USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Single : A 3 THR OG1 : rot -20:sc= 0.633 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.92) USER MOD Single : A 23 THR OG1 : rot 94:sc= -2.5 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 37 SER OG : rot -64:sc= 0.399 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -139:sc= 0 (180deg=-0.0638) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -3.07! (180deg=-5.18!) USER MOD Single : A 44 ASN :FLIP amide:sc= -2.69! C(o=-5.4!,f=-2.7!) USER MOD Single : A 46 MET CE :methyl -171:sc= -0.82 (180deg=-1.2) USER MOD Single : A 52 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.23 X(o=-3.2,f=-3.7!) USER MOD Single : A 66 THR OG1 : rot -38:sc= 0.359 USER MOD Single : A 69 SER OG : rot 180:sc= -0.772! USER MOD Single : A 70 TYR OH : rot 165:sc= -0.0281 USER MOD Single : A 78 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-4.9!) USER MOD Single : A 79 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0812 USER MOD Single : A 83 ASN : amide:sc= 0.469 K(o=0.47,f=-0.11) USER MOD Single : A 85 SER OG : rot -60:sc= -3.87! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -9.028 25.932 -12.903 1.00 0.00 N ATOM 2 CA THR A 3 -8.179 25.982 -11.717 1.00 0.00 C ATOM 3 C THR A 3 -6.919 25.146 -11.909 1.00 0.00 C ATOM 4 O THR A 3 -6.771 24.448 -12.911 1.00 0.00 O ATOM 5 CB THR A 3 -8.929 25.482 -10.469 1.00 0.00 C ATOM 6 OG1 THR A 3 -10.032 24.653 -10.857 1.00 0.00 O ATOM 7 CG2 THR A 3 -9.436 26.650 -9.638 1.00 0.00 C ATOM 0 HA THR A 3 -7.900 27.025 -11.570 1.00 0.00 H new ATOM 0 HB THR A 3 -8.233 24.900 -9.865 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.265 24.835 -11.791 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.962 26.272 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.593 27.262 -9.318 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.117 27.255 -10.237 1.00 0.00 H new ATOM 15 N ASP A 4 -6.013 25.221 -10.939 1.00 0.00 N ATOM 16 CA ASP A 4 -4.765 24.470 -11.000 1.00 0.00 C ATOM 17 C ASP A 4 -3.899 24.750 -9.776 1.00 0.00 C ATOM 18 O ASP A 4 -3.166 25.738 -9.732 1.00 0.00 O ATOM 19 CB ASP A 4 -3.995 24.821 -12.275 1.00 0.00 C ATOM 20 CG ASP A 4 -2.913 23.808 -12.595 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.731 22.862 -11.799 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.247 23.960 -13.641 1.00 0.00 O ATOM 0 H ASP A 4 -6.120 25.794 -10.102 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.011 23.408 -11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.691 24.881 -13.112 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.544 25.807 -12.164 1.00 0.00 H new ATOM 27 N ILE A 5 -3.988 23.868 -8.787 1.00 0.00 N ATOM 28 CA ILE A 5 -3.213 24.009 -7.560 1.00 0.00 C ATOM 29 C ILE A 5 -1.925 23.203 -7.640 1.00 0.00 C ATOM 30 O ILE A 5 -1.772 22.350 -8.511 1.00 0.00 O ATOM 31 CB ILE A 5 -4.007 23.542 -6.320 1.00 0.00 C ATOM 32 CG1 ILE A 5 -5.375 22.984 -6.718 1.00 0.00 C ATOM 33 CG2 ILE A 5 -4.169 24.686 -5.336 1.00 0.00 C ATOM 34 CD1 ILE A 5 -6.268 23.999 -7.398 1.00 0.00 C ATOM 0 H ILE A 5 -4.591 23.046 -8.811 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.986 25.070 -7.456 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.444 22.742 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.231 22.134 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.878 22.609 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.730 24.342 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.186 25.034 -5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.707 25.504 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.220 23.534 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.442 24.839 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.785 24.357 -8.308 1.00 0.00 H new ATOM 46 N ASP A 6 -1.002 23.463 -6.720 1.00 0.00 N ATOM 47 CA ASP A 6 0.259 22.737 -6.696 1.00 0.00 C ATOM 48 C ASP A 6 0.032 21.318 -6.199 1.00 0.00 C ATOM 49 O ASP A 6 0.445 20.348 -6.836 1.00 0.00 O ATOM 50 CB ASP A 6 1.280 23.443 -5.803 1.00 0.00 C ATOM 51 CG ASP A 6 2.568 22.653 -5.669 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.493 21.415 -5.506 1.00 0.00 O ATOM 53 OD2 ASP A 6 3.652 23.270 -5.728 1.00 0.00 O ATOM 0 H ASP A 6 -1.103 24.165 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 6 0.654 22.706 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.501 24.428 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.848 23.601 -4.815 1.00 0.00 H new ATOM 58 N GLU A 7 -0.634 21.210 -5.058 1.00 0.00 N ATOM 59 CA GLU A 7 -0.936 19.915 -4.460 1.00 0.00 C ATOM 60 C GLU A 7 0.325 19.235 -3.930 1.00 0.00 C ATOM 61 O GLU A 7 0.379 18.838 -2.765 1.00 0.00 O ATOM 62 CB GLU A 7 -1.631 19.016 -5.482 1.00 0.00 C ATOM 63 CG GLU A 7 -2.814 19.681 -6.175 1.00 0.00 C ATOM 64 CD GLU A 7 -2.515 20.060 -7.612 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.414 19.728 -8.098 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.384 20.688 -8.254 1.00 0.00 O ATOM 0 H GLU A 7 -0.978 22.008 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.603 20.083 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.906 18.708 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.975 18.111 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.669 19.006 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.099 20.575 -5.620 1.00 0.00 H new ATOM 73 N CYS A 8 1.337 19.101 -4.783 1.00 0.00 N ATOM 74 CA CYS A 8 2.587 18.468 -4.383 1.00 0.00 C ATOM 75 C CYS A 8 3.275 19.277 -3.294 1.00 0.00 C ATOM 76 O CYS A 8 4.023 18.736 -2.480 1.00 0.00 O ATOM 77 CB CYS A 8 3.515 18.312 -5.589 1.00 0.00 C ATOM 78 SG CYS A 8 2.964 17.062 -6.794 1.00 0.00 S ATOM 0 H CYS A 8 1.315 19.421 -5.751 1.00 0.00 H new ATOM 0 HA CYS A 8 2.357 17.479 -3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.602 19.274 -6.094 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.511 18.046 -5.235 1.00 0.00 H new ATOM 83 N ARG A 9 3.011 20.579 -3.279 1.00 0.00 N ATOM 84 CA ARG A 9 3.599 21.463 -2.284 1.00 0.00 C ATOM 85 C ARG A 9 3.038 21.154 -0.902 1.00 0.00 C ATOM 86 O ARG A 9 3.739 21.270 0.104 1.00 0.00 O ATOM 87 CB ARG A 9 3.331 22.924 -2.647 1.00 0.00 C ATOM 88 CG ARG A 9 4.533 23.631 -3.252 1.00 0.00 C ATOM 89 CD ARG A 9 5.332 24.376 -2.196 1.00 0.00 C ATOM 90 NE ARG A 9 6.364 25.223 -2.786 1.00 0.00 N ATOM 91 CZ ARG A 9 6.891 26.278 -2.173 1.00 0.00 C ATOM 92 NH1 ARG A 9 6.483 26.612 -0.955 1.00 0.00 N ATOM 93 NH2 ARG A 9 7.826 27.000 -2.775 1.00 0.00 N ATOM 0 H ARG A 9 2.394 21.044 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 9 4.676 21.298 -2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.501 22.968 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.017 23.460 -1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.174 22.902 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.197 24.331 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.658 24.989 -1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.796 23.658 -1.519 1.00 0.00 H new ATOM 0 HE ARG A 9 6.700 24.992 -3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.764 26.059 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.888 27.422 -0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.143 26.746 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.229 27.809 -2.302 1.00 0.00 H new ATOM 107 N ILE A 10 1.772 20.749 -0.860 1.00 0.00 N ATOM 108 CA ILE A 10 1.123 20.411 0.396 1.00 0.00 C ATOM 109 C ILE A 10 2.044 19.559 1.258 1.00 0.00 C ATOM 110 O ILE A 10 2.116 19.732 2.475 1.00 0.00 O ATOM 111 CB ILE A 10 -0.189 19.658 0.145 1.00 0.00 C ATOM 112 CG1 ILE A 10 -1.252 20.644 -0.326 1.00 0.00 C ATOM 113 CG2 ILE A 10 -0.647 18.922 1.398 1.00 0.00 C ATOM 114 CD1 ILE A 10 -2.582 19.997 -0.595 1.00 0.00 C ATOM 0 H ILE A 10 1.178 20.648 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 10 0.900 21.340 0.920 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.026 18.909 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.379 21.420 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.905 21.137 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.580 18.397 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.116 18.203 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.805 19.639 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.294 20.753 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.468 19.240 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.950 19.528 0.318 1.00 0.00 H new ATOM 126 N SER A 11 2.745 18.641 0.609 1.00 0.00 N ATOM 127 CA SER A 11 3.667 17.753 1.296 1.00 0.00 C ATOM 128 C SER A 11 4.641 17.126 0.305 1.00 0.00 C ATOM 129 O SER A 11 4.310 16.931 -0.864 1.00 0.00 O ATOM 130 CB SER A 11 2.893 16.660 2.034 1.00 0.00 C ATOM 131 OG SER A 11 3.231 16.633 3.409 1.00 0.00 O ATOM 0 H SER A 11 2.691 18.492 -0.399 1.00 0.00 H new ATOM 0 HA SER A 11 4.235 18.336 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.822 16.831 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.109 15.691 1.584 1.00 0.00 H new ATOM 0 HG SER A 11 2.721 15.927 3.857 1.00 0.00 H new ATOM 137 N PRO A 12 5.858 16.796 0.760 1.00 0.00 N ATOM 138 CA PRO A 12 6.880 16.187 -0.075 1.00 0.00 C ATOM 139 C PRO A 12 6.711 14.676 -0.144 1.00 0.00 C ATOM 140 O PRO A 12 7.217 14.020 -1.054 1.00 0.00 O ATOM 141 CB PRO A 12 8.193 16.544 0.636 1.00 0.00 C ATOM 142 CG PRO A 12 7.809 17.229 1.917 1.00 0.00 C ATOM 143 CD PRO