USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 45 SER OG : rot 171:sc= 0 USER MOD Set 1.2: A 90 HEC O2A : rot 80:sc= -0.537 USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 26 HIS : no HD1:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Set 3.1: A 12 THR OG1 : rot -32:sc= 0.436 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.751 X(o=-0.75,f=-0.45) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ -164:sc= -0.0246 (180deg=-0.493) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0413 K(o=-0.041,f=-2) USER MOD Single : A 28 THR OG1 : rot -84:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.048 F(o=-4.3!,f=-0.048) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.138 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.25 F(o=-1.6!,f=0.25) USER MOD Single : A 53 MET CE :methyl -174:sc= -2.18! (180deg=-2.28) USER MOD Single : A 58 MET CE :methyl -161:sc= 0 (180deg=-0.224) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -6:sc= -0.147 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 160:sc= -0.424 (180deg=-1.6) USER MOD Single : A 75 SER OG : rot -54:sc= 0.0357 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 142:sc= 2.63 (180deg=-2.59!) USER MOD Single : A 90 HEC O2D : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 4.681 0.420 -15.020 1.00 10.00 N ATOM 2 CA ALA A -3 6.125 0.101 -15.040 1.00 10.00 C ATOM 3 C ALA A -3 6.283 -1.353 -15.472 1.00 10.00 C ATOM 4 O ALA A -3 6.104 -1.627 -16.652 1.00 10.00 O ATOM 5 CB ALA A -3 6.813 0.419 -13.700 1.00 10.00 C ATOM 0 H1 ALA A -3 4.554 1.452 -14.997 1.00 10.00 H new ATOM 0 H2 ALA A -3 4.228 0.034 -15.873 1.00 10.00 H new ATOM 0 H3 ALA A -3 4.244 -0.002 -14.176 1.00 10.00 H new ATOM 0 HA ALA A -3 6.636 0.739 -15.761 1.00 10.00 H new ATOM 0 HB1 ALA A -3 7.872 0.167 -13.766 1.00 10.00 H new ATOM 0 HB2 ALA A -3 6.706 1.481 -13.479 1.00 10.00 H new ATOM 0 HB3 ALA A -3 6.350 -0.166 -12.905 1.00 10.00 H new ATOM 13 N ASP A -2 6.475 -2.262 -14.519 1.00 10.00 N ATOM 14 CA ASP A -2 6.560 -3.686 -14.777 1.00 10.00 C ATOM 15 C ASP A -2 6.365 -4.429 -13.446 1.00 10.00 C ATOM 16 O ASP A -2 7.022 -4.085 -12.460 1.00 10.00 O ATOM 17 CB ASP A -2 7.924 -3.974 -15.412 1.00 10.00 C ATOM 18 CG ASP A -2 7.938 -5.348 -16.047 1.00 10.00 C ATOM 19 OD1 ASP A -2 7.453 -6.290 -15.382 1.00 10.00 O ATOM 20 OD2 ASP A -2 8.463 -5.447 -17.174 1.00 10.00 O ATOM 0 H ASP A -2 6.577 -2.020 -13.533 1.00 10.00 H new ATOM 0 HA ASP A -2 5.788 -4.027 -15.467 1.00 10.00 H new ATOM 0 HB2 ASP A -2 8.148 -3.218 -16.164 1.00 10.00 H new ATOM 0 HB3 ASP A -2 8.705 -3.910 -14.654 1.00 10.00 H new ATOM 25 N LEU A -1 5.426 -5.380 -13.369 1.00 10.00 N ATOM 26 CA LEU A -1 5.223 -6.179 -12.169 1.00 10.00 C ATOM 27 C LEU A -1 6.337 -7.219 -12.022 1.00 10.00 C ATOM 28 O LEU A -1 6.144 -8.414 -12.228 1.00 10.00 O ATOM 29 CB LEU A -1 3.823 -6.783 -12.209 1.00 10.00 C ATOM 30 CG LEU A -1 3.347 -7.437 -10.904 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.555 -8.953 -10.810 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.858 -6.764 -9.635 1.00 10.00 C ATOM 0 H LEU A -1 4.793 -5.611 -14.135 1.00 10.00 H new ATOM 0 HA LEU A -1 5.283 -5.556 -11.276 