32 -1.957 -3.915 2.137 1.00 0.00 C ATOM 460 O ALA A 32 -3.063 -4.432 2.017 1.00 0.00 O ATOM 461 CB ALA A 32 -2.674 -2.185 3.806 1.00 0.00 C ATOM 0 H ALA A 32 -3.105 -1.159 1.570 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.778 -2.278 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.378 -2.849 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.536 -1.149 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.723 -2.355 3.563 1.00 0.00 H new ATOM 467 N LEU A 33 -0.833 -4.549 1.860 1.00 0.00 N ATOM 468 CA LEU A 33 -0.834 -5.898 1.320 1.00 0.00 C ATOM 469 C LEU A 33 -0.267 -6.878 2.340 1.00 0.00 C ATOM 470 O LEU A 33 0.491 -6.488 3.233 1.00 0.00 O ATOM 471 CB LEU A 33 -0.001 -5.933 0.036 1.00 0.00 C ATOM 472 CG LEU A 33 -0.351 -7.053 -0.939 1.00 0.00 C ATOM 473 CD1 LEU A 33 -1.763 -6.863 -1.470 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.652 -7.089 -2.083 1.00 0.00 C ATOM 0 H LEU A 33 0.096 -4.151 2.000 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.859 -6.191 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.115 -4.978 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.051 -6.026 0.307 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.305 -8.006 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.002 -7.668 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.469 -6.879 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.832 -5.906 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.390 -7.893 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.633 -6.137 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.652 -7.263 -1.685 1.00 0.00 H new ATOM 486 N CYS A 34 -0.634 -8.146 2.211 1.00 0.00 N ATOM 487 CA CYS A 34 -0.133 -9.167 3.111 1.00 0.00 C ATOM 488 C CYS A 34 1.032 -9.901 2.447 1.00 0.00 C ATOM 489 O CYS A 34 1.025 -10.119 1.237 1.00 0.00 O ATOM 490 CB CYS A 34 -1.261 -10.139 3.480 1.00 0.00 C ATOM 491 SG CYS A 34 -0.900 -11.228 4.875 1.00 0.00 S ATOM 0 H CYS A 34 -1.274 -8.488 1.494 1.00 0.00 H new ATOM 0 HA CYS A 34 0.227 -8.704 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.157 -9.562 3.710 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.492 -10.752 2.609 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.687 -12.434 4.440 1.00 0.00 H new ATOM 496 N PRO A 35 2.064 -10.263 3.227 1.00 0.00 N ATOM 497 CA PRO A 35 3.270 -10.923 2.708 1.00 0.00 C ATOM 498 C PRO A 35 2.985 -12.184 1.884 1.00 0.00 C ATOM 499 O PRO A 35 3.722 -12.492 0.945 1.00 0.00 O ATOM 500 CB PRO A 35 4.049 -11.284 3.974 1.00 0.00 C ATOM 501 CG PRO A 35 3.596 -10.295 4.989 1.00 0.00 C ATOM 502 CD PRO A 35 2.150 -10.028 4.680 1.00 0.00 C ATOM 0 HA PRO A 35 3.803 -10.269 2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.836 -12.304 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.125 -11.219 3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.714 -10.688 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.184 -9.379 4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.490 -10.695 5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.865 -9.009 4.940 1.00 0.00 H new ATOM 510 N ASP A 36 1.927 -12.914 2.227 1.00 0.00 N ATOM 511 CA ASP A 36 1.632 -14.172 1.538 1.00 0.00 C ATOM 512 C ASP A 36 0.491 -14.016 0.539 1.00 0.00 C ATOM 513 O ASP A 36 0.484 -14.661 -0.509 1.00 0.00 O ATOM 514 CB ASP A 36 1.290 -15.284 2.539 1.00 0.00 C ATOM 515 CG ASP A 36 -0.105 -15.158 3.120 1.00 0.00 C ATOM 516 OD1 ASP A 36 -0.301 -14.412 4.091 1.00 0.00 O ATOM 517 OD2 ASP A 36 -1.042 -15.820 2.639 1.00 0.00 O ATOM 0 H ASP A 36 1.268 -12.664 2.965 1.00 0.00 H new ATOM 0 HA ASP A 36 2.533 -14.449 0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.384 -16.251 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.017 -15.269 3.351 1.00 0.00 H new ATOM 522 N CYS A 37 -0.467 -13.159 0.854 1.00 0.00 N ATOM 523 CA CYS A 37 -1.643 -13.005 0.015 1.00 0.00 C ATOM 524 C CYS A 37 -1.784 -11.570 -0.465 1.00 0.00 C ATOM 525 O CYS A 37 -1.655 -10.619 0.304 1.00 0.00 O ATOM 526 CB CYS A 37 -2.895 -13.467 0.765 1.00 0.00 C ATOM 527 SG CYS A 37 -3.010 -12.880 2.473 1.00 0.00 S ATOM 0 H CYS A 37 -0.453 -12.562 1.681 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.524 -13.634 -0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.775 -13.129 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.920 -14.557 0.767 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.984 -13.307 3.148 1.00 0.00 H new ATOM 532 N ARG A 38 -2.062 -11.426 -1.747 1.00 0.00 N ATOM 533 CA ARG A 38 -2.066 -10.126 -2.395 1.00 0.00 C ATOM 534 C ARG A 38 -3.467 -9.770 -2.868 1.00 0.00 C ATOM 535 O ARG A 38 -3.647 -8.885 -3.701 1.00 0.00 O ATOM 536 CB ARG A 38 -1.109 -10.159 -3.587 1.00 0.00 C ATOM 537 CG ARG A 38 0.292 -10.606 -3.211 1.00 0.00 C ATOM 538 CD ARG A 38 1.088 -11.035 -4.431 1.00 0.00 C ATOM 539 NE ARG A 38 2.407 -11.546 -4.060 1.00 0.00 N ATOM 540 CZ ARG A 38 2.650 -12.812 -3.712 1.00 0.00 C ATOM 541 NH1 ARG A 38 1.675 -13.714 -3.704 1.00 0.00 N ATOM 542 NH2 ARG A 38 3.873 -13.177 -3.364 1.00 0.00 N ATOM 0 H ARG A 38 -2.291 -12.203 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.742 -9.369 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.507 -10.831 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.060 -9.166 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.811 -9.792 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.233 -11.434 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.538 -11.804 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.202 -10.188 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 38 3.191 -10.894 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.727 -13.443 -3.966 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.874 -14.678 -3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.629 -12.492 -3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.060 -14.144 -3.098 1.00 0.00 H new ATOM 556 N GLN A 39 -4.457 -10.451 -2.312 1.00 0.00 