A 12 6.341 16.979 2.125 1.00 0.00 C ATOM 0 HA PRO A 12 6.837 16.541 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.782 15.649 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.806 17.197 0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.389 16.838 2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.014 18.298 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.162 16.098 2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.852 17.818 2.620 1.00 0.00 H new ATOM 151 N ASP A 13 5.986 14.138 0.830 1.00 0.00 N ATOM 152 CA ASP A 13 5.731 12.706 0.895 1.00 0.00 C ATOM 153 C ASP A 13 4.258 12.424 0.637 1.00 0.00 C ATOM 154 O ASP A 13 3.720 11.412 1.080 1.00 0.00 O ATOM 155 CB ASP A 13 6.138 12.154 2.264 1.00 0.00 C ATOM 156 CG ASP A 13 7.018 10.924 2.150 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.048 10.993 1.448 1.00 0.00 O ATOM 158 OD2 ASP A 13 6.677 9.892 2.765 1.00 0.00 O ATOM 0 H ASP A 13 5.564 14.675 1.587 1.00 0.00 H new ATOM 0 HA ASP A 13 6.326 12.212 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.667 12.926 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.243 11.906 2.834 1.00 0.00 H new ATOM 163 N LEU A 14 3.614 13.335 -0.082 1.00 0.00 N ATOM 164 CA LEU A 14 2.198 13.197 -0.408 1.00 0.00 C ATOM 165 C LEU A 14 1.861 11.769 -0.823 1.00 0.00 C ATOM 166 O LEU A 14 0.782 11.262 -0.522 1.00 0.00 O ATOM 167 CB LEU A 14 1.823 14.159 -1.532 1.00 0.00 C ATOM 168 CG LEU A 14 0.817 15.247 -1.153 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.289 16.604 -1.649 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.557 14.922 -1.720 1.00 0.00 C ATOM 0 H LEU A 14 4.050 14.180 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 14 1.624 13.438 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.732 14.638 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.414 13.581 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 14 0.742 15.284 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.561 17.366 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.253 16.841 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.392 16.579 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.261 15.706 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.497 14.859 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.900 13.968 -1.319 1.00 0.00 H new ATOM 182 N CYS A 15 2.792 11.131 -1.526 1.00 0.00 N ATOM 183 CA CYS A 15 2.600 9.762 -2.001 1.00 0.00 C ATOM 184 C CYS A 15 2.995 8.748 -0.939 1.00 0.00 C ATOM 185 O CYS A 15 3.192 7.570 -1.235 1.00 0.00 O ATOM 186 CB CYS A 15 3.433 9.528 -3.257 1.00 0.00 C ATOM 187 SG CYS A 15 3.800 11.047 -4.182 1.00 0.00 S ATOM 0 H CYS A 15 3.691 11.541 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 15 1.542 9.631 -2.227 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.371 9.048 -2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.903 8.834 -3.910 1.00 0.00 H new ATOM 192 N GLY A 16 3.125 9.213 0.294 1.00 0.00 N ATOM 193 CA GLY A 16 3.517 8.332 1.375 1.00 0.00 C ATOM 194 C GLY A 16 4.779 7.550 1.052 1.00 0.00 C ATOM 195 O GLY A 16 5.076 6.551 1.707 1.00 0.00 O ATOM 0 H GLY A 16 2.966 10.183 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.677 8.919 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.705 7.636 1.586 1.00 0.00 H new ATOM 199 N ARG A 17 5.520 8.012 0.040 1.00 0.00 N ATOM 200 CA ARG A 17 6.762 7.362 -0.382 1.00 0.00 C ATOM 201 C ARG A 17 7.046 7.644 -1.858 1.00 0.00 C ATOM 202 O ARG A 17 8.193 7.855 -2.249 1.00 0.00 O ATOM 203 CB ARG A 17 6.692 5.848 -0.147 1.00 0.00 C ATOM 204 CG ARG A 17 7.798 5.065 -0.835 1.00 0.00 C ATOM 205 CD ARG A 17 8.906 4.694 0.137 1.00 0.00 C ATOM 206 NE ARG A 17 9.082 3.250 0.243 1.00 0.00 N ATOM 207 CZ ARG A 17 9.807 2.663 1.190 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.422 3.398 2.107 1.00 0.00 N ATOM 209 NH2 ARG A 17 9.918 1.342 1.222 1.00 0.00 N ATOM 0 H ARG A 17 5.278 8.840 -0.505 1.00 0.00 H new ATOM 0 HA ARG A 17 7.574 7.773 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.736 5.654 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.728 5.480 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.383 4.160 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.212 5.658 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.841 5.150 -0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.677 5.104 1.121 1.00 0.00 H new ATOM 0 HE ARG A 17 8.623 2.657 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.339 4.414 2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.978 2.947 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.446 0.773 0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.475 0.895 1.950 1.00 0.00 H new ATOM 223 N GLY A 18 5.993 7.638 -2.671 1.00 0.00 N ATOM 224 CA GLY A 18 6.147 7.885 -4.097 1.00 0.00 C ATOM 225 C GLY A 18 6.568 9.309 -4.411 1.00 0.00 C ATOM 226 O GLY A 18 7.054 10.028 -3.538 1.00 0.00 O ATOM 0 H GLY A 18 5.034 7.466 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.888 7.196 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.204 7.671 -4.601 1.00 0.00 H new ATOM 230 N GLN A 19 6.384 9.713 -5.668 1.00 0.00 N ATOM 231 CA GLN A 19 6.752 11.060 -6.106 1.00 0.00 C ATOM 232 C GLN A 19 5.542 11.810 -6.657 1.00 0.00 C ATOM 233 O GLN A 19 5.003 11.455 -7.705 1.00 0.00 O ATOM 234 CB GLN A 19 7.848 10.986 -7.170 1.00 0.00 C ATOM 235 CG GLN A 19 8.848 9.866 -6.934 1.00 0.00 C ATOM 236 CD GLN A 19 10.277 10.369 -6.853 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.534 11.465 -6.356 1.00 0.00 O ATOM 238 NE2 GLN A 19 11.215 9.566 -7.343 1.00 0.00 N ATOM 0 H GLN A 19 5.983 9.128 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 19 7.126 11.606 -5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.386 10.849 -8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.380 11.937 -7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.596 9.348 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.768 9.137 -7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.956 8.666 -7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.194 9.850 -7.316 1.00 0.00 H new ATOM 247 N CYS A 20 5.112 12.846 -5.940 1.00 0.00 N ATOM 248 CA CYS A 20 3.954 13.635 -6.353 1.00 0.00 C ATOM 249 C CYS A 20 4.238 14.485 -7.584 1.00 0.00 C ATOM 250 O CYS A 20 5.363 14.931 -7.808 1.00 0.00 O ATOM 251 CB CYS A 20 3.483 14.529 -5.206 1.00 0.00 C ATOM 252 SG CYS A 20 2.100 15.628 -5.646 1.00 0.00 S ATOM 0 H CYS A 20 5.547 13.158 -5.072 1.00 0.00 H new ATOM 0 HA CYS A 20 3.167 12.928 -6.616 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.182 13.900 -4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.321 15.136 -4.864 1.00 0.00 H new ATOM 257 N VAL A 21 3.188 14.710 -8.369 1.00 0.00 N ATOM 258 CA VAL A 21 3.277 15.514 -9.579 1.00 0.00 C ATOM 259 C VAL A 21 2.097 16.479 -9.663 1.00 0.00 C ATOM 260 O VAL A 21 1.098 16.314 -8.961 1.00 0.00 O ATOM 261 CB VAL A 21 3.302 14.633 -10.845 1.00 0.00 C ATOM 262 CG1 VAL A 21 3.030 15.466 -12.089 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.633 13.908 -10.960 1.00 0.00 C ATOM 0 H VAL A 21 2.256 14.341 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 21 4.210 16.075 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 21 2.511 13.888 -10.761 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.053 14.824 -12.969 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.049 15.934 -12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.793 16.238 -12.184 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.635 13.291 -11.858 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.441 14.637 -11.020 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.779 13.275 -10.085 1.00 0.00 H new ATOM 273 N ASN A 22 2.219 17.483 -10.521 1.00 0.00 N ATOM 274 CA ASN A 22 1.165 18.474 -10.692 1.00 0.00 C ATOM 275 C ASN A 22 0.319 18.173 -11.925 1.00 0.00 C ATOM 276 O ASN A 22 0.834 17.734 -12.954 1.00 0.00 O ATOM 277 CB ASN A 22 1.771 19.872 -10.807 1.00 0.00 C ATOM 278 CG ASN A 22 0.759 20.958 -10.509 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.319 21.676 -11.407 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.387 21.085 -9.242 1.00 0.00 N ATOM 0 H ASN A 22 3.038 17.633 -11.110 1.00 0.00 H new ATOM 0 HA ASN A 22 0.518 18.431 -9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.611 19.960 -10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.168 20.013 -11.812 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.291 21.801 -8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.778 20.467 -8.531 1.00 0.00 H new ATOM 287 N THR A 23 -0.982 18.415 -11.811 1.00 0.00 N ATOM 288 CA THR A 23 -1.908 18.177 -12.912 1.00 0.00 C ATOM 289 C THR A 23 -3.034 19.204 -12.908 1.00 0.00 C ATOM 290 O THR A 23 -3.482 19.643 -11.849 1.00 0.00 O ATOM 291 CB THR A 23 -2.517 16.764 -12.842 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.606 16.746 -11.912 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.469 15.745 -12.423 1.00 0.00 C ATOM 0 H THR A 23 -1.420 18.777 -10.964 1.00 0.00 H new ATOM 0 HA THR A 23 -1.335 18.269 -13.834 1.00 0.00 H new ATOM 0 HB THR A 23 -2.883 16.499 -13.834 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.447 16.899 -12.391 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.921 14.754 -12.380 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.655 15.741 -13.148 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.078 