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.116 -5.999 -12.481 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.791 -7.530 -13.002 1.00 10.00 H new ATOM 0 HG LEU A -1 2.272 -7.270 -10.964 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.185 -9.312 -9.850 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.011 -9.446 -11.616 1.00 10.00 H new ATOM 0 HD13 LEU A -1 4.617 -9.181 -10.897 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.472 -7.292 -8.763 1.00 10.00 H new ATOM 0 HD22 LEU A -1 4.948 -6.790 -9.623 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.520 -5.728 -9.611 1.00 10.00 H new ATOM 44 N GLN A 1 7.536 -6.713 -11.740 1.00 10.00 N ATOM 45 CA GLN A 1 8.762 -7.482 -11.587 1.00 10.00 C ATOM 46 C GLN A 1 9.346 -7.456 -10.171 1.00 10.00 C ATOM 47 O GLN A 1 10.180 -8.292 -9.832 1.00 10.00 O ATOM 48 CB GLN A 1 9.750 -7.016 -12.673 1.00 10.00 C ATOM 49 CG GLN A 1 10.232 -8.210 -13.511 1.00 10.00 C ATOM 50 CD GLN A 1 10.699 -7.814 -14.906 1.00 10.00 C ATOM 51 OE1 GLN A 1 11.888 -7.704 -15.177 1.00 10.00 O ATOM 52 NE2 GLN A 1 9.756 -7.620 -15.813 1.00 10.00 N ATOM 0 H GLN A 1 7.682 -5.712 -11.607 1.00 10.00 H new ATOM 0 HA GLN A 1 8.537 -8.539 -11.729 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.269 -6.281 -13.319 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.603 -6.522 -12.209 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.050 -8.706 -12.988 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.423 -8.935 -13.598 1.00 10.00 H new ATOM 0 HE21 GLN A 1 8.774 -7.719 -15.557 1.00 10.00 H new ATOM 0 HE22 GLN A 1 10.011 -7.371 -16.769 1.00 10.00 H new ATOM 61 N ASP A 2 8.952 -6.455 -9.382 1.00 10.00 N ATOM 62 CA ASP A 2 9.479 -6.184 -8.052 1.00 10.00 C ATOM 63 C ASP A 2 8.326 -5.660 -7.171 1.00 10.00 C ATOM 64 O ASP A 2 7.155 -5.924 -7.430 1.00 10.00 O ATOM 65 CB ASP A 2 10.668 -5.209 -8.226 1.00 10.00 C ATOM 66 CG ASP A 2 11.538 -5.037 -6.986 1.00 10.00 C ATOM 67 OD1 ASP A 2 12.477 -5.839 -6.820 1.00 10.00 O ATOM 68 OD2 ASP A 2 11.196 -4.122 -6.200 1.00 10.00 O ATOM 0 H ASP A 2 8.232 -5.790 -9.665 1.00 10.00 H new ATOM 0 HA ASP A 2 9.863 -7.066 -7.540 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.293 -5.563 -9.046 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.280 -4.233 -8.519 1.00 10.00 H new ATOM 73 N ALA A 3 8.659 -4.872 -6.158 1.00 10.00 N ATOM 74 CA ALA A 3 7.788 -4.203 -5.219 1.00 10.00 C ATOM 75 C ALA A 3 8.101 -2.703 -5.134 1.00 10.00 C ATOM 76 O ALA A 3 7.180 -1.882 -5.099 1.00 10.00 O ATOM 77 CB ALA A 3 8.004 -4.872 -3.878 1.00 10.00 C ATOM 0 H ALA A 3 9.639 -4.670 -5.960 1.00 10.00 H new ATOM 0 HA ALA A 3 6.749 -4.282 -5.538 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.366 -4.401 -3.130 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.754 -5.930 -3.955 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.048 -4.767 -3.583 1.00 10.00 H new ATOM 83 N GLU A 4 9.388 -2.321 -5.145 1.00 10.00 N ATOM 84 CA GLU A 4 9.766 -0.913 -5.173 1.00 10.00 C ATOM 85 C GLU A 4 9.137 -0.214 -6.380 1.00 10.00 C ATOM 86 O GLU A 4 8.484 0.820 -6.254 1.00 10.00 O ATOM 87 CB GLU A 4 11.289 -0.762 -5.131 1.00 10.00 C ATOM 88 CG GLU A 4 11.706 0.689 -5.431 1.00 10.00 C ATOM 89 CD GLU A 