N ATOM 557 CA GLN A 39 -5.831 -10.336 -2.802 1.00 0.00 C ATOM 558 C GLN A 39 -6.868 -10.443 -1.673 1.00 0.00 C ATOM 559 O GLN A 39 -7.692 -9.546 -1.516 1.00 0.00 O ATOM 560 CB GLN A 39 -6.127 -11.407 -3.865 1.00 0.00 C ATOM 561 CG GLN A 39 -5.199 -11.374 -5.069 1.00 0.00 C ATOM 562 CD GLN A 39 -5.571 -12.397 -6.126 1.00 0.00 C ATOM 563 OE1 GLN A 39 -4.707 -12.921 -6.831 1.00 0.00 O ATOM 564 NE2 GLN A 39 -6.860 -12.675 -6.260 1.00 0.00 N ATOM 0 H GLN A 39 -4.340 -11.088 -1.524 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.915 -9.344 -3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.063 -12.390 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.154 -11.284 -4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.220 -10.378 -5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.176 -11.555 -4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.545 -12.220 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.167 -13.344 -6.966 1.00 0.00 H new ATOM 573 N PRO A 40 -6.849 -11.536 -0.867 1.00 0.00 N ATOM 574 CA PRO A 40 -7.911 -11.827 0.116 1.00 0.00 C ATOM 575 C PRO A 40 -7.914 -10.915 1.349 1.00 0.00 C ATOM 576 O PRO A 40 -8.420 -11.304 2.400 1.00 0.00 O ATOM 577 CB PRO A 40 -7.626 -13.276 0.548 1.00 0.00 C ATOM 578 CG PRO A 40 -6.606 -13.789 -0.411 1.00 0.00 C ATOM 579 CD PRO A 40 -5.826 -12.589 -0.848 1.00 0.00 C ATOM 0 HA PRO A 40 -8.889 -11.665 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.255 -13.313 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.533 -13.880 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.958 -14.526 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.079 -14.280 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.017 -12.357 -0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.374 -12.734 -1.829 1.00 0.00 H new ATOM 587 N LEU A 41 -7.375 -9.711 1.230 1.00 0.00 N ATOM 588 CA LEU A 41 -7.440 -8.758 2.330 1.00 0.00 C ATOM 589 C LEU A 41 -8.767 -8.018 2.295 1.00 0.00 C ATOM 590 O LEU A 41 -9.202 -7.552 1.241 1.00 0.00 O ATOM 591 CB LEU A 41 -6.275 -7.760 2.301 1.00 0.00 C ATOM 592 CG LEU A 41 -4.924 -8.312 2.768 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.274 -9.148 1.679 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.004 -7.179 3.206 1.00 0.00 C ATOM 0 H LEU A 41 -6.894 -9.373 0.396 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.359 -9.322 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.164 -7.387 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.535 -6.906 2.926 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.100 -8.960 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.317 -9.528 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.925 -9.985 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.113 -8.532 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.050 -7.591 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.838 -6.501 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.465 -6.633 4.029 1.00 0.00 H new ATOM 606 N GLN A 42 -9.417 -7.932 3.446 1.00 0.00 N ATOM 607 CA GLN A 42 -10.717 -7.292 3.537 1.00 0.00 C ATOM 608 C GLN A 42 -10.559 -5.788 3.689 1.00 0.00 C ATOM 609 O GLN A 42 -9.647 -5.317 4.370 1.00 0.00 O ATOM 610 CB GLN A 42 -11.515 -7.863 4.711 1.00 0.00 C ATOM 611 CG GLN A 42 -11.816 -9.352 4.595 1.00 0.00 C ATOM 612 CD GLN A 42 -12.731 -9.692 3.429 1.00 0.00 C ATOM 613 OE1 GLN A 42 -12.721 -9.031 2.390 1.00 0.00 O ATOM 614 NE2 GLN A 42 -13.544 -10.720 3.601 1.00 0.00 N ATOM 0 H GLN A 42 -9.063 -8.298 4.330 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.264 -7.493 2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.961 -7.686 5.633 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.456 -7.319 4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.879 -9.897 4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.276 -9.696 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.525 -11.245 4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.191 -10.988 2.859 1.00 0.00 H new ATOM 623 N VAL A 43 -11.444 -5.043 3.049 1.00 0.00 N ATOM 624 CA VAL A 43 -11.400 -3.594 3.098 1.00 0.00 C ATOM 625 C VAL A 43 -12.200 -3.086 4.288 1.00 0.00 C ATOM 626 O VAL A 43 -13.426 -2.981 4.226 1.00 0.00 O ATOM 627 CB VAL A 43 -11.961 -2.959 1.805 1.00 0.00 C ATOM 628 CG1 VAL A 43 -11.733 -1.455 1.800 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.341 -3.603 0.574 1.00 0.00 C ATOM 0 H VAL A 43 -12.206 -5.422 2.486 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.354 -3.305 3.198 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.036 -3.140 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.136 -1.029 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.236 -1.008 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.664 -1.249 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.751 -3.140 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.260 -3.461 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.567 -4.669 0.568 1.00 0.00 H new ATOM 639 N LEU A 44 -11.510 -2.793 5.374 1.00 0.00 N ATOM 640 CA LEU A 44 -12.160 -2.279 6.566 1.00 0.00 C ATOM 641 C LEU A 44 -12.238 -0.762 6.480 1.00 0.00 C ATOM 642 O LEU A 44 -11.215 -0.084 6.403 1.00 0.00 O ATOM 643 CB LEU A 44 -11.394 -2.704 7.823 1.00 0.00 C ATOM 644 CG LEU A 44 -11.052 -4.195 7.914 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.414 -4.514 9.256 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.289 -5.052 7.696 1.00 0.00 C ATOM 0 H LEU A 44 -10.499 -2.902 5.456 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.168 -2.690 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.467 -2.133 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.985 -2.430 8.697 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.336 -4.426 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.178 -5.577 9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.499 -3.933 9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.107 -4.261 10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.019 -6.106 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.033 -4.817 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.703 -4.848 6.709 1.00 0.00 H new ATOM 658 N LYS A 45 -13.449 -0.230 6.463 1.00 0.00 N ATOM 659 CA LYS A 45 -13.633 1.203 6.316 1.00 0.00 C ATOM 660 C LYS A 45 -13.897 1.864 7.662 1.00 0.00 C ATOM 661 O LYS A 45 -14.877 1.556 8.340 1.00 0.00 O ATOM 662 CB LYS A 45 -14.784 1.511 5.356 1.00 0.00 C ATOM 663 CG LYS A 45 -14.576 0.965 3.954 1.00 0.00 C ATOM 664 CD LYS A 45 -15.515 1.628 2.960 1.00 0.00 C ATOM 665 CE LYS A 45 -15.324 1.081 1.553 1.00 0.00 C ATOM 666 NZ LYS A 45 -16.052 1.896 0.546 1.00 0.00 N ATOM 0 H LYS A 45 -14.313 -0.765 6.549 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.710 1.609 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.706 1.097 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.918 2.591 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.543 1.129 3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.742 -0.112 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.547 1.471 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.342 2.704 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.262 1.065 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.677 0.050 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.900 1.495 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.069 1.891 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.698 2.874 0.569 1.00 0.00 H new ATOM 680 N ALA A 46 -13.005 2.761 8.046 1.00 0.00 N ATOM 681 CA ALA A 46 -13.190 3.570 9.236 1.00 0.00 C ATOM 682 C ALA A 46 -13.817 4.900 8.846 1.00 0.00 C ATOM 683 O ALA A 46 -13.113 5.892 8.629 1.00 0.00 O ATOM 684 CB ALA A 46 -11.868 3.783 9.961 1.00 0.00 C ATOM 0 H ALA A 46 -12.137 2.948 7.544 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.857 3.048 9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.034 4.392 10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.455 2.818 10.255 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.167 4.291 9.298 1.00 0.00 H new ATOM 690 N CYS A 47 -15.142 4.886 8.716 1.00 0.00 N ATOM 691 CA CYS A 47 -15.919 6.038 8.257 1.00 0.00 C ATOM 692 C CYS A 47 -15.608 6.355 6.790 1.00 0.00 C ATOM 693 O CYS A 47 -16.404 6.045 5.899 1.00 0.00 O ATOM 694 CB CYS A 47 -15.675 7.270 9.143 1.00 0.00 C ATOM 695 SG CYS A 47 -16.698 8.700 8.711 1.00 0.00 S ATOM 0 H CYS A 47 -15.713 4.068 8.928 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.974 5.777 8.336 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -15.864 7.001 10.182 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.625 7.553 9.073 1.00 0.00 H new ATOM 0 HG CYS A 47 -16.425 9.687 9.512 1.00 0.00 H new ATOM 701 N GLY A 48 -14.450 6.952 6.541 1.00 0.00 N ATOM 702 CA GLY A 48 -14.060 7.300 5.187 1.00 0.00 C ATOM 703 C GLY A 48 -12.704 6.733 4.811 1.00 0.00 C ATOM 704 O GLY A 48 -12.366 6.643 3.631 1.00 0.00 O ATOM 0 H GLY A 48 -13.769 7.203 7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.811 6.930 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.038 8.385 5.086 1.00 0.00 H new ATOM 708 N ALA A 49 -11.928 6.345 5.814 1.00 0.00 N ATOM 709 CA ALA A 49 -10.599 5.795 5.578 1.00 0.00 C ATOM 710 C ALA A 49 -10.680 4.289 5.371 1.00 0.00 C ATOM 711 O ALA A 49 -11.526 3.625 5.962 1.00 0.00 O ATOM 712 CB ALA A 49 -9.675 6.126 6.740 1.00 0.00 C ATOM 0 H ALA A 49 -12.195 6.400 6.797 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.190 6.246 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.686 5.709 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.598 7.208 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.078 5.699 7.658 1.00 0.00 H new ATOM 718 N VAL A 50 -9.809 3.754 4.531 1.00 0.00 N ATOM 719 CA VAL A 50 -9.817 2.327 4.243 1.00 0.00 C ATOM 720 C VAL A 50 -8.543 1.659 4.746 1.00 0.00 C ATOM 721 O VAL A 50 -7.449 2.206 4.615 1.00 0.00 O ATOM 722 CB VAL A 50 -9.987 2.048 2.733 1.00 0.00 C ATOM 723 CG1 VAL A 50 -11.380 2.437 2.270 1.00 0.00 C ATOM 724 CG2 VAL A 50 -8.935 2.790 1.923 1.00 0.00 C ATOM 0 H VAL A 50 -9.090 4.283 4.038 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.673 1.904 4.769 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.853 0.978 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.479 2.233 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.121 1.858 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.541 3.500 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.075 2.578 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.033 3.862 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.942 2.463 2.230 1.00 0.00 H new ATOM 734 N ASP A 51 -8.709 0.491 5.345 1.00 0.00 N ATOM 735 CA ASP A 51 -7.584 -0.286 5.847 1.00 0.00 C ATOM 736 C ASP A 51 -7.746 -1.740 5.413 1.00 0.00 C ATOM 737 O ASP A 51 -8.775 -2.360 5.682 1.00 0.00 O ATOM 738 CB ASP A 51 -7.526 -0.191 7.377 1.00 0.00 C ATOM 739 CG ASP A 51 -6.208 -0.671 7.958 1.00 0.00 C ATOM 740 OD1 ASP A 51 -5.265 0.147 8.054 1.00 0.00 O ATOM 741 OD2 ASP A 51 -6.116 -1.852 8.347 1.00 0.00 O ATOM 0 H ASP A 51 -9.619 0.056 5.497 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.654 0.110 5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.692 0.844 7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.339 -0.780 7.802 1.00 0.00 H new ATOM 746 N TYR A 52 -6.753 -2.270 4.712 1.00 0.00 N ATOM 747 CA TYR A 52 -6.820 -3.648 4.244 1.00 0.00 C ATOM 748 C TYR A 52 -6.306 -4.594 5.314 1.00 0.00 C ATOM 749 O TYR A 52 -5.137 -4.559 5.699 1.00 0.00 O ATOM 750 CB TYR A 52 -6.047 -3.832 2.939 1.00 0.00 C ATOM 751 CG TYR A 52 -6.788 -3.343 1.716 1.00 0.00 C ATOM 752 CD1 TYR A 52 -7.216 -2.024 1.612 1.00 0.00 C ATOM 753 CD2 TYR A 52 -7.053 -4.203 0.658 1.00 0.00 C ATOM 754 CE1 TYR A 52 -7.884 -1.576 0.488 1.00 0.00 C ATOM 755 CE2 TYR A 52 -7.721 -3.763 -0.470 1.00 0.00 C ATOM 756 