16.008 -11.440 1.00 0.00 H new ATOM 301 N PRO A 24 -3.513 19.595 -14.096 1.00 0.00 N ATOM 302 CA PRO A 24 -4.592 20.567 -14.236 1.00 0.00 C ATOM 303 C PRO A 24 -5.695 20.347 -13.209 1.00 0.00 C ATOM 304 O PRO A 24 -6.411 19.347 -13.256 1.00 0.00 O ATOM 305 CB PRO A 24 -5.120 20.329 -15.660 1.00 0.00 C ATOM 306 CG PRO A 24 -4.300 19.210 -16.231 1.00 0.00 C ATOM 307 CD PRO A 24 -3.054 19.119 -15.398 1.00 0.00 C ATOM 0 HA PRO A 24 -4.245 21.587 -14.071 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.178 20.067 -15.644 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.024 21.230 -16.266 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.854 18.271 -16.203 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.054 19.404 -17.275 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.673 18.099 -15.347 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.252 19.739 -15.798 1.00 0.00 H new ATOM 315 N GLY A 25 -5.822 21.285 -12.276 1.00 0.00 N ATOM 316 CA GLY A 25 -6.837 21.165 -11.246 1.00 0.00 C ATOM 317 C GLY A 25 -6.797 19.814 -10.569 1.00 0.00 C ATOM 318 O GLY A 25 -7.828 19.161 -10.402 1.00 0.00 O ATOM 0 H GLY A 25 -5.243 22.122 -12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.693 21.948 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.822 21.321 -11.687 1.00 0.00 H new ATOM 322 N ASP A 26 -5.599 19.389 -10.185 1.00 0.00 N ATOM 323 CA ASP A 26 -5.416 18.102 -9.529 1.00 0.00 C ATOM 324 C ASP A 26 -3.934 17.778 -9.375 1.00 0.00 C ATOM 325 O ASP A 26 -3.075 18.613 -9.653 1.00 0.00 O ATOM 326 CB ASP A 26 -6.110 17.001 -10.325 1.00 0.00 C ATOM 327 CG ASP A 26 -7.172 16.281 -9.516 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.975 16.117 -8.294 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.198 15.882 -10.105 1.00 0.00 O ATOM 0 H ASP A 26 -4.738 19.920 -10.318 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.862 18.159 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.567 17.433 -11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.367 16.280 -10.666 1.00 0.00 H new ATOM 334 N PHE A 27 -3.643 16.561 -8.929 1.00 0.00 N ATOM 335 CA PHE A 27 -2.264 16.129 -8.733 1.00 0.00 C ATOM 336 C PHE A 27 -2.179 14.611 -8.626 1.00 0.00 C ATOM 337 O PHE A 27 -3.086 13.962 -8.105 1.00 0.00 O ATOM 338 CB PHE A 27 -1.694 16.770 -7.468 1.00 0.00 C ATOM 339 CG PHE A 27 -2.140 16.097 -6.201 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.379 16.381 -5.651 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.320 15.183 -5.560 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.793 15.767 -4.486 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.729 14.564 -4.393 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.967 14.856 -3.855 1.00 0.00 C ATOM 0 H PHE A 27 -4.343 15.857 -8.696 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.679 16.446 -9.597 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.605 16.748 -7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.990 17.819 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.029 17.092 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.351 14.951 -5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.762 15.998 -4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.081 13.853 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.289 14.374 -2.944 1.00 0.00 H new ATOM 354 N GLU A 28 -1.079 14.054 -9.116 1.00 0.00 N ATOM 355 CA GLU A 28 -0.864 12.613 -9.070 1.00 0.00 C ATOM 356 C GLU A 28 0.447 12.301 -8.365 1.00 0.00 C ATOM 357 O GLU A 28 1.130 13.204 -7.881 1.00 0.00 O ATOM 358 CB GLU A 28 -0.853 12.029 -10.485 1.00 0.00 C ATOM 359 CG GLU A 28 0.025 12.802 -11.455 1.00 0.00 C ATOM 360 CD GLU A 28 -0.042 12.250 -12.866 1.00 0.00 C ATOM 361 OE1 GLU A 28 -0.715 11.218 -13.069 1.00 0.00 O ATOM 362 OE2 GLU A 28 0.579 12.851 -13.768 1.00 0.00 O ATOM 0 H GLU A 28 -0.320 14.579 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.682 12.157 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.508 10.996 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.873 12.008 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.281 13.848 -11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.057 12.775 -11.106 1.00 0.00 H new ATOM 369 N CYS A 29 0.795 11.024 -8.299 1.00 0.00 N ATOM 370 CA CYS A 29 2.025 10.617 -7.638 1.00 0.00 C ATOM 371 C CYS A 29 2.721 9.480 -8.379 1.00 0.00 C ATOM 372 O CYS A 29 2.124 8.812 -9.222 1.00 0.00 O ATOM 373 CB CYS A 29 1.727 10.201 -6.199 1.00 0.00 C ATOM 374 SG CYS A 29 2.004 11.525 -4.982 1.00 0.00 S ATOM 0 H CYS A 29 0.248 10.258 -8.692 1.00 0.00 H new ATOM 0 HA CYS A 29 2.702 11.472 -7.640 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.690 9.870 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.352 9.346 -5.941 1.00 0.00 H new ATOM 379 N LYS A 30 3.991 9.271 -8.047 1.00 0.00 N ATOM 380 CA LYS A 30 4.788 8.219 -8.664 1.00 0.00 C ATOM 381 C LYS A 30 5.086 7.121 -7.651 1.00 0.00 C ATOM 382 O LYS A 30 6.223 6.957 -7.210 1.00 0.00 O ATOM 383 CB LYS A 30 6.095 8.792 -9.215 1.00 0.00 C ATOM 384 CG LYS A 30 6.551 8.135 -10.507 1.00 0.00 C ATOM 385 CD LYS A 30 6.809 6.649 -10.315 1.00 0.00 C ATOM 386 CE LYS A 30 7.333 6.006 -11.589 1.00 0.00 C ATOM 387 NZ LYS A 30 6.920 4.580 -11.702 1.00 0.00 N ATOM 0 H LYS A 30 4.492 9.821 -7.349 1.00 0.00 H new ATOM 0 HA LYS A 30 4.218 7.793 -9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.970 9.861 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.877 8.678 -8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.792 8.277 -11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.460 8.620 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.530 6.505 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.887 6.155 -10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.965 6.560 -12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.421 6.071 -11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.297 4.178 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.292 4.046 -10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.882 4.519 -11.710 1.00 0.00 H new ATOM 401 N CYS A 31 4.049 6.382 -7.283 1.00 0.00 N ATOM 402 CA CYS A 31 4.171 5.299 -6.316 1.00 0.00 C ATOM 403 C CYS A 31 5.529 4.614 -6.410 1.00 0.00 C ATOM 404 O CYS A 31 6.094 4.472 -7.495 1.00 0.00 O ATOM 405 CB CYS A 31 3.050 4.285 -6.532 1.00 0.00 C ATOM 406 SG CYS A 31 1.387 4.973 -6.259 1.00 0.00 S ATOM 0 H CYS A 31 3.104 6.515 -7.644 1.00 0.00 H new ATOM 0 HA CYS A 31 4.087 5.726 -5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.112 3.898 -7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.200 3.440 -5.860 1.00 0.00 H new ATOM 411 N ASP A 32 6.045 4.194 -5.261 1.00 0.00 N ATOM 412 CA ASP A 32 7.337 3.523 -5.194 1.00 0.00 C ATOM 413 C ASP A 32 7.405 2.362 -6.177 1.00 0.00 C ATOM 414 O ASP A 32 8.106 2.427 -7.187 1.00 0.00 O ATOM 415 CB ASP A 32 7.592 3.019 -3.773 1.00 0.00 C ATOM 416 CG ASP A 32 9.064 2.792 -3.493 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.866 3.717 -3.743 1.00 0.00 O ATOM 418 OD2 ASP A 32 9.417 1.689 -3.025 1.00 0.00 O ATOM 0 H ASP A 32 5.585 4.307 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 32 8.108 4.244 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.197 3.741 -3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.048 2.087 -3.618 1.00 0.00 H new ATOM 423 N GLU A 33 6.676 1.298 -5.868 1.00 0.00 N ATOM 424 CA GLU A 33 6.650 0.113 -6.715 1.00 0.00 C ATOM 425 C GLU A 33 5.337 -0.642 -6.540 1.00 0.00 C ATOM 426 O GLU A 33 4.556 -0.784 -7.482 1.00 0.00 O ATOM 427 CB GLU A 33 7.842 -0.794 -6.382 1.00 0.00 C ATOM 428 CG GLU A 33 7.542 -2.281 -6.487 1.00 0.00 C ATOM 429 CD GLU A 33 8.789 -3.138 -6.389 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.825 -2.627 -5.915 1.00 0.00 O ATOM 431 OE2 GLU A 33 8.728 -4.321 -6.784 1.00 0.00 O ATOM 0 H GLU A 33 6.093 1.231 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 33 6.726 0.424 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.666 -0.553 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.180 -0.574 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.848 -2.564 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.043 -2.481 -7.435 1.00 0.00 H new ATOM 438 N GLY A 34 5.100 -1.116 -5.325 1.00 0.00 N ATOM 439 CA GLY A 34 3.885 -1.841 -5.030 1.00 0.00 C ATOM 440 C GLY A 34 2.950 -1.030 -4.168 1.00 0.00 C ATOM 441 O GLY A 34 2.176 -1.582 -3.395 1.00 0.00 O ATOM 0 H GLY A 34 5.735 -1.009 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.384 -2.107 -5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.131 -2.774 -4.523 1.00 0.00 H new ATOM 445 N TYR A 35 3.041 0.290 -4.303 1.00 0.00 N ATOM 446 CA TYR A 35 2.211 1.210 -3.535 1.00 0.00 C ATOM 447 C TYR A 35 1.010 1.671 -4.357 1.00 0.00 C ATOM 448 O TYR A 35 1.017 1.578 -5.584 1.00 0.00 O ATOM 449 CB TYR A 35 3.048 2.416 -3.106 1.00 0.00 C ATOM 450 CG TYR A 35 4.075 2.100 -2.038 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.454 0.788 -1.777 1.00 0.00 C ATOM 452 CD2 TYR A 35 4.664 3.113 -1.293 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.392 0.498 -0.803 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.602 2.829 -0.319 1.00 0.00 C ATOM 455 CZ TYR A 35 5.962 1.522 -0.078 1.00 0.00 C ATOM 456 OH TYR A 35 6.895 1.236 0.892 1.00 0.00 O ATOM 0 H TYR A 35 3.688 0.749 -4.944 1.00 0.00 H new ATOM 0 HA TYR A 35 1.839 0.692 -2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.559 2.821 -3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.382 3.196 -2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.009 -0.017 -2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.384 4.140 -1.478 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.676 -0.526 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.051 3.629 0.251 1.00 0.00 H new ATOM 0 HH TYR A 35 7.382 0.422 0.647 1.00 0.00 H new ATOM 466 N GLU A 36 -0.026 2.163 -3.678 1.00 0.00 N ATOM 467 CA GLU A 36 -1.231 2.628 -4.361 1.00 0.00 C ATOM 468 C GLU A 36 -1.490 4.108 -4.081 1.00 0.00 C ATOM 469 O GLU A 36 -1.473 4.548 -2.932 1.00 0.00 O ATOM 470 CB GLU A 36 -2.440 1.768 -3.953 1.00 0.00 C ATOM 471 CG GLU A 36 -3.660 2.553 -3.483 1.00 0.00 C ATOM 472 CD GLU A 36 -4.493 3.078 -4.636 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.638 2.354 -5.642 1.00 0.00 O ATOM 474 OE2 GLU A 36 -5.001 4.215 -4.532 1.00 0.00 O ATOM 0 H GLU A 36 -0.055 2.249 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.078 2.521 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.730 1.149 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.133 1.091 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.279 1.914 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.334 3.389 -2.865 1.00 0.00 H new ATOM 481 N SER A 37 -1.740 4.861 -5.145 1.00 0.00 N ATOM 482 CA SER A 37 -2.011 6.285 -5.041 1.00 0.00 C ATOM 483 C SER A 37 -3.476 6.533 -4.698 1.00 0.00 C ATOM 484 O SER A 37 -4.331 6.582 -5.583 1.00 0.00 O ATOM 485 CB SER A 37 -1.661 6.983 -6.357 1.00 0.00 C ATOM 486 OG SER A 37 -2.595 8.006 -6.656 1.00 0.00 O ATOM 0 H SER A 37 -1.760 4.502 -6.099 1.00 0.00 H new ATOM 0 HA SER A 37 -1.394 6.694 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.660 7.408 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.645 6.253 -7.166 1.00 0.00 H new ATOM 0 HG SER A 37 -3.481 7.610 -6.795 1.00 0.00 H new ATOM 492 N GLY A 38 -3.759 6.688 -3.411 1.00 0.00 N ATOM 493 CA GLY A 38 -5.120 6.927 -2.979 1.00 0.00 C ATOM 494 C GLY A 38 -5.734 5.718 -2.312 1.00 0.00 C ATOM 495 O GLY A 38 -6.890 5.378 -2.566 1.00 0.00 O ATOM 0 H GLY A 38 -3.070 6.652 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.136 7.768 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.727 7.211 -3.839 1.00 0.00 H new ATOM 499 N PHE A 39 -4.961 5.069 -1.454 1.00 0.00 N ATOM 500 CA PHE A 39 -5.436 3.892 -0.744 1.00 0.00 C ATOM 501 C PHE A 39 -6.829 4.140 -0.180 1.00 0.00 C ATOM 502 O PHE A 39 -7.644 3.222 -0.087 1.00 0.00 O ATOM 503 CB PHE A 39 -4.468 3.523 0.380 1.00 0.00 C ATOM 504 CG PHE A 39 -4.871 2.292 1.140 1.00 0.00 C ATOM 505 CD1 PHE A 39 -5.208 1.127 0.470 1.00 0.00 C ATOM 506 CD2 PHE A 39 -4.913 2.300 2.525 1.00 0.00 C ATOM 507 CE1 PHE A 39 -5.579 -0.008 1.167 1.00 0.00 C ATOM 508 CE2 PHE A 39 -5.283 1.169 3.228 1.00 0.00 C ATOM 509 CZ PHE A 39 -5.617 0.013 2.547 1.00 0.00 C ATOM 0 H PHE A 39 -4.002 5.338 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.488 3.060 -1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.475 3.370 -0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.394 4.360 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.181 1.105 -0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.654 3.201 3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.839 -0.910 0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.311 1.188 4.307 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.907 -0.872 3.094 1.00 0.00 H new ATOM 519 N MET A 40 -7.093 5.390 0.189 1.00 0.00 N ATOM 520 CA MET A 40 -8.388 5.774 0.739 1.00 0.00 C ATOM 521 C MET A 40 -8.267 7.023 1.603 1.00 0.00 C ATOM 522 O MET A 40 -9.208 7.809 1.710 1.00 0.00 O ATOM 523 CB MET A 40 -8.976 4.638 1.573 1.00 0.00 C ATOM 524 CG MET A 40 -7.940 3.878 2.384 1.00 0.00 C ATOM 525 SD MET A 40 -8.218 4.008 4.162 1.00 0.00 S ATOM 526 CE MET A 40 -8.900 2.391 4.517 1.00 0.00 C ATOM 0 H MET A 40 -6.424 6.157 0.116 1.00 0.00 H new ATOM 0 HA MET A 40 -9.051 5.987 -0.099 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.726 5.046 2.250 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.490 3.941 0.911 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.956 2.828 2.093 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.947 4.259 2.147 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.124 2.316 5.581 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.815 2.248 3.942 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.176 1.623 4.244 1.00 0.00 H new ATOM 536 N MET A 41 -7.107 7.195 2.225 1.00 0.00 N ATOM 537 CA MET A 41 -6.872 8.346 3.086 1.00 0.00 C ATOM 538 C MET A 41 -7.115 9.649 2.334 1.00 0.00 C ATOM 539 O MET A 41 -7.748 10.568 2.855 1.00 0.00 O ATOM 540 CB MET A 41 -5.449 8.314 3.651 1.00 0.00 C ATOM 541 CG MET A 41 -4.367 8.590 2.619 1.00 0.00 C ATOM 542 SD MET A 41 -3.974 10.344 2.482 1.00 0.00 S ATOM 543 CE MET A 41 -2.970 10.582 3.945 1.00 0.00 C ATOM 0 H MET A 41 -6.317 6.554 2.149 1.00 0.00 H new ATOM 0 HA MET A 41 -7.577 8.295 3.916 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.370 9.050 4.451 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.269 7.337 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.465 8.039 2.886 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.692 8.217 1.648 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.231 11.530 4.415 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.151 9.768 4.647 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.917 10.593 3.665 1.00 0.00 H new ATOM 553 N MET A 42 -6.615 9.714 1.105 1.00 0.00 N ATOM 554 CA MET A 42 -6.777 10.900 0.269 1.00 0.00 C ATOM 555 C MET A 42 -5.932 10.793 -1.001 1.00 0.00 C ATOM 556 O MET A 42 -6.374 11.168 -2.087 1.00 0.00 O ATOM 557 CB MET A 42 -6.415 12.164 1.067 1.00 0.00 C ATOM 558 CG MET A 42 -5.090 12.795 0.676 1.00 0.00 C ATOM 559 SD MET A 42 -4.361 13.766 2.008 1.00 0.00 S ATOM 560 CE MET A 42 -5.292 15.289 1.867 1.00 0.00 C ATOM 0 H MET A 42 -6.092 8.957 0.664 1.00 0.00 H new ATOM 0 HA MET A 42 -7.822 10.970 -0.034 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.207 12.901 0.936 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.385 11.913 2.127 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.393 12.011 0.380 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.240 13.434 -0.194 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.955 15.993 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.136 15.720 0.878 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.353 15.082 2.010 1.00 0.00 H new ATOM 570 N LYS A 43 -4.715 10.280 -0.851 1.00 0.00 N ATOM 571 CA LYS A 43 -3.795 10.121 -1.972 1.00 0.00 C ATOM 572 C LYS A 43 -2.353 10.065 -1.478 1.00 0.00 C ATOM 573 O LYS A 43 -1.666 11.085 -1.413 1.00 0.00 O ATOM 574 CB LYS A 43 -3.965 11.267 -2.975 1.00 0.00 C ATOM 575 CG LYS A 43 -2.810 11.398 -3.958 1.00 0.00 C ATOM 576 CD LYS A 43 -2.567 10.103 -4.719 1.00 0.00 C ATOM 577 CE LYS A 43 -1.386 9.329 -4.157 1.00 0.00 C ATOM 578 NZ LYS A 43 -0.295 10.228 -3.692 1.00 0.00 N ATOM 0 H LYS A 43 -4.341 9.965 0.044 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.028 9.182 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.889 11.116 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.073 12.204 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.023 12.200 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.905 11.679 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.462 9.482 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.387 10.328 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.722 8.709 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.998 8.655 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.596 9.694 -3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.186 11.017 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.531 10.603 -2.751 1.00 0.00 H new ATOM 592 N ASN A 44 -1.899 8.863 -1.135 1.00 0.00 N ATOM 593 CA ASN A 44 -0.543 8.662 -0.655 1.00 0.00 C ATOM 594 C ASN A 44 -0.041 7.273 -1.043 1.00 0.00 C ATOM 595 O ASN A 44 -0.281 6.289 -0.343 1.00 0.00 O ATOM 596 CB ASN A 44 -0.469 8.867 0.863 1.00 0.00 C ATOM 597 CG ASN A 44 -0.992 7.680 1.652 1.00 0.00 C ATOM 598 OD1 ASN A 44 -2.191 7.222 1.314 1.00 0.00 O flip ATOM 599 ND2 ASN A 44 -0.323 7.179 2.556 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.458 8.011 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 44 0.104 9.403 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.566 9.057 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.042 9.755 1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.594 7.562 2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.686 6.381 3.077 1.00 0.00 H new ATOM 606 N CYS A 45 0.649 7.202 -2.175 1.00 0.00 N ATOM 607 CA CYS A 45 1.177 5.941 -2.670 1.00 0.00 C ATOM 608 C CYS A 45 1.644 5.055 -1.523 1.00 0.00 C ATOM 609 O CYS A 45 2.707 5.276 -0.944 1.00 0.00 O ATOM 610 CB CYS A 45 2.321 6.198 -3.648 1.00 0.00 C ATOM 611 SG CYS A 45 1.762 6.724 -5.302 1.00 0.00 S ATOM 0 H CYS A 45 0.855 8.006 -2.767 1.00 0.00 H new ATOM 0 HA CYS A 45 0.377 5.417 -3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.976 6.964 -3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.915 5.289 -3.746 1.00 0.00 H new ATOM 616 N MET A 46 0.831 4.054 -1.196 1.00 0.00 N ATOM 617 CA MET A 46 1.148 3.131 -0.114 1.00 0.00 C ATOM 618 C MET A 46 0.927 1.687 -0.553 1.00 0.00 C ATOM 619 O MET A 46 -0.114 1.359 -1.123 1.00 0.00 O ATOM 620 CB MET A 46 0.288 3.445 1.112 1.00 0.00 C ATOM 621 CG MET A 46 -1.202 3.480 0.817 1.00 0.00 C ATOM 622 SD MET A 46 -2.193 3.811 2.286 1.00 0.00 S ATOM 623 CE MET A 46 -1.111 3.188 3.571 1.00 0.00 C ATOM 0 H MET A 46 -0.053 3.863 -1.667 1.00 0.00 H new ATOM 0 HA MET A 46 2.199 3.254 0.147 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.480 2.697 1.881 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.592 4.409 1.521 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.402 4.246 0.068 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.506 2.526 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.645 3.174 4.521 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.792 2.177 3.319 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.237 3.834 3.656 1.00 0.00 H new ATOM 633 N ASP A 47 1.925 0.839 -0.290 1.00 0.00 N ATOM 634 CA ASP A 47 1.881 -0.577 -0.653 1.00 0.00 C ATOM 635 C ASP A 47 0.462 -1.065 -0.936 1.00 0.00 C ATOM 636 O ASP A 47 -0.320 -1.326 -0.022 1.00 0.00 O ATOM 637 CB ASP A 47 2.519 -1.428 0.448 1.00 0.00 C ATOM 638 CG ASP A 47 1.601 -1.633 1.636 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.560 -0.746 2.515 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.922 -2.679 1.688 1.00 0.00 O ATOM 0 H ASP A 47 2.786 1.117 0.181 1.00 0.00 H new ATOM 0 HA ASP A 47 2.450 -0.686 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.796 -2.399 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.439 -0.950 0.784 1.00 0.00 H new ATOM 645 N ILE A 48 0.148 -1.188 -2.219 1.00 0.00 N ATOM 646 CA ILE A 48 -1.159 -1.648 -2.664 1.00 0.00 C ATOM 647 C ILE A 48 -1.569 -2.929 -1.948 1.00 0.00 C ATOM 648 O ILE A 48 -0.881 -3.394 -1.039 1.00 0.00 O ATOM 649 CB ILE A 48 -1.153 -1.913 -4.180 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.010 -2.862 -4.543 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.017 -0.609 -4.946 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.343 -3.798 -5.681 1.00 0.00 C ATOM 0 H ILE A 48 0.792 -0.972 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.874 -0.860 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.099 -2.379 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.868 -2.275 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.256 -3.450 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.014 -0.814 -6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.855 0.044 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.084 -0.120 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.513 -4.442 -5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.202 -4.411 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.580 -3.217 -6.572 1.00 0.00 H new ATOM 664 N ASP A 49 -2.688 -3.502 -2.376 1.00 0.00 N ATOM 665 CA ASP A 49 -3.187 -4.738 -1.788 1.00 0.00 C ATOM 666 C ASP A 49 -2.845 -5.925 -2.679 1.00 0.00 C ATOM 667 O ASP A 49 -3.716 -6.490 -3.338 1.00 0.00 O ATOM 668 CB ASP A 49 -4.700 -4.666 -1.580 1.00 0.00 C ATOM 669 CG ASP A 49 -5.247 -5.923 -0.931 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.531 -6.948 -0.927 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.390 -5.883 -0.429 1.00 0.00 O ATOM 0 H ASP A 49 -3.267 -3.130 -3.129 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.707 -4.870 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.939 -3.804 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.191 -4.512 -2.541 1.00 0.00 H new ATOM 676 N GLU A 50 -1.570 -6.292 -2.699 1.00 0.00 N ATOM 677 CA GLU A 50 -1.108 -7.407 -3.510 1.00 0.00 C ATOM 678 C GLU A 50 -1.985 -8.638 -3.307 1.00 0.00 C ATOM 679 O GLU A 50 -2.069 -9.502 -4.179 1.00 0.00 O ATOM 680 CB GLU A 50 0.338 -7.740 -3.159 1.00 0.00 C ATOM 681 CG GLU A 50 1.346 -6.742 -3.705 1.00 0.00 C ATOM 682 CD GLU A 50 1.844 -5.780 -2.643 1.00 0.00 C ATOM 683 OE1 GLU A 50 2.219 -6.249 -1.547 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.858 -4.560 -2.906 1.00 0.00 O ATOM 0 H GLU A 50 -0.837 -5.831 -2.160 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.171 -7.113 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.438 -7.787 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.577 -8.731 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.193 -7.281 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.889 -6.177 -4.517 1.00 0.00 H new ATOM 691 N CYS A 51 -2.635 -8.713 -2.151 1.00 0.00 N ATOM 692 CA CYS A 51 -3.505 -9.841 -1.839 1.00 0.00 C ATOM 693 C CYS A 51 -4.821 -9.734 -2.600 1.00 0.00 C ATOM 694 O CYS A 51 -5.619 -10.671 -2.621 1.00 0.00 O ATOM 695 CB CYS A 51 -3.775 -9.904 -0.334 1.00 0.00 C ATOM 696 SG CYS A 51 -4.978 -11.183 0.154 1.00 0.00 S ATOM 0 H CYS A 51 -2.576 -8.008 -1.416 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.999 -10.756 -2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.835 -10.088 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.139 -8.932 -0.000 1.00 0.00 H new ATOM 701 N GLN A 52 -5.040 -8.581 -3.221 1.00 0.00 N ATOM 702 CA GLN A 52 -6.255 -8.335 -3.984 1.00 0.00 C ATOM 703 C GLN A 52 -5.931 -8.061 -5.448 1.00 0.00 C ATOM 704 O GLN A 52 -6.773 -8.244 -6.327 1.00 0.00 O ATOM 705 CB GLN A 52 -7.010 -7.149 -3.386 1.00 0.00 C ATOM 706 CG GLN A 52 -8.005 -7.544 -2.311 1.00 0.00 C ATOM 707 CD GLN A 52 -9.233 -6.654 -2.295 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.357 -7.129 -2.136 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.023 -5.354 -2.461 1.00 0.00 N ATOM 0 H GLN A 52 -4.387 -7.798 -3.210 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.881 -9.226 -3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.291 -6.447 -2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.537 -6.625 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.313 -8.578 -2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.518 -7.501 -1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.074 -5.003 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.811 -4.706 -2.460 1.00 0.00 H new ATOM 718 N ARG A 53 -4.705 -7.618 -5.702 1.00 0.00 N ATOM 719 CA ARG A 53 -4.263 -7.313 -7.057 1.00 0.00 C ATOM 720 C ARG A 53 -4.437 -8.518 -7.975 1.00 0.00 C ATOM 721 O ARG A 53 -4.493 -8.378 -9.197 1.00 0.00 O ATOM 722 CB ARG A 53 -2.798 -6.873 -7.049 1.00 0.00 C ATOM 723 CG ARG A 53 -2.201 -6.718 -8.437 1.00 0.00 C ATOM 724 CD ARG A 53 -1.403 -7.947 -8.837 1.00 0.00 C ATOM 725 NE ARG A 53 -1.441 -8.179 -10.279 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.487 -8.819 -10.946 1.00 0.00 C ATOM 727 NH1 ARG A 53 0.575 -9.289 -10.305 1.00 0.00 N ATOM 728 NH2 ARG A 53 -0.593 -8.991 -12.257 1.00 0.00 N ATOM 0 H ARG A 53 -3.997 -7.462 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.881 -6.499 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.715 -5.924 -6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.212 -7.602 -6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.998 -6.548 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.556 -5.840 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.368 -7.827 -8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.799 -8.821 -8.319 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.244 -7.830 -10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.661 -9.159 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.306 -9.780 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.408 -8.632 -12.754 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.140 -9.483 -12.768 1.00 0.00 H new ATOM 742 N ASP A 54 -4.520 -9.704 -7.380 1.00 0.00 N ATOM 743 CA ASP A 54 -4.685 -10.932 -8.148 1.00 0.00 C ATOM 744 C ASP A 54 -5.850 -11.758 -7.614 1.00 0.00 C ATOM 745 O ASP A 54 -6.043 -11.876 -6.405 1.00 0.00 O ATOM 746 CB ASP A 54 -3.399 -11.759 -8.109 1.00 0.00 C ATOM 747 CG ASP A 54 -2.740 -11.868 -9.470 1.00 0.00 C ATOM 748 OD1 ASP A 54 -3.471 -11.983 -10.476 1.00 0.00 O ATOM 749 OD2 ASP A 54 -1.492 -11.838 -9.530 1.00 0.00 O ATOM 0 H ASP A 54 -4.476 -9.840 -6.370 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.902 -10.657 -9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.700 -11.306 -7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.624 -12.758 -7.736 1.00 0.00 H new ATOM 754 N PRO A 55 -6.642 -12.344 -8.523 1.00 0.00 N ATOM 755 CA PRO A 55 -7.794 -13.168 -8.160 1.00 0.00 C ATOM 756 C PRO A 55 -7.386 -14.585 -7.775 1.00 0.00 C ATOM 757 O PRO A 55 -8.214 -15.387 -7.342 1.00 0.00 O ATOM 758 CB PRO A 55 -8.621 -13.178 -9.443 1.00 0.00 C ATOM 759 CG PRO A 55 -7.615 -13.056 -10.538 1.00 0.00 C ATOM 760 CD PRO A 55 -6.470 -12.249 -9.983 1.00 0.00 C ATOM 0 HA PRO A 55 -8.327 -12.781 -7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.199 -14.098 -9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.332 -12.352 -9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.274 -14.039 -10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.048 -12.565 -11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.508 -12.652 -10.299 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.509 -11.214 -10.323 1.00 0.00 H new ATOM 768 N LEU A 56 -6.100 -14.881 -7.931 1.00 0.00 N ATOM 769 CA LEU A 56 -5.568 -16.194 -7.597 1.00 0.00 C ATOM 770 C LEU A 56 -4.472 -16.077 -6.544 1.00 0.00 C ATOM 771 O LEU A 56 -3.997 -17.079 -6.011 1.00 0.00 O ATOM 772 CB LEU A 56 -5.018 -16.878 -8.849 1.00 0.00 C ATOM 773 CG LEU A 56 -5.820 -18.090 -9.325 1.00 