4 13.127 0.992 -4.979 1.00 10.00 C ATOM 90 OE1 GLU A 4 14.051 0.458 -5.628 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.261 1.759 -4.002 1.00 10.00 O ATOM 0 H GLU A 4 10.175 -2.969 -5.135 1.00 10.00 H new ATOM 0 HA GLU A 4 9.377 -0.421 -4.282 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.661 -1.056 -4.149 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.745 -1.433 -5.858 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.622 0.874 -6.502 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.017 1.372 -4.934 1.00 10.00 H new ATOM 98 N ALA A 5 9.239 -0.845 -7.552 1.00 10.00 N ATOM 99 CA ALA A 5 8.719 -0.286 -8.792 1.00 10.00 C ATOM 100 C ALA A 5 7.191 -0.218 -8.757 1.00 10.00 C ATOM 101 O ALA A 5 6.589 0.691 -9.321 1.00 10.00 O ATOM 102 CB ALA A 5 9.187 -1.152 -9.964 1.00 10.00 C ATOM 0 H ALA A 5 9.684 -1.756 -7.663 1.00 10.00 H new ATOM 0 HA ALA A 5 9.096 0.730 -8.914 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.802 -0.740 -10.897 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.276 -1.164 -9.995 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.816 -2.169 -9.836 1.00 10.00 H new ATOM 108 N ILE A 6 6.559 -1.159 -8.057 1.00 10.00 N ATOM 109 CA ILE A 6 5.114 -1.228 -7.935 1.00 10.00 C ATOM 110 C ILE A 6 4.658 -0.052 -7.087 1.00 10.00 C ATOM 111 O ILE A 6 3.846 0.745 -7.552 1.00 10.00 O ATOM 112 CB ILE A 6 4.713 -2.581 -7.327 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.796 -3.707 -8.364 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.287 -2.578 -6.750 1.00 10.00 C ATOM 115 CD1 ILE A 6 6.118 -3.763 -9.137 1.00 10.00 C ATOM 0 H ILE A 6 7.047 -1.901 -7.555 1.00 10.00 H new ATOM 0 HA ILE A 6 4.628 -1.162 -8.908 1.00 10.00 H new ATOM 0 HB ILE A 6 5.423 -2.753 -6.518 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.644 -4.661 -7.859 1.00 10.00 H new ATOM 0 HG13 ILE A 6 3.978 -3.590 -9.075 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.060 -3.560 -6.335 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.214 -1.826 -5.964 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.575 -2.346 -7.542 1.00 10.00 H new ATOM 0 HD11 ILE A 6 6.089 -4.589 -9.848 1.00 10.00 H new ATOM 0 HD12 ILE A 6 6.265 -2.826 -9.674 1.00 10.00 H new ATOM 0 HD13 ILE A 6 6.941 -3.914 -8.439 1.00 10.00 H new ATOM 127 N TYR A 7 5.234 0.146 -5.894 1.00 10.00 N ATOM 128 CA TYR A 7 4.773 1.266 -5.085 1.00 10.00 C ATOM 129 C TYR A 7 5.156 2.607 -5.720 1.00 10.00 C ATOM 130 O TYR A 7 4.350 3.530 -5.760 1.00 10.00 O ATOM 131 CB TYR A 7 5.143 1.126 -3.597 1.00 10.00 C ATOM 132 CG TYR A 7 6.406 1.839 -3.175 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.406 3.238 -3.012 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.598 1.117 -3.014 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.620 3.925 -2.849 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.810 1.808 -2.855 1.00 10.00 C ATOM 137 CZ TYR A 7 8.824 3.206 -2.795 1.00 10.00 C ATOM 138 OH TYR A 7 10.005 3.867 -2.667 1.00 10.00 O ATOM 0 H TYR A 7 5.978 -0.423 -5.490 1.00 10.00 H new ATOM 0 HA TYR A 7 3.683 1.245 -5.080 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.315 1.503 -2.997 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.249 