CZ TYR A 52 -8.134 -2.451 -0.550 1.00 0.00 C ATOM 757 OH TYR A 52 -8.794 -2.009 -1.675 1.00 0.00 O ATOM 0 H TYR A 52 -5.900 -1.773 4.457 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.865 -3.885 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.097 -3.302 3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.813 -4.889 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.023 -1.338 2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.732 -5.232 0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.208 -0.548 0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.918 -4.444 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.889 -2.749 -2.311 1.00 0.00 H new ATOM 767 N PHE A 53 -7.202 -5.446 5.772 1.00 0.00 N ATOM 768 CA PHE A 53 -6.968 -6.280 6.932 1.00 0.00 C ATOM 769 C PHE A 53 -7.740 -7.583 6.758 1.00 0.00 C ATOM 770 O PHE A 53 -8.954 -7.636 6.962 1.00 0.00 O ATOM 771 CB PHE A 53 -7.443 -5.498 8.153 1.00 0.00 C ATOM 772 CG PHE A 53 -6.851 -5.920 9.460 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.552 -5.574 9.781 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.607 -6.622 10.381 1.00 0.00 C ATOM 775 CE1 PHE A 53 -5.010 -5.931 10.997 1.00 0.00 C ATOM 776 CE2 PHE A 53 -7.071 -6.977 11.601 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.773 -6.631 11.910 1.00 0.00 C ATOM 0 H PHE A 53 -8.119 -5.579 5.346 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.915 -6.532 7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.219 -4.443 7.996 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.527 -5.587 8.220 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.956 -5.019 9.072 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.625 -6.894 10.143 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.991 -5.664 11.235 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.668 -7.526 12.314 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.353 -6.907 12.866 1.00 0.00 H new ATOM 787 N CYS A 54 -7.037 -8.620 6.335 1.00 0.00 N ATOM 788 CA CYS A 54 -7.679 -9.871 5.959 1.00 0.00 C ATOM 789 C CYS A 54 -8.057 -10.697 7.179 1.00 0.00 C ATOM 790 O CYS A 54 -7.289 -11.535 7.631 1.00 0.00 O ATOM 791 CB CYS A 54 -6.777 -10.685 5.013 1.00 0.00 C ATOM 792 SG CYS A 54 -5.043 -10.844 5.535 1.00 0.00 S ATOM 0 H CYS A 54 -6.021 -8.622 6.243 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.599 -9.620 5.432 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.200 -11.684 4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.801 -10.221 4.027 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.390 -11.550 4.661 1.00 0.00 H new ATOM 797 N GLN A 55 -9.252 -10.459 7.708 1.00 0.00 N ATOM 798 CA GLN A 55 -9.751 -11.248 8.826 1.00 0.00 C ATOM 799 C GLN A 55 -10.235 -12.597 8.321 1.00 0.00 C ATOM 800 O GLN A 55 -10.103 -13.617 8.994 1.00 0.00 O ATOM 801 CB GLN A 55 -10.879 -10.514 9.556 1.00 0.00 C ATOM 802 CG GLN A 55 -10.484 -9.137 10.065 1.00 0.00 C ATOM 803 CD GLN A 55 -11.539 -8.511 10.959 1.00 0.00 C ATOM 804 OE1 GLN A 55 -11.508 -8.666 12.179 1.00 0.00 O ATOM 805 NE2 GLN A 55 -12.492 -7.818 10.356 1.00 0.00 N ATOM 0 H GLN A 55 -9.889 -9.731 7.383 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.938 -11.400 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.730 -10.412 8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.210 -11.122 10.398 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.547 -9.214 10.617 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.300 -8.480 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.482 -7.713 9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.236 -7.389 10.906 1.00 0.00 H new ATOM 814 N ASN A 56 -10.782 -12.587 7.114 1.00 0.00 N ATOM 815 CA ASN A 56 -11.214 -13.811 6.456 1.00 0.00 C ATOM 816 C ASN A 56 -10.313 -14.091 5.267 1.00 0.00 C ATOM 817 O ASN A 56 -10.154 -13.245 4.389 1.00 0.00 O ATOM 818 CB ASN A 56 -12.674 -13.705 6.003 1.00 0.00 C ATOM 819 CG ASN A 56 -13.639 -13.653 7.172 1.00 0.00 C ATOM 820 OD1 ASN A 56 -13.366 -14.194 8.243 1.00 0.00 O ATOM 821 ND2 ASN A 56 -14.775 -13.002 6.979 1.00 0.00 N ATOM 0 H ASN A 56 -10.938 -11.740 6.568 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.143 -14.634 7.167 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.798 -12.811 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.919 -14.559 5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.459 -12.936 7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.966 -12.566 6.077 1.00 0.00 H new ATOM 828 N GLY A 57 -9.711 -15.270 5.256 1.00 0.00 N ATOM 829 CA GLY A 57 -8.760 -15.611 4.218 1.00 0.00 C ATOM 830 C GLY A 57 -7.339 -15.571 4.738 1.00 0.00 C ATOM 831 O GLY A 57 -6.378 -15.774 3.991 1.00 0.00 O ATOM 0 H GLY A 57 -9.865 -16.001 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.980 -16.607 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.864 -14.916 3.384 1.00 0.00 H new ATOM 835 N HIS A 58 -7.214 -15.300 6.030 1.00 0.00 N ATOM 836 CA HIS A 58 -5.917 -15.228 6.688 1.00 0.00 C ATOM 837 C HIS A 58 -6.106 -15.091 8.192 1.00 0.00 C ATOM 838 O HIS A 58 -5.889 -16.035 8.949 1.00 0.00 O ATOM 839 CB HIS A 58 -5.105 -14.037 6.152 1.00 0.00 C ATOM 840 CG HIS A 58 -3.722 -13.900 6.729 1.00 0.00 C ATOM 841 ND1 HIS A 58 -2.579 -13.989 5.963 1.00 0.00 N ATOM 842 CD2 HIS A 58 -3.300 -13.662 7.998 1.00 0.00 C ATOM 843 CE1 HIS A 58 -1.518 -13.806 6.744 1.00 0.00 C ATOM 844 NE2 HIS A 58 -1.930 -13.611 7.978 1.00 0.00 N ATOM 0 H HIS A 58 -8.005 -15.125 6.649 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.369 -16.146 6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.023 -14.130 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -5.659 -13.120 6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.930 -13.536 8.866 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.488 -13.816 6.419 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -1.329 -13.449 8.786 1.00 0.00 H new ATOM 852 N GLY A 59 -6.528 -13.910 8.602 1.00 0.00 N ATOM 853 CA GLY A 59 -6.621 -13.583 10.004 1.00 0.00 C ATOM 854 C GLY A 59 -5.960 -12.252 10.276 1.00 0.00 C ATOM 855 O GLY A 59 -5.165 -11.786 9.463 1.00 0.00 O ATOM 0 H GLY A 59 -6.813 -13.158 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.667 -13.546 10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.144 -14.362 10.599 1.00 0.00 H new ATOM 859 N LEU A 60 -6.278 -11.638 11.402 1.00 0.00 N ATOM 860 CA LEU A 60 -5.750 -10.318 11.721 1.00 0.00 C ATOM 861 C LEU A 60 -4.219 -10.310 11.732 1.00 0.00 C ATOM 862 O LEU A 60 -3.577 -11.189 12.312 1.00 0.00 O ATOM 863 CB LEU A 60 -6.329 -9.820 13.057 1.00 0.00 C ATOM 864 CG LEU A 60 -6.504 -10.871 14.164 1.00 0.00 C ATOM 865 CD1 LEU A 60 -5.185 -11.179 14.856 1.00 0.00 C ATOM 866 CD2 LEU A 60 -7.538 -10.399 15.173 1.00 0.00 C ATOM 0 H LEU A 60 -6.898 -12.029 12.111 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.062 -9.628 10.937 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.681 -9.030 13.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.301 -9.367 12.860 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.854 -11.793 13.700 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.347 -11.926 15.633 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.472 -11.563 14.126 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.789 -10.269 15.306 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.655 -11.151 15.953 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.209 -9.461 15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.493 -10.246 14.671 1.00 0.00 H new ATOM 878 N ILE A 61 -3.655 -9.329 11.045 1.00 0.00 N ATOM 879 CA ILE A 61 -2.213 -9.165 10.959 1.00 0.00 C ATOM 880 C ILE A 61 -1.799 -8.021 11.873 1.00 0.00 C ATOM 881 O ILE A 61 -2.620 -7.170 12.215 1.00 0.00 O ATOM 882 CB ILE A 61 -1.741 -8.819 9.512 1.00 0.00 C ATOM 883 CG1 ILE A 61 -2.527 -9.602 8.448 1.00 0.00 C ATOM 884 CG2 ILE A 61 -0.247 -9.080 9.349 1.00 0.00 C ATOM 885 CD1 ILE A 61 -3.844 -8.958 8.068 1.00 0.00 C ATOM 0 H ILE A 61 -4.184 -8.624 10.531 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.755 -10.110 11.252 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.936 -7.757 9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.911 -9.703 7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.719 -10.609 8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.057 -8.831 8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.309 -8.464 10.055 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.038 -10.132 9.543 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.342 -9.566 7.313 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.480 -8.882 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.659 -7.961 7.667 1.00 0.00 H new ATOM 897 N SER A 62 -0.551 -7.997 12.288 1.00 0.00 N ATOM 898 CA SER A 62 -0.023 -6.828 12.955 1.00 0.00 C ATOM 899 C SER A 62 0.180 -5.738 11.910 1.00 0.00 C ATOM 900 O SER A 62 0.924 -5.932 10.948 1.00 0.00 O ATOM 901 CB SER A 62 1.299 -7.158 13.658 1.00 0.00 C ATOM 902 OG SER A 62 1.835 -6.018 14.314 1.00 0.00 O ATOM 0 H SER A 62 0.111 -8.765 12.177 1.00 0.00 H new ATOM 0 HA SER A 62 -0.722 -6.486 13.719 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.138 -7.955 14.384 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.018 -7.531 12.928 1.00 0.00 H new ATOM 0 HG SER A 62 2.676 -6.260 14.754 1.00 0.00 H new ATOM 908 N LYS A 63 -0.491 -4.602 12.068 1.00 0.00 N ATOM 909 CA LYS A 63 -0.353 -3.518 11.101 1.00 0.00 C ATOM 910 C LYS A 63 0.996 -2.811 11.241 1.00 0.00 C ATOM 911 O LYS A 63 1.245 -1.787 10.612 1.00 0.00 O ATOM 912 CB LYS A 63 -1.532 -2.529 11.162 1.00 0.00 C ATOM 913 CG LYS A 63 -2.031 -2.163 12.556 1.00 0.00 C ATOM 914 CD LYS A 63 -1.034 -1.324 13.338 1.00 0.00 C ATOM 915 CE LYS A 63 -1.746 -0.336 14.252 1.00 0.00 C ATOM 916 NZ LYS A 63 -2.835 -0.975 15.042 1.00 0.00 N ATOM 0 H LYS A 63 -1.126 -4.409 12.843 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.380 -3.970 10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.237 -1.612 10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.364 -2.953 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.970 -1.616 12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.245 -3.076 13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.392 -1.975 13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.388 -0.784 12.647 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.022 0.112 14.933 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.163 0.474 13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.070 -0.375 15.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.677 -1.090 14.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.519 -1.907 15.378 1.00 0.00 H new ATOM 930 N LYS A 64 1.866 -3.381 12.064 1.00 0.00 N ATOM 931 CA LYS A 64 3.259 -2.966 12.117 1.00 0.00 C ATOM 932 C LYS A 64 4.082 -3.855 11.185 1.00 0.00 C ATOM 933 O LYS A 64 5.266 -3.607 10.949 1.00 0.00 O ATOM 934 CB LYS A 64 3.800 -3.074 13.547 1.00 0.00 C ATOM 935 CG LYS A 64 3.029 -2.249 14.566 1.00 0.00 C ATOM 936 CD LYS A 64 3.556 -2.471 15.978 1.00 0.00 C ATOM 937 CE LYS A 64 4.960 -1.909 16.160 1.00 0.00 C ATOM 938 NZ LYS A 64 4.976 -0.421 16.115 1.00 0.00 N ATOM 0 H LYS A 64 1.628 -4.136 12.707 1.00 0.00 H new ATOM 0 HA LYS A 64 3.333 -1.926 11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.781 -4.120 13.853 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.843 -2.758 13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.103 -1.192 14.311 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.972 -2.513 14.525 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.882 -2.001 16.694 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.562 -3.538 16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.365 -2.247 17.114 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.612 -2.302 15.