0.00 C ATOM 774 CD1 LEU A 56 -6.282 -18.925 -8.141 1.00 0.00 C ATOM 775 CD2 LEU A 56 -7.009 -17.646 -10.164 1.00 0.00 C ATOM 0 H LEU A 56 -5.405 -14.225 -8.288 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.379 -16.798 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.978 -16.147 -9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.993 -17.193 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.172 -18.708 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.851 -19.783 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.414 -19.274 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.913 -18.318 -7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.568 -18.521 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.657 -17.005 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.654 -17.093 -11.034 1.00 0.00 H new ATOM 787 N LEU A 57 -4.074 -14.842 -6.248 1.00 0.00 N ATOM 788 CA LEU A 57 -3.036 -14.591 -5.257 1.00 0.00 C ATOM 789 C LEU A 57 -3.352 -15.304 -3.952 1.00 0.00 C ATOM 790 O LEU A 57 -4.362 -15.023 -3.306 1.00 0.00 O ATOM 791 CB LEU A 57 -2.892 -13.090 -5.014 1.00 0.00 C ATOM 792 CG LEU A 57 -1.495 -12.639 -4.584 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.021 -11.479 -5.445 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.492 -12.252 -3.114 1.00 0.00 C ATOM 0 H LEU A 57 -4.456 -14.001 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.094 -14.981 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.164 -12.561 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.607 -12.790 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.805 -13.471 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.026 -11.171 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.986 -11.791 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.711 -10.642 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.491 -11.933 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.194 -11.434 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.789 -13.110 -2.511 1.00 0.00 H new ATOM 806 N CYS A 58 -2.485 -16.236 -3.572 1.00 0.00 N ATOM 807 CA CYS A 58 -2.679 -16.994 -2.345 1.00 0.00 C ATOM 808 C CYS A 58 -4.099 -17.542 -2.289 1.00 0.00 C ATOM 809 O CYS A 58 -4.631 -17.826 -1.216 1.00 0.00 O ATOM 810 CB CYS A 58 -2.393 -16.111 -1.131 1.00 0.00 C ATOM 811 SG CYS A 58 -0.733 -15.362 -1.152 1.00 0.00 S ATOM 0 H CYS A 58 -1.645 -16.483 -4.095 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.984 -17.833 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.140 -15.318 -1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.503 -16.706 -0.225 1.00 0.00 H new ATOM 816 N ARG A 59 -4.703 -17.689 -3.465 1.00 0.00 N ATOM 817 CA ARG A 59 -6.060 -18.205 -3.579 1.00 0.00 C ATOM 818 C ARG A 59 -6.243 -19.440 -2.705 1.00 0.00 C ATOM 819 O ARG A 59 -7.321 -19.673 -2.155 1.00 0.00 O ATOM 820 CB ARG A 59 -6.368 -18.539 -5.039 1.00 0.00 C ATOM 821 CG ARG A 59 -7.853 -18.636 -5.345 1.00 0.00 C ATOM 822 CD ARG A 59 -8.228 -20.017 -5.861 1.00 0.00 C ATOM 823 NE ARG A 59 -9.651 -20.117 -6.170 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.238 -21.238 -6.579 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.525 -22.345 -6.728 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.538 -21.250 -6.840 1.00 0.00 N ATOM 0 H ARG A 59 -4.268 -17.455 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.754 -17.438 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.924 -17.776 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.891 -19.485 -5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.426 -18.415 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.122 -17.884 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.646 -20.240 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.965 -20.767 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.227 -19.281 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.525 -22.338 -6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.977 -23.204 -7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.089 -20.399 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.987 -22.110 -7.154 1.00 0.00 H new ATOM 840 N GLY A 60 -5.180 -20.226 -2.576 1.00 0.00 N ATOM 841 CA GLY A 60 -5.236 -21.427 -1.764 1.00 0.00 C ATOM 842 C GLY A 60 -4.226 -21.398 -0.634 1.00 0.00 C ATOM 843 O GLY A 60 -3.987 -22.412 0.023 1.00 0.00 O ATOM 0 H GLY A 60 -4.279 -20.052 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.239 -21.539 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.051 -22.298 -2.393 1.00 0.00 H new ATOM 847 N GLY A 61 -3.631 -20.230 -0.410 1.00 0.00 N ATOM 848 CA GLY A 61 -2.645 -20.087 0.643 1.00 0.00 C ATOM 849 C GLY A 61 -2.886 -18.857 1.499 1.00 0.00 C ATOM 850 O GLY A 61 -4.027 -18.545 1.840 1.00 0.00 O ATOM 0 H GLY A 61 -3.816 -19.379 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.661 -20.975 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.651 -20.029 0.200 1.00 0.00 H new ATOM 854 N VAL A 62 -1.809 -18.156 1.842 1.00 0.00 N ATOM 855 CA VAL A 62 -1.909 -16.952 2.661 1.00 0.00 C ATOM 856 C VAL A 62 -1.217 -15.775 1.983 1.00 0.00 C ATOM 857 O VAL A 62 -0.111 -15.910 1.461 1.00 0.00 O ATOM 858 CB VAL A 62 -1.289 -17.167 4.054 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.148 -15.842 4.788 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.123 -18.148 4.865 1.00 0.00 C ATOM 0 H VAL A 62 -0.858 -18.401 1.566 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.970 -16.731 2.777 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.293 -17.592 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.708 -16.015 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.504 -15.175 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.131 -15.385 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.669 -18.287 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.133 -17.755 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.165 -19.105 4.346 1.00 0.00 H new ATOM 870 N CYS A 63 -1.877 -14.621 1.991 1.00 0.00 N ATOM 871 CA CYS A 63 -1.324 -13.422 1.372 1.00 0.00 C ATOM 872 C CYS A 63 -0.770 -12.463 2.418 1.00 0.00 C ATOM 873 O CYS A 63 -1.515 -11.705 3.040 1.00 0.00 O ATOM 874 CB CYS A 63 -2.391 -12.719 0.532 1.00 0.00 C ATOM 875 SG CYS A 63 -3.936 -12.366 1.432 1.00 0.00 S ATOM 0 H CYS A 63 -2.794 -14.491 2.419 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.502 -13.730 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.981 -11.782 0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.622 -13.338 -0.335 1.00 0.00 H new ATOM 880 N HIS A 64 0.546 -12.496 2.599 1.00 0.00 N ATOM 881 CA HIS A 64 1.209 -11.623 3.561 1.00 0.00 C ATOM 882 C HIS A 64 1.615 -10.312 2.896 1.00 0.00 C ATOM 883 O HIS A 64 2.795 -9.970 2.840 1.00 0.00 O ATOM 884 CB HIS A 64 2.440 -12.316 4.149 1.00 0.00 C ATOM 885 CG HIS A 64 2.128 -13.607 4.839 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.488 -14.839 4.333 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.486 -13.856 6.006 1.00 0.00 C ATOM 888 CE1 HIS A 64 2.079 -15.788 5.156 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.470 -15.218 6.179 1.00 0.00 N ATOM 0 H HIS A 64 1.175 -13.118 2.092 1.00 0.00 H new ATOM 0 HA HIS A 64 0.510 -11.405 4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.157 -12.505 3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.922 -11.642 4.857 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.992 -14.993 3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.065 -13.120 6.675 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.219 -16.850 5.016 1.00 0.00 H new ATOM 898 N ASN A 65 0.624 -9.590 2.386 1.00 0.00 N ATOM 899 CA ASN A 65 0.866 -8.320 1.712 1.00 0.00 C ATOM 900 C ASN A 65 1.855 -7.458 2.490 1.00 0.00 C ATOM 901 O ASN A 65 1.541 -6.952 3.569 1.00 0.00 O ATOM 902 CB ASN A 65 -0.448 -7.562 1.527 1.00 0.00 C ATOM 903 CG ASN A 65 -0.229 -6.115 1.127 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.506 -5.381 1.787 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.867 -5.699 0.040 1.00 0.00 N ATOM 0 H ASN A 65 -0.358 -9.864 2.427 1.00 0.00 H new ATOM 0 HA ASN A 65 1.299 -8.538 0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.048 -8.060 0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.019 -7.597 2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.758 -4.736 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.467 -6.342 -0.477 1.00 0.00 H new ATOM 912 N THR A 66 3.047 -7.288 1.929 1.00 0.00 N ATOM 913 CA THR A 66 4.084 -6.480 2.559 1.00 0.00 C ATOM 914 C THR A 66 4.305 -5.187 1.782 1.00 0.00 C ATOM 915 O THR A 66 3.631 -4.928 0.785 1.00 0.00 O ATOM 916 CB THR A 66 5.416 -7.246 2.652 1.00 0.00 C ATOM 917 OG1 THR A 66 6.215 -6.983 1.493 1.00 0.00 O ATOM 918 CG2 THR A 66 5.172 -8.743 2.776 1.00 0.00 C ATOM 0 H THR A 66 3.319 -7.700 1.037 1.00 0.00 H new ATOM 0 HA THR A 66 3.742 -6.247 3.567 1.00 0.00 H new ATOM 0 HB THR A 66 5.944 -6.904 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.639 -6.942 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.128 -9.263 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.589 -8.943 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.625 -9.096 1.902 1.00 0.00 H new ATOM 926 N GLU A 67 5.252 -4.376 2.242 1.00 0.00 N ATOM 927 CA GLU A 67 5.556 -3.111 1.584 1.00 0.00 C ATOM 928 C GLU A 67 6.430 -3.335 0.352 1.00 0.00 C ATOM 929 O