0.066 -3.364 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.473 3.782 -3.012 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.584 0.037 -3.012 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.627 5.002 -2.766 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.736 1.258 -2.779 1.00 10.00 H new ATOM 0 HH TYR A 7 10.741 3.220 -2.644 1.00 10.00 H new ATOM 148 N ASN A 8 6.360 2.686 -6.285 1.00 10.00 N ATOM 149 CA ASN A 8 6.909 3.869 -6.924 1.00 10.00 C ATOM 150 C ASN A 8 6.200 4.224 -8.242 1.00 10.00 C ATOM 151 O ASN A 8 6.256 5.370 -8.675 1.00 10.00 O ATOM 152 CB ASN A 8 8.410 3.632 -7.088 1.00 10.00 C ATOM 153 CG ASN A 8 9.199 4.854 -7.519 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.852 5.991 -7.230 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.309 4.622 -8.199 1.00 10.00 N ATOM 0 H ASN A 8 7.001 1.893 -6.308 1.00 10.00 H new ATOM 0 HA ASN A 8 6.739 4.747 -6.301 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.813 3.271 -6.142 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.561 2.841 -7.822 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.898 5.400 -8.495 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.576 3.665 -8.428 1.00 10.00 H new ATOM 162 N LYS A 9 5.541 3.265 -8.903 1.00 10.00 N ATOM 163 CA LYS A 9 4.626 3.542 -10.014 1.00 10.00 C ATOM 164 C LYS A 9 3.159 3.729 -9.576 1.00 10.00 C ATOM 165 O LYS A 9 2.421 4.449 -10.247 1.00 10.00 O ATOM 166 CB LYS A 9 4.733 2.429 -11.063 1.00 10.00 C ATOM 167 CG LYS A 9 4.199 2.887 -12.430 1.00 10.00 C ATOM 168 CD LYS A 9 5.246 3.712 -13.208 1.00 10.00 C ATOM 169 CE LYS A 9 4.761 5.135 -13.514 1.00 10.00 C ATOM 170 NZ LYS A 9 5.739 5.864 -14.354 1.00 10.00 N ATOM 0 H LYS A 9 5.628 2.273 -8.681 1.00 10.00 H new ATOM 0 HA LYS A 9 4.935 4.495 -10.444 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.774 2.121 -11.163 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.173 1.556 -10.727 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.913 2.016 -13.019 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.299 3.485 -12.287 1.00 10.00 H new ATOM 0 HD2 LYS A 9 6.168 3.762 -12.629 1.00 10.00 H new ATOM 0 HD3 LYS A 9 5.484 3.203 -14.142 1.00 10.00 H new ATOM 0 HE2 LYS A 9 3.799 5.092 -14.025 1.00 10.00 H new ATOM 0 HE3 LYS A 9 4.603 5.677 -12.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 5.385 6.823 -14.545 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 6.649 5.924 -13.854 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 5.870 5.358 -15.253 1.00 10.00 H new ATOM 184 N ALA A 10 2.719 3.059 -8.503 1.00 10.00 N ATOM 185 CA ALA A 10 1.303 2.917 -8.141 1.00 10.00 C ATOM 186 C ALA A 10 0.951 3.716 -6.883 1.00 10.00 C ATOM 187 O ALA A 10 0.212 4.698 -6.953 1.00 10.00 O ATOM 188 CB ALA A 10 0.948 1.435 -7.974 1.00 10.00 C ATOM 0 H ALA A 10 3.349 2.592 -7.850 1.00 10.00 H new ATOM 0 HA ALA A 10 0.706 3.331 -8.953 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.104 1.341 -7.706 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.132 0.909 -8.911 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.564 1.000 -7.187 1.00 10.00 H new ATOM 194 N CYS A 11 1.520 3.355 -5.728 1.00 10.00 N