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.917 -0.075 16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.761 -0.101 15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.262 -0.046 16.771 1.00 0.00 H new ATOM 952 N ARG A 65 3.434 -4.896 10.664 1.00 0.00 N ATOM 953 CA ARG A 65 4.088 -5.880 9.806 1.00 0.00 C ATOM 954 C ARG A 65 3.518 -5.861 8.389 1.00 0.00 C ATOM 955 O ARG A 65 4.125 -6.407 7.466 1.00 0.00 O ATOM 956 CB ARG A 65 3.913 -7.284 10.391 1.00 0.00 C ATOM 957 CG ARG A 65 4.627 -7.513 11.712 1.00 0.00 C ATOM 958 CD ARG A 65 6.132 -7.608 11.532 1.00 0.00 C ATOM 959 NE ARG A 65 6.768 -6.301 11.357 1.00 0.00 N ATOM 960 CZ ARG A 65 7.951 -6.121 10.769 1.00 0.00 C ATOM 961 NH1 ARG A 65 8.570 -7.137 10.181 1.00 0.00 N ATOM 962 NH2 ARG A 65 8.502 -4.912 10.740 1.00 0.00 N ATOM 0 H ARG A 65 2.444 -5.080 10.825 1.00 0.00 H new ATOM 0 HA ARG A 65 5.145 -5.619 9.759 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.849 -7.475 10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.275 -8.013 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.394 -6.698 12.397 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.257 -8.430 12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.566 -8.104 12.400 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.351 -8.232 10.665 1.00 0.00 H new ATOM 0 HE ARG A 65 6.276 -5.478 11.706 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.141 -8.062 10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.475 -6.993 9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.020 -4.121 11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.407 -4.775 10.290 1.00 0.00 H new ATOM 976 N VAL A 66 2.345 -5.252 8.224 1.00 0.00 N ATOM 977 CA VAL A 66 1.692 -5.183 6.916 1.00 0.00 C ATOM 978 C VAL A 66 2.573 -4.457 5.905 1.00 0.00 C ATOM 979 O VAL A 66 3.286 -3.509 6.247 1.00 0.00 O ATOM 980 CB VAL A 66 0.315 -4.484 6.989 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.651 -5.296 7.834 1.00 0.00 C ATOM 982 CG2 VAL A 66 0.444 -3.073 7.540 1.00 0.00 C ATOM 0 H VAL A 66 1.827 -4.800 8.978 1.00 0.00 H new ATOM 0 HA VAL A 66 1.536 -6.212 6.591 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.080 -4.416 5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.615 -4.788 7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.779 -6.284 7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.253 -5.399 8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.540 -2.606 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.868 -3.112 8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.097 -2.488 6.893 1.00 0.00 H new ATOM 992 N ASN A 67 2.534 -4.909 4.665 1.00 0.00 N ATOM 993 CA ASN A 67 3.373 -4.326 3.631 1.00 0.00 C ATOM 994 C ASN A 67 2.594 -3.334 2.786 1.00 0.00 C ATOM 995 O ASN A 67 1.810 -3.719 1.923 1.00 0.00 O ATOM 996 CB ASN A 67 3.981 -5.408 2.732 1.00 0.00 C ATOM 997 CG ASN A 67 5.045 -6.237 3.430 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.273 -7.395 3.079 1.00 0.00 O ATOM 999 ND2 ASN A 67 5.705 -5.654 4.419 1.00 0.00 N ATOM 0 H ASN A 67 1.935 -5.672 4.350 1.00 0.00 H new ATOM 0 HA ASN A 67 4.182 -3.797 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.188 -6.068 2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.417 -4.937 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.431 -6.166 4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.487 -4.692 4.680 1.00 0.00 H new ATOM 1006 N PHE A 68 2.793 -2.054 3.058 1.00 0.00 N ATOM 1007 CA PHE A 68 2.230 -1.007 2.221 1.00 0.00 C ATOM 1008 C PHE A 68 3.032 -0.893 0.935 1.00 0.00 C ATOM 1009 O PHE A 68 4.138 -0.351 0.923 1.00 0.00 O ATOM 1010 CB PHE A 68 2.210 0.337 2.957 1.00 0.00 C ATOM 1011 CG PHE A 68 1.035 0.508 3.877 1.00 0.00 C ATOM 1012 CD1 PHE A 68 0.993 -0.125 5.109 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -0.032 1.309 3.503 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.090 0.041 5.950 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -1.116 1.478 4.339 1.00 0.00 C ATOM 1016 CZ PHE A 68 -1.146 0.843 5.564 1.00 0.00 C ATOM 0 H PHE A 68 3.339 -1.716 3.850 1.00 0.00 H new ATOM 0 HA PHE A 68 1.200 -1.272 1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.129 0.438 3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.205 1.143 2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.816 -0.755 5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.015 1.807 2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.111 -0.456 6.909 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.940 2.106 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.994 0.973 6.220 1.00 0.00 H new ATOM 1026 N VAL A 69 2.485 -1.437 -0.137 1.00 0.00 N ATOM 1027 CA VAL A 69 3.170 -1.450 -1.416 1.00 0.00 C ATOM 1028 C VAL A 69 2.695 -0.308 -2.303 1.00 0.00 C ATOM 1029 O VAL A 69 1.545 0.130 -2.215 1.00 0.00 O ATOM 1030 CB VAL A 69 2.972 -2.793 -2.155 1.00 0.00 C ATOM 1031 CG1 VAL A 69 3.597 -3.935 -1.367 1.00 0.00 C ATOM 1032 CG2 VAL A 69 1.494 -3.065 -2.407 1.00 0.00 C ATOM 0 H VAL A 69 1.565 -1.877 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 69 4.232 -1.322 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 69 3.473 -2.723 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.447 -4.872 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.665 -3.752 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.127 -4.000 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.383 -4.016 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.965 -3.109 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.076 -2.265 -3.018 1.00 0.00 H new ATOM 1042 N ILE A 70 3.594 0.181 -3.142 1.00 0.00 N ATOM 1043 CA ILE A 70 3.263 1.227 -4.093 1.00 0.00 C ATOM 1044 C ILE A 70 2.658 0.617 -5.349 1.00 0.00 C ATOM 1045 O ILE A 70 3.277 -0.224 -6.002 1.00 0.00 O ATOM 1046 CB ILE A 70 4.505 2.064 -4.465 1.00 0.00 C ATOM 1047 CG1 ILE A 70 5.018 2.819 -3.234 1.00 0.00 C ATOM 1048 CG2 ILE A 70 4.185 3.028 -5.601 1.00 0.00 C ATOM 