GLU A 67 7.544 -3.849 0.454 1.00 0.00 O ATOM 930 CB GLU A 67 6.252 -2.157 2.559 1.00 0.00 C ATOM 931 CG GLU A 67 7.765 -2.296 2.577 1.00 0.00 C ATOM 932 CD GLU A 67 8.408 -1.537 3.721 1.00 0.00 C ATOM 933 OE1 GLU A 67 7.993 -1.748 4.880 1.00 0.00 O ATOM 934 OE2 GLU A 67 9.325 -0.731 3.458 1.00 0.00 O ATOM 0 H GLU A 67 5.821 -4.572 3.066 1.00 0.00 H new ATOM 0 HA GLU A 67 4.617 -2.662 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.994 -1.131 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.868 -2.335 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.028 -3.351 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.170 -1.934 1.632 1.00 0.00 H new ATOM 941 N GLY A 68 5.917 -2.946 -0.811 1.00 0.00 N ATOM 942 CA GLY A 68 6.664 -3.113 -2.043 1.00 0.00 C ATOM 943 C GLY A 68 6.715 -4.559 -2.498 1.00 0.00 C ATOM 944 O GLY A 68 7.648 -4.967 -3.190 1.00 0.00 O ATOM 0 H GLY A 68 4.998 -2.518 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.210 -2.505 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.680 -2.744 -1.902 1.00 0.00 H new ATOM 948 N SER A 69 5.709 -5.333 -2.107 1.00 0.00 N ATOM 949 CA SER A 69 5.637 -6.743 -2.474 1.00 0.00 C ATOM 950 C SER A 69 4.736 -7.506 -1.510 1.00 0.00 C ATOM 951 O SER A 69 4.215 -6.936 -0.551 1.00 0.00 O ATOM 952 CB SER A 69 7.035 -7.364 -2.482 1.00 0.00 C ATOM 953 OG SER A 69 6.966 -8.779 -2.456 1.00 0.00 O ATOM 0 H SER A 69 4.930 -5.007 -1.535 1.00 0.00 H new ATOM 0 HA SER A 69 5.213 -6.811 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.575 -7.040 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.599 -7.009 -1.620 1.00 0.00 H new ATOM 0 HG SER A 69 7.873 -9.151 -2.463 1.00 0.00 H new ATOM 959 N TYR A 70 4.554 -8.797 -1.769 1.00 0.00 N ATOM 960 CA TYR A 70 3.712 -9.630 -0.919 1.00 0.00 C ATOM 961 C TYR A 70 4.274 -11.041 -0.805 1.00 0.00 C ATOM 962 O TYR A 70 4.922 -11.540 -1.726 1.00 0.00 O ATOM 963 CB TYR A 70 2.283 -9.666 -1.460 1.00 0.00 C ATOM 964 CG TYR A 70 2.082 -10.628 -2.608 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.338 -10.239 -3.916 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.629 -11.921 -2.384 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.148 -11.113 -4.969 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.437 -12.802 -3.432 1.00 0.00 C ATOM 969 CZ TYR A 70 1.699 -12.392 -4.722 1.00 0.00 C ATOM 970 OH TYR A 70 1.509 -13.266 -5.769 1.00 0.00 O ATOM 0 H TYR A 70 4.977 -9.287 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 70 3.699 -9.192 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.606 -9.937 -0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.004 -8.664 -1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.691 -9.238 -4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.423 -12.244 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.350 -10.795 -5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.084 -13.805 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 70 1.425 -14.179 -5.422 1.00 0.00 H new ATOM 980 N ARG A 71 4.029 -11.676 0.336 1.00 0.00 N ATOM 981 CA ARG A 71 4.519 -13.027 0.578 1.00 0.00 C ATOM 982 C ARG A 71 3.377 -14.037 0.609 1.00 0.00 C ATOM 983 O ARG A 71 2.530 -14.010 1.502 1.00 0.00 O ATOM 984 CB ARG A 71 5.293 -13.079 1.896 1.00 0.00 C ATOM 985 CG ARG A 71 5.723 -11.713 2.403 1.00 0.00 C ATOM 986 CD ARG A 71 6.948 -11.202 1.661 1.00 0.00 C ATOM 987 NE ARG A 71 8.036 -10.858 2.571 1.00 0.00 N ATOM 988 CZ ARG A 71 9.158 -10.260 2.184 1.00 0.00 C ATOM 989 NH1 ARG A 71 9.337 -9.944 0.909 1.00 0.00 N ATOM 990 NH2 ARG A 71 10.102 -9.979 3.071 1.00 0.00 N ATOM 0 H ARG A 71 3.494 -11.277 1.107 1.00 0.00 H new ATOM 0 HA ARG A 71 5.184 -13.292 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.673 -13.560 2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.177 -13.703 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.903 -11.005 2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.941 -11.772 3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.290 -11.963 0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.676 -10.325 1.074 1.00 0.00 H new ATOM 0 HE ARG A 71 7.929 -11.089 3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.613 -10.160 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.199 -9.485 0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.968 -10.222 4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.962 -9.520 2.772 1.00 0.00 H new ATOM 1004 N CYS A 72 3.371 -14.937 -0.369 1.00 0.00 N ATOM 1005 CA CYS A 72 2.346 -15.970 -0.457 1.00 0.00 C ATOM 1006 C CYS A 72 2.793 -17.214 0.311 1.00 0.00 C ATOM 1007 O CYS A 72 3.947 -17.628 0.215 1.00 0.00 O ATOM 1008 CB CYS A 72 2.079 -16.310 -1.928 1.00 0.00 C ATOM 1009 SG CYS A 72 0.328 -16.610 -2.353 1.00 0.00 S ATOM 0 H CYS A 72 4.067 -14.971 -1.114 1.00 0.00 H new ATOM 0 HA CYS A 72 1.422 -15.602 -0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.451 -15.493 -2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.657 -17.197 -2.190 1.00 0.00 H new ATOM 1014 N GLU A 73 1.883 -17.794 1.093 1.00 0.00 N ATOM 1015 CA GLU A 73 2.209 -18.972 1.892 1.00 0.00 C ATOM 1016 C GLU A 73 1.157 -20.073 1.745 1.00 0.00 C ATOM 1017 O GLU A 73 -0.004 -19.886 2.106 1.00 0.00 O ATOM 1018 CB GLU A 73 2.339 -18.573 3.366 1.00 0.00 C ATOM 1019 CG GLU A 73 3.090 -19.583 4.217 1.00 0.00 C ATOM 1020 CD GLU A 73 3.576 -18.995 5.526 1.00 0.00 C ATOM 1021 OE1 GLU A 73 2.760 -18.882 6.465 1.00 0.00 O ATOM 1022 OE2 GLU A 73 4.772 -18.645 5.613 1.00 0.00 O ATOM 0 H GLU A 73 0.921 -17.469 1.189 1.00 0.00 H new ATOM 0 HA GLU A 73 3.156 -19.370 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.849 -17.611 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.342 -18.433 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.440 -20.433 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.943 -19.963 3.655 1.00 0.00 H new ATOM 1029 N CYS A 74 1.578 -21.222 1.223 1.00 0.00 N ATOM 1030 CA CYS A 74 0.678 -22.354 1.042 1.00 0.00 C ATOM 1031 C CYS A 74 0.421 -23.095 2.361 1.00 0.00 C ATOM 1032 O CYS A 74 -0.663 -23.640 2.564 1.00 0.00 O ATOM 1033 CB CYS A 74 1.235 -23.324 -0.003 1.00 0.00 C ATOM 1034 SG CYS A 74 0.182 -23.525 -1.479 1.00 0.00 S ATOM 0 H CYS A 74 2.536 -21.392 0.918 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.274 -21.957 0.690 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.218 -22.975 -0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.377 -24.299 0.463 1.00 0.00 H new ATOM 1039 N PRO A 75 1.422 -23.149 3.273 1.00 0.00 N ATOM 1040 CA PRO A 75 2.739 -22.516 3.083 1.00 0.00 C ATOM 1041 C PRO A 75 3.538 -23.152 1.950 1.00 0.00 C ATOM 1042 O PRO A 75 3.160 -24.194 1.417 1.00 0.00 O ATOM 1043 CB PRO A 75 3.451 -22.752 4.427 1.00 0.00 C ATOM 1044 CG PRO A 75 2.362 -23.102 5.387 1.00 0.00 C ATOM 1045 CD PRO A 75 1.327 -23.815 4.574 1.00 0.00 C ATOM 0 HA PRO A 75 2.642 -21.465 2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.182 -23.557 4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.990 -21.861 4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.736 -23.737 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.948 -22.208 5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.536 -24.882 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.332 -23.715 5.008 1.00 0.00 H new ATOM 1053 N PRO A 76 4.677 -22.537 1.591 1.00 0.00 N ATOM 1054 CA PRO A 76 5.553 -23.038 0.538 1.00 0.00 C ATOM 1055 C PRO A 76 5.630 -24.559 0.507 1.00 0.00 C ATOM 1056 O PRO A 76 5.832 -25.153 -0.553 1.00 0.00 O ATOM 1057 CB PRO A 76 6.900 -22.434 0.920 1.00 0.00 C ATOM 1058 CG PRO A 76 6.554 -21.126 1.544 1.00 0.00 C ATOM 1059 CD PRO A 76 5.210 -21.309 2.209 1.00 0.00 C ATOM 0 HA PRO A 76 5.204 -22.767 -0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.441 -23.076 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.538 -22.301 0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.310 -20.832 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.511 -20.337 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.309 -21.415 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.556 -20.455 2.031 1.00 0.00 H new ATOM 1067 N GLY A 77 5.460 -25.187 1.669 1.00 0.00 N ATOM 1068 CA GLY A 77 5.506 -26.637 1.730 1.00 0.00 C ATOM 1069 C GLY A 77 4.857 -27.260 0.513 1.00 0.00 C ATOM 1070 O GLY A 77 5.249 -28.337 0.065 1.00 0.00 O ATOM 0 H GLY A 77 5.293 -24.722 2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.542 -26.967 1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.999 -26.981 2.631 1.00 0.00 H new ATOM 1074 N HIS A 78 3.867 -26.559 -0.026 1.00 0.00 N ATOM 1075 CA HIS A 78 3.151 -27.009 -1.208 1.00 0.00 C ATOM 1076 C HIS A 78 3.865 -26.508 -2.472 1.00 0.00 C ATOM 1077 O HIS A 78 5.071 -26.709 -2.618 1.00 0.00 O ATOM 1078 CB HIS A 78 1.706 -26.508 -1.143 1.00 0.00 C ATOM 1079 CG HIS A 78 0.729 -27.390 -1.858 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -0.541 -26.980 -2.206 1.00 0.00 N ATOM 1081 CD2 HIS A 78 0.842 -28.668 -2.291 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -1.166 -27.967 -2.821 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.349 -29.003 -2.886 1.00 0.00 N ATOM 0 H HIS A 78 3.541 -25.666 0.344 1.00 0.00 H new ATOM 0 HA HIS A 78 3.136 -28.098 -1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.407 -26.422 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.659 -25.507 -1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.708 -29.305 -2.188 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.175 -27.933 -3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -0.567 -29.905 -3.309 1.00 0.00 H new ATOM 1092 N GLN A 79 3.141 -25.846 -3.376 1.00 0.00 N ATOM 1093 CA GLN A 79 3.742 -25.321 -4.593 1.00 0.00 C ATOM 1094 C GLN A 79 3.134 -23.965 -4.916 1.00 0.00 C ATOM 1095 O GLN A 79 2.474 -23.790 -5.939 1.00 0.00 O ATOM 1096 CB GLN A 79 3.538 -26.290 -5.758 1.00 0.00 C ATOM 1097 CG GLN A 79 4.831 -26.905 -6.272 1.00 0.00 C ATOM 1098 CD GLN A 79 4.999 -26.734 -7.769 1.00 0.00 C ATOM 1099 OE1 GLN A 79 5.440 -27.650 -8.464 1.00 0.00 O ATOM 1100 NE2 GLN A 79 4.649 -25.556 -8.274 1.00 0.00 N ATOM 0 H GLN A 79 2.142 -25.664 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 79 4.814 -25.204 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.866 -27.088 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.046 -25.764 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.677 -26.446 -5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.847 -27.967 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.288 -24.825 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.741 -25.382 -9.275 1.00 0.00 H new ATOM 1109 N LEU A 80 3.347 -23.016 -4.013 1.00 0.00 N ATOM 1110 CA LEU A 80 2.810 -21.672 -4.165 1.00 0.00 C ATOM 1111 C LEU A 80 3.777 -20.770 -4.921 1.00 0.00 C ATOM 1112 O LEU A 80 4.963 -20.705 -4.602 1.00 0.00 O ATOM 1113 CB LEU A 80 2.509 -21.084 -2.787 1.00 0.00 C ATOM 1114 CG LEU A 80 2.091 -19.612 -2.762 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.467 -19.194 -4.086 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.122 -19.367 -1.616 1.00 0.00 C ATOM 0 H LEU A 80 3.892 -23.155 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 80 1.890 -21.733 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.716 -21.674 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.395 -21.200 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 80 2.984 -19.005 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.180 -18.144 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.189 -19.336 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.584 -19.803 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.829 -18.317 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.237 -19.989 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.604 -19.619 -0.672 1.00 0.00 H new ATOM 1128 N SER A 81 3.254 -20.075 -5.923 1.00 0.00 N ATOM 1129 CA SER A 81 4.061 -19.170 -6.728 1.00 0.00 C ATOM 1130 C SER A 81 4.647 -18.055 -5.868 1.00 0.00 C ATOM 1131 O SER A 81 3.951 -17.460 -5.045 1.00 0.00 O ATOM 1132 CB SER A 81 3.213 -18.569 -7.846 1.00 0.00 C ATOM 1133 OG SER A 81 1.830 -18.716 -7.575 1.00 0.00 O ATOM 0 H SER A 81 2.273 -20.122 -6.197 1.00 0.00 H new ATOM 0 HA SER A 81 4.882 -19.739 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.454 -17.512 -7.961 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.455 -19.055 -8.791 1.00 0.00 H new ATOM 0 HG SER A 81 1.310 -18.321 -8.306 1.00 0.00 H new ATOM 1139 N PRO A 82 5.942 -17.758 -6.050 1.00 0.00 N ATOM 1140 CA PRO A 82 6.627 -16.709 -5.291 1.00 0.00 C ATOM 1141 C PRO A 82 5.864 -15.390 -5.307 1.00 0.00 C ATOM 1142 O PRO A 82 5.582 -14.813 -4.256 1.00 0.00 O ATOM 1143 CB PRO A 82 7.963 -16.560 -6.019 1.00 0.00 C ATOM 1144 CG PRO A 82 8.196 -17.886 -6.657 1.00 0.00 C ATOM 1145 CD PRO A 82 6.836 -18.424 -7.013 1.00 0.00 C ATOM 0 HA PRO A 82 6.726 -16.968 -4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.922 -15.764 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.766 -16.307 -5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.820 -17.787 -7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.715 -18.560 -5.976 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.567 -18.186 -8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.795 -19.509 -6.915 1.00 0.00 H new ATOM 1153 N ASN A 83 5.533 -14.916 -6.503 1.00 0.00 N ATOM 1154 CA ASN A 83 4.805 -13.662 -6.651 1.00 0.00 C ATOM 1155 C ASN A 83 3.907 -13.685 -7.883 1.00 0.00 C ATOM 1156 O ASN A 83 3.588 -12.640 -8.449 1.00 0.00 O ATOM 1157 CB ASN A 83 5.782 -12.489 -6.740 1.00 0.00 C ATOM 1158 CG ASN A 83 6.304 -12.074 -5.380 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.510 -11.925 -5.183 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.395 -11.883 -4.431 1.00 0.00 N ATOM 0 H ASN A 83 5.757 -15.381 -7.383 1.00 0.00 H new ATOM 0 HA ASN A 83 4.173 -13.537 -5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.620 -12.764 -7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.286 -11.640 -7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.686 -11.601 -3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.405 -12.018 -4.638 1.00 0.00 H new ATOM 1167 N ILE A 84 3.493 -14.881 -8.289 1.00 0.00 N ATOM 1168 CA ILE A 84 2.623 -15.029 -9.450 1.00 0.00 C ATOM 1169 C ILE A 84 1.162 -15.073 -9.018 1.00 0.00 C ATOM 1170 O ILE A 84 0.257 -14.864 -9.825 1.00 0.00 O ATOM 1171 CB ILE A 84 2.955 -16.298 -10.259 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.427 -16.296 -10.679 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.053 -16.396 -11.480 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.394 -16.271 -9.513 1.00 0.00 C ATOM 0 H ILE A 84 3.745 -15.758 -7.833 1.00 0.00 H new ATOM 0 HA ILE A 84 2.792 -14.163 -10.090 1.00 0.00 H new ATOM 0 HB ILE A 84 2.780 -17.168 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.624 -17.181 -11.284 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.613 -15.429 -11.313 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.298 -17.297 -12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.012 -16.440 -11.161 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.202 -15.521 -12.113 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.417 -16.271 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.225 -15.372 -8.920 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.236 -17.152 -8.890 1.00 0.00 H new ATOM 1186 N SER A 85 0.947 -15.330 -7.731 1.00 0.00 N ATOM 1187 CA SER A 85 -0.398 -15.384 -7.171 1.00 0.00 C ATOM 1188 C SER A 85 -1.140 -16.652 -7.587 1.00 0.00 C ATOM 1189 O SER A 85 -1.827 -16.667 -8.608 1.00 0.00 O ATOM 1190 CB SER A 85 -1.192 -14.147 -7.603 1.00 0.00 C ATOM 1191 OG SER A 85 -2.483 -14.503 -8.066 1.00 0.00 O ATOM 0 H SER A 85 1.690 -15.505 -7.055 1.00 0.00 H new ATOM 0 HA SER A 85 -0.304 -15.400 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.281 -13.457 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.652 -13.622 -8.391 1.00 0.00 H new ATOM 0 HG SER A 85 -2.400 -15.106 -8.834 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.011 -17.709 -6.780 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.689 -18.976 -7.059 1.00 0.00 C ATOM 1199 C ALA A 86 -0.987 -20.160 -6.400 1.00 0.00 C ATOM 1200 O ALA A 86 0.009 -20.669 -6.913 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.791 -19.206 -8.560 1.00 0.00 C ATOM 0 H ALA A 86 -0.445 -17.712 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.690 -18.904 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.298 -20.152 -8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.358 -18.394 -9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.791 -19.237 -8.992 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.530 -20.611 -5.271 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.973 -21.754 -4.554 1.00 0.00 C ATOM 1209 C CYS A 87 -1.083 -23.014 -5.409 1.00 0.00 C ATOM 1210 O CYS A 87 -2.011 -23.145 -6.207 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.722 -21.956 -3.234 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.699 -21.716 -1.747 1.00 0.00 S ATOM 0 H CYS A 87 -2.355 -20.202 -4.834 1.00 0.00 H new ATOM 0 HA CYS A 87 0.079 -21.560 -4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.563 -21.264 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.137 -22.964 -3.216 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.142 -23.941 -5.247 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.166 -25.177 -6.020 1.00 0.00 C ATOM 1219 C ILE A 88 0.572 -26.296 -5.299 1.00 0.00 C ATOM 1220 O ILE A 88 0.867 -27.323 -5.946 1.00 0.00 O ATOM 1221 CB ILE A 88 0.457 -24.981 -7.417 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.394 -23.509 -7.831 1.00 0.00 C ATOM 1223 CG2 ILE A 88 -0.254 -25.855 -8.438 1.00 0.00 C ATOM 1224 CD1 ILE A 88 0.909 -23.253 -9.230 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.848 -26.138 -4.092 1.00 0.00 O ATOM 0 H ILE A 88 0.638 -23.861 -4.595 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.214 -25.454 -6.133 1.00 0.00 H new ATOM 0 HB ILE A 88 1.505 -25.279 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.638 -23.165 -7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.975 -22.916 -7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.196 -25.707 -9.420 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.159 -26.902 -8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.309 -25.584 -8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.835 -22.189 -9.456 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.951 -23.566 -9.297 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.313 -23.819 -9.946 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -1.918 20.825 -10.403 1.00 0.00 CA HETATM 1239 CA CA A 102 1.408 -4.216 -0.359 1.00 0.00 CA