ATOM 195 CA CYS A 11 1.328 4.050 -4.452 1.00 10.00 C ATOM 196 C CYS A 11 2.140 5.374 -4.414 1.00 10.00 C ATOM 197 O CYS A 11 2.741 5.740 -3.406 1.00 10.00 O ATOM 198 CB CYS A 11 1.663 3.130 -3.283 1.00 10.00 C ATOM 199 SG CYS A 11 1.700 1.332 -3.596 1.00 10.00 S ATOM 0 H CYS A 11 2.143 2.551 -5.654 1.00 10.00 H new ATOM 0 HA CYS A 11 0.277 4.321 -4.356 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.639 3.422 -2.896 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.937 3.317 -2.491 1.00 10.00 H new ATOM 204 N THR A 12 2.146 6.111 -5.531 1.00 10.00 N ATOM 205 CA THR A 12 3.047 7.230 -5.810 1.00 10.00 C ATOM 206 C THR A 12 2.328 8.496 -6.256 1.00 10.00 C ATOM 207 O THR A 12 2.963 9.506 -6.553 1.00 10.00 O ATOM 208 CB THR A 12 4.051 6.799 -6.883 1.00 10.00 C ATOM 209 OG1 THR A 12 5.110 7.717 -6.924 1.00 10.00 O ATOM 210 CG2 THR A 12 3.393 6.748 -8.270 1.00 10.00 C ATOM 0 H THR A 12 1.495 5.935 -6.296 1.00 10.00 H new ATOM 0 HA THR A 12 3.550 7.480 -4.876 1.00 10.00 H new ATOM 0 HB THR A 12 4.413 5.803 -6.628 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.779 8.609 -6.690 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.130 6.439 -9.011 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.570 6.033 -8.256 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.011 7.736 -8.528 1.00 10.00 H new ATOM 218 N VAL A 13 1.003 8.425 -6.328 1.00 10.00 N ATOM 219 CA VAL A 13 0.144 9.498 -6.793 1.00 10.00 C ATOM 220 C VAL A 13 -0.480 10.175 -5.570 1.00 10.00 C ATOM 221 O VAL A 13 -0.415 11.387 -5.390 1.00 10.00 O ATOM 222 CB VAL A 13 -0.916 8.882 -7.719 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.774 10.001 -8.291 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.276 8.094 -8.873 1.00 10.00 C ATOM 0 H VAL A 13 0.485 7.590 -6.054 1.00 10.00 H new ATOM 0 HA VAL A 13 0.692 10.255 -7.353 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.520 8.187 -7.135 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.531 9.578 -8.951 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.261 10.538 -7.477 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.145 10.690 -8.855 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.059 7.674 -9.505 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.350 8.761 -9.466 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.335 7.287 -8.468 1.00 10.00 H new ATOM 234 N CYS A 14 -1.059 9.338 -4.714 1.00 10.00 N ATOM 235 CA CYS A 14 -1.717 9.702 -3.479 1.00 10.00 C ATOM 236 C CYS A 14 -0.700 9.725 -2.332 1.00 10.00 C ATOM 237 O CYS A 14 -0.417 10.778 -1.774 1.00 10.00 O ATOM 238 CB CYS A 14 -2.798 8.675 -3.280 1.00 10.00 C ATOM 239 SG CYS A 14 -4.136 8.985 -4.459 1.00 10.00 S ATOM 0 H CYS A 14 -1.078 8.332 -4.880 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.152 10.701 -3.508 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.395 7.673 -3.424 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.178 8.722 -2.259 1.00 10.00 H new ATOM 244 N HIS A 15 -0.113 8.574 -2.000 1.00 10.00 N ATOM 245 CA HIS A 15 0.656 8.361 -0.773 1.00 10.00 C ATOM 246 C HIS A 15 2.045 9.024 -0.751 1.00 10.00 C ATOM 247 O HIS A 15 2.689 9.068 0.301 1.00 10.00 O ATOM 248 CB HIS A 15 0.841 