1049 CD1 ILE A 70 6.262 3.642 -3.492 1.00 0.00 C ATOM 0 H ILE A 70 4.564 -0.133 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 70 2.536 1.889 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 70 5.290 1.391 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.229 3.476 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.228 2.101 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.074 3.608 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.865 2.464 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.386 3.702 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.562 4.146 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.067 2.989 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.053 4.385 -4.261 1.00 0.00 H new ATOM 1061 N SER A 71 1.444 1.025 -5.673 1.00 0.00 N ATOM 1062 CA SER A 71 0.760 0.499 -6.839 1.00 0.00 C ATOM 1063 C SER A 71 1.203 1.233 -8.104 1.00 0.00 C ATOM 1064 O SER A 71 0.550 2.178 -8.547 1.00 0.00 O ATOM 1065 CB SER A 71 -0.754 0.616 -6.654 1.00 0.00 C ATOM 1066 OG SER A 71 -1.156 0.036 -5.422 1.00 0.00 O ATOM 0 H SER A 71 0.913 1.718 -5.146 1.00 0.00 H new ATOM 0 HA SER A 71 1.021 -0.553 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.049 1.665 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.265 0.120 -7.479 1.00 0.00 H new ATOM 0 HG SER A 71 -2.127 0.122 -5.321 1.00 0.00 H new ATOM 1072 N ASP A 72 2.346 0.831 -8.649 1.00 0.00 N ATOM 1073 CA ASP A 72 2.820 1.391 -9.911 1.00 0.00 C ATOM 1074 C ASP A 72 2.747 0.336 -11.010 1.00 0.00 C ATOM 1075 O ASP A 72 2.697 0.662 -12.196 1.00 0.00 O ATOM 1076 CB ASP A 72 4.253 1.927 -9.785 1.00 0.00 C ATOM 1077 CG ASP A 72 5.311 0.839 -9.858 1.00 0.00 C ATOM 1078 OD1 ASP A 72 5.586 0.198 -8.823 1.00 0.00 O ATOM 1079 OD2 ASP A 72 5.876 0.631 -10.950 1.00 0.00 O ATOM 0 H ASP A 72 2.958 0.125 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 72 2.173 2.229 -10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.433 2.653 -10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.353 2.458 -8.838 1.00 0.00 H new ATOM 1084 N GLN A 73 2.730 -0.929 -10.607 1.00 0.00 N ATOM 1085 CA GLN A 73 2.601 -2.029 -11.553 1.00 0.00 C ATOM 1086 C GLN A 73 1.133 -2.372 -11.774 1.00 0.00 C ATOM 1087 O GLN A 73 0.612 -3.330 -11.200 1.00 0.00 O ATOM 1088 CB GLN A 73 3.359 -3.270 -11.068 1.00 0.00 C ATOM 1089 CG GLN A 73 4.871 -3.109 -11.033 1.00 0.00 C ATOM 1090 CD GLN A 73 5.461 -2.781 -12.392 1.00 0.00 C ATOM 1091 OE1 GLN A 73 5.747 -3.675 -13.188 1.00 0.00 O ATOM 1092 NE2 GLN A 73 5.689 -1.505 -12.647 1.00 0.00 N ATOM 0 H GLN A 73 2.804 -1.218 -9.632 1.00 0.00 H new ATOM 0 HA GLN A 73 3.039 -1.707 -12.498 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.010 -3.526 -10.068 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.110 -4.110 -11.717 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.131 -2.318 -10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.321 -4.029 -10.660 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.437 -0.795 -11.960 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.117 -1.230 -13.531 1.00 0.00 H new ATOM 1101 N LEU A 74 0.457 -1.557 -12.567 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.935 -1.809 -12.904 1.00 0.00 C ATOM 1103 C LEU A 74 -1.034 -2.303 -14.341 1.00 0.00 C ATOM 1104 O LEU A 74 -2.053 -2.858 -14.759 1.00 0.00 O ATOM 1105 CB LEU A 74 -1.771 -0.540 -12.711 1.00 0.00 C ATOM 1106 CG LEU A 74 -3.285 -0.726 -12.859 1.00 0.00 C ATOM 1107 CD1 LEU A 74 -3.809 -1.714 -11.826 1.00 0.00 C ATOM 1108 CD2 LEU A 74 -4.000 0.610 -12.734 1.00 0.00 C ATOM 0 H LEU A 74 0.849 -0.715 -12.989 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.328 -2.578 -12.239 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.566 -0.137 -11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.441 0.207 -13.433 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.486 -1.132 -13.850 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.886 -1.832 -11.948 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.321 -2.679 -11.964 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.596 -1.340 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.074 0.459 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.791 1.045 -11.757 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.648 1.285 -13.514 1.00 0.00 H new ATOM 1120 N GLU A 75 0.042 -2.099 -15.089 1.00 0.00 N ATOM 1121 CA GLU A 75 0.119 -2.560 -16.465 1.00 0.00 C ATOM 1122 C GLU A 75 0.433 -4.044 -16.492 1.00 0.00 C ATOM 1123 O GLU A 75 1.195 -4.534 -15.655 1.00 0.00 O ATOM 1124 CB GLU A 75 1.184 -1.785 -17.244 1.00 0.00 C ATOM 1125 CG GLU A 75 0.804 -0.345 -17.557 1.00 0.00 C ATOM 1126 CD GLU A 75 0.628 0.513 -16.323 1.00 0.00 C ATOM 1127 OE1 GLU A 75 1.631 0.780 -15.632 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -0.510 0.943 -16.048 1.00 0.00 O ATOM 0 H GLU A 75 0.877 -1.614 -14.762 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.845 -2.385 -16.942 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.111 -1.788 -16.671 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.386 -2.307 -18.179 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.574 0.096 -18.190 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.123 -0.338 -18.130 1.00 0.00 H new ATOM 1135 N HIS A 76 -0.159 -4.749 -17.452 1.00 0.00 N ATOM 1136 CA HIS A 76 -0.025 -6.197 -17.548 1.00 0.00 C ATOM 1137 C HIS A 76 -0.552 -6.833 -16.264 1.00 0.00 C ATOM 1138 O HIS A 76 0.204 -7.401 -15.474 1.00 0.00 O ATOM 1139 CB HIS A 76 1.442 -6.596 -17.810 1.00 0.00 C ATOM 1140 CG HIS A 76 1.637 -8.035 -18.197 1.00 0.00 C ATOM 1141 ND1 HIS A 76 2.029 -8.429 -19.459 1.00 0.00 N ATOM 1142 CD2 HIS A 76 1.518 -9.175 -17.478 1.00 0.00 C ATOM 1143 CE1 HIS A 76 2.138 -9.742 -19.497 1.00 0.00 C ATOM 1144 NE2 HIS A 76 1.834 -10.221 -18.308 1.00 0.00 N ATOM 0 H HIS A 76 -0.741 -4.335 -18.180 1.00 0.00 H new ATOM 0 HA HIS A 76 -0.613 -6.561 -18.391 1.00 0.00 H new ATOM 0 HB2 HIS A 76 1.842 -5.963 -18.602 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.027 -6.392 -16.913 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.227 -9.248 -16.440 1.00 0.00 H new ATOM 0 HE1 HIS A 76 2.428 -10.327 -20.358 1.00 0.00 H new ATOM 0 HE2 HIS A 76 1.834 -11.207 -18.047 1.00 0.00 H new ATOM 1153 N HIS A 77 -1.853 -6.694 -16.041 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.475 -7.228 -14.842 1.00 0.00 C ATOM 1155 C HIS A 77 -2.375 -8.747 -14.853 1.00 0.00 C ATOM 1156 O HIS A 77 -2.695 -9.389 -15.852 1.00 0.00 O ATOM 1157 CB HIS A 77 -3.940 -6.789 -14.751 1.00 0.00 C ATOM 1158 CG HIS A 77 -4.506 -6.850 -13.363 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -4.877 -5.726 -12.656 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -4.766 -7.902 -12.549 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -5.333 -6.081 -11.471 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -5.278 -7.396 -11.380 1.00 0.00 N ATOM 0 H HIS A 77 -2.494 -6.217 -16.675 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.952 -6.840 -13.968 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.028 -5.769 -15.124 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.540 -7.421 -15.406 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.601 -8.945 -12.778 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.691 -5.409 -10.705 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.569 -7.947 -10.572 1.00 0.00 H new ATOM 1171 N HIS A 78 -1.914 -9.305 -13.743 1.00 0.00 N ATOM 1172 CA HIS A 78 -1.685 -10.740 -13.633 1.00 0.00 C ATOM 1173 C HIS A 78 -2.952 -11.549 -13.897 1.00 0.00 C ATOM 1174 O HIS A 78 -3.909 -11.502 -13.124 1.00 0.00 O ATOM 1175 CB HIS A 78 -1.125 -11.086 -12.252 1.00 0.00 C ATOM 1176 CG HIS A 78 0.338 -10.794 -12.098 1.00 0.00 C ATOM 1177 ND1 HIS A 78 1.270 -11.771 -11.837 1.00 0.00 N ATOM 1178 CD2 HIS A 78 1.027 -9.628 -12.158 1.00 0.00 C ATOM 1179 CE1 HIS A 78 2.468 -11.224 -11.740 1.00 0.00 C ATOM 1180 NE2 HIS A 78 2.346 -9.925 -11.932 1.00 0.00 N ATOM 0 H HIS A 78 -1.689 -8.780 -12.898 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.957 -11.008 -14.399 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.678 -10.528 -11.496 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.297 -12.144 -12.056 1.00 0.00 H new ATOM 0 HD2 HIS A 78 0.614 -8.648 -12.348 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.389 -11.750 -11.538 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.110 -9.250 -11.915 1.00 0.00 H new ATOM 1189 N HIS A 79 -2.944 -12.258 -15.016 1.00 0.00 N ATOM 1190 CA HIS A 79 -3.989 -13.213 -15.366 1.00 0.00 C ATOM 1191 C HIS A 79 -3.451 -14.135 -16.450 1.00 0.00 C ATOM 1192 O HIS A 79 -2.461 -13.804 -17.098 1.00 0.00 O ATOM 1193 CB HIS A 79 -5.287 -12.517 -15.828 1.00 0.00 C ATOM 1194 CG HIS A 79 -5.137 -11.588 -16.999 1.00 0.00 C ATOM 1195 ND1 HIS A 79 -5.415 -10.241 -16.921 1.00 0.00 N ATOM 1196 CD2 HIS A 79 -4.772 -11.817 -18.285 1.00 0.00 C ATOM 1197 CE1 HIS A 79 -5.228 -9.684 -18.102 1.00 0.00 C ATOM 1198 NE2 HIS A 79 -4.838 -10.617 -18.948 1.00 0.00 N ATOM 0 H HIS A 79 -2.205 -12.187 -15.715 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.253 -13.788 -14.478 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.019 -13.283 -16.085 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.696 -11.954 -14.989 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.483 -12.767 -18.709 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.370 -8.639 -18.336 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.621 -10.471 -19.934 1.00 0.00 H new ATOM 1207 N HIS A 80 -4.086 -15.278 -16.651 1.00 0.00 N ATOM 1208 CA HIS A 80 -3.575 -16.244 -17.613 1.00 0.00 C ATOM 1209 C HIS A 80 -4.220 -16.026 -18.974 1.00 0.00 C ATOM 1210 O HIS A 80 -3.549 -16.072 -20.003 1.00 0.00 O ATOM 1211 CB HIS A 80 -3.818 -17.675 -17.125 1.00 0.00 C ATOM 1212 CG HIS A 80 -2.935 -18.690 -17.789 1.00 0.00 C ATOM 1213 ND1 HIS A 80 -1.888 -19.309 -17.143 1.00 0.00 N ATOM 1214 CD2 HIS A 80 -2.944 -19.191 -19.046 1.00 0.00 C ATOM 1215 CE1 HIS A 80 -1.292 -20.142 -17.972 1.00 0.00 C ATOM 1216 NE2 HIS A 80 -1.913 -20.092 -19.134 1.00 0.00 N ATOM 0 H HIS A 80 -4.941 -15.558 -16.171 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.499 -16.097 -17.711 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.659 -17.715 -16.047 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.860 -17.939 -17.303 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.635 -18.930 -19.834 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.439 -20.761 -17.739 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.667 -20.634 -19.962 1.00 0.00 H new ATOM 1225 N HIS A 81 -5.520 -15.775 -18.973 1.00 0.00 N ATOM 1226 CA HIS A 81 -6.261 -15.529 -20.202 1.00 0.00 C ATOM 1227 C HIS A 81 -7.604 -14.896 -19.867 1.00 0.00 C ATOM 1228 O HIS A 81 -7.674 -13.655 -19.776 1.00 0.00 O ATOM 1229 CB HIS A 81 -6.460 -16.839 -20.980 1.00 0.00 C ATOM 1230 CG HIS A 81 -7.220 -16.686 -22.265 1.00 0.00 C ATOM 1231 ND1 HIS A 81 -6.639 -16.260 -23.440 1.00 0.00 N ATOM 1232 CD2 HIS A 81 -8.521 -16.921 -22.558 1.00 0.00 C ATOM 1233 CE1 HIS A 81 -7.548 -16.239 -24.396 1.00 0.00 C ATOM 1234 NE2 HIS A 81 -8.700 -16.636 -23.889 1.00 0.00 N ATOM 1235 OXT HIS A 81 -8.576 -15.647 -19.661 1.00 0.00 O ATOM 0 H HIS A 81 -6.089 -15.736 -18.127 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.693 -14.845 -20.832 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.483 -17.270 -21.199 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.986 -17.550 -20.343 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.278 -17.269 -21.871 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -7.378 -15.946 -25.422 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.578 -16.718 -24.401 1.00 0.00 H new TER 1244 HIS A 81 HETATM 1245 ZN ZN A 150 9.328 11.640 -5.650 1.00 0.00 ZN HETATM 1246 ZN ZN A 200 -2.078 -15.215 4.187 1.00 0.00 ZN