6.851 -0.611 1.00 10.00 C ATOM 249 CG HIS A 15 -0.385 6.096 -0.199 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.589 5.609 1.060 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.352 5.573 -1.008 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.656 4.802 1.023 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.182 4.765 -0.212 1.00 10.00 N ATOM 0 H HIS A 15 -0.160 7.744 -2.591 1.00 10.00 H new ATOM 0 HA HIS A 15 0.094 8.825 0.038 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.199 6.442 -1.556 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.622 6.675 0.129 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -0.027 5.823 1.884 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.460 5.748 -2.068 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.041 4.255 1.871 1.00 10.00 H new ATOM 261 N SER A 16 2.509 9.520 -1.901 1.00 10.00 N ATOM 262 CA SER A 16 3.798 10.204 -2.041 1.00 10.00 C ATOM 263 C SER A 16 3.737 11.613 -1.443 1.00 10.00 C ATOM 264 O SER A 16 4.716 12.095 -0.878 1.00 10.00 O ATOM 265 CB SER A 16 4.209 10.257 -3.522 1.00 10.00 C ATOM 266 OG SER A 16 5.116 9.207 -3.807 1.00 10.00 O ATOM 0 H SER A 16 1.990 9.456 -2.777 1.00 10.00 H new ATOM 0 HA SER A 16 4.551 9.641 -1.490 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.327 10.170 -4.157 1.00 10.00 H new ATOM 0 HB3 SER A 16 4.670 11.219 -3.747 1.00 10.00 H new ATOM 0 HG SER A 16 5.373 9.244 -4.752 1.00 10.00 H new ATOM 272 N MET A 17 2.586 12.275 -1.605 1.00 10.00 N ATOM 273 CA MET A 17 2.375 13.678 -1.253 1.00 10.00 C ATOM 274 C MET A 17 1.177 13.867 -0.301 1.00 10.00 C ATOM 275 O MET A 17 1.225 14.695 0.605 1.00 10.00 O ATOM 276 CB MET A 17 2.215 14.455 -2.568 1.00 10.00 C ATOM 277 CG MET A 17 2.617 15.935 -2.465 1.00 10.00 C ATOM 278 SD MET A 17 3.848 16.453 -3.694 1.00 10.00 S ATOM 279 CE MET A 17 3.965 18.211 -3.330 1.00 10.00 C ATOM 0 H MET A 17 1.754 11.834 -1.996 1.00 10.00 H new ATOM 0 HA MET A 17 3.230 14.062 -0.697 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.820 13.976 -3.338 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.176 14.392 -2.893 1.00 10.00 H new ATOM 0 HG2 MET A 17 1.725 16.552 -2.577 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.013 16.125 -1.467 1.00 10.00 H new ATOM 0 HE1 MET A 17 4.685 18.675 -4.004 1.00 10.00 H new ATOM 0 HE2 MET A 17 2.989 18.676 -3.466 1.00 10.00 H new ATOM 0 HE3 MET A 17 4.292 18.348 -2.299 1.00 10.00 H new ATOM 289 N GLY A 18 0.110 13.085 -0.501 1.00 10.00 N ATOM 290 CA GLY A 18 -1.088 13.045 0.335 1.00 10.00 C ATOM 291 C GLY A 18 -2.179 14.012 -0.139 1.00 10.00 C ATOM 292 O GLY A 18 -2.553 14.934 0.579 1.00 10.00 O ATOM 0 H GLY A 18 0.059 12.435 -1.286 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.487 12.031 0.341 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.816 13.287 1.362 1.00 10.00 H new ATOM 296 N VAL A 19 -2.720 13.784 -1.344 1.00 10.00 N ATOM 297 CA VAL A 19 -3.721 14.662 -1.967 1.00 10.00 C ATOM 298 C VAL A 19 -5.134 14.335 -1.500 1.00 10.00 C ATOM 299 O VAL A 19 -5.822 15.161 -0.908 1.00 10.00 O ATOM 300 CB VAL A 19 -3.601 14.629 -3.502 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.654 15.531 -4.165 1.00 10.00 C ATOM 302 CG2 VAL A 19 -2.210 15.100 -3.944 1.00 10.00 C ATOM 0 H VAL A 19 -2.473 12.978 -1.919 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.515 15.681 -1.641 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.763 13.597 -3.814 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -4.542 15.485 -5.248 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.652 15.190 -3.888 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.516 16.559 -3.829 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -2.144 15.070 -5.032 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -2.045 16.121 -3.599 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -1.451 14.445 -3.516 1.00 10.00 H new ATOM 312 N ALA A 20 -5.548 13.087 -1.688 1.00 10.00 N ATOM 313 CA ALA A 20 -6.844 12.585 -1.250 1.00 10.00 C ATOM 314 C ALA A 20 -6.807 12.173 0.229 1.00 10.00 C ATOM 315 O ALA A 20 -7.434 11.202 0.638 1.00 10.00 O ATOM 316 CB ALA A 20 -7.208 11.428 -2.170 1.00 10.00 C ATOM 0 H ALA A 20 -4.980 12.382 -2.159 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.608 13.360 -1.316 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -8.175 11.020 -1.877 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.261 11.784 -3.199 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.448 10.650 -2.094 1.00 10.00 H new ATOM 322 N GLY A 21 -6.003 12.893 1.014 1.00 10.00 N ATOM 323 CA GLY A 21 -5.729 12.591 2.419 1.00 10.00 C ATOM 324 C GLY A 21 -5.013 11.248 2.622 1.00 10.00 C ATOM 325 O GLY A 21 -5.063 10.674 3.707 1.00 10.00 O ATOM 0 H GLY A 21 -5.512 13.723 0.681 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.118 13.388 2.843 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.669 12.581 2.971 1.00 10.00 H new ATOM 329 N ALA A 22 -4.337 10.739 1.585 1.00 10.00 N ATOM 330 CA ALA A 22 -3.712 9.424 1.627 1.00 10.00 C ATOM 331 C ALA A 22 -2.598 9.331 2.693 1.00 10.00 C ATOM 332 O ALA A 22 -1.804 10.265 2.833 1.00 10.00 O ATOM 333 CB ALA A 22 -3.221 9.049 0.230 1.00 10.00 C ATOM 0 H ALA A 22 -4.212 11.230 0.700 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.461 8.695 1.936 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.753 8.065 0.261 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.065 9.028 -0.459 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.494 9.786 -0.110 1.00 10.00 H new ATOM 339 N PRO A 23 -2.525 8.220 3.446 1.00 10.00 N ATOM 340 CA PRO A 23 -1.585 8.051 4.547 1.00 10.00 C ATOM 341 C PRO A 23 -0.158 7.918 4.011 1.00 10.00 C ATOM 342 O PRO A 23 0.067 7.218 3.030 1.00 10.00 O ATOM 343 CB PRO A 23 -2.068 6.807 5.296 1.00 10.00 C ATOM 344 CG PRO A 23 -2.941 6.024 4.318 1.00 10.00 C ATOM 345 CD PRO A 23 -3.374 7.055 3.283 1.00 10.00 C ATOM 0 HA PRO A 23 -1.554 8.908 5.220 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -1.224 6.204 5.631 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.634 7.085 6.185 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -2.386 5.207 3.857 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.801 5.581 4.821 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.280 6.650 2.276 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.422 7.322 3.422 1.00 10.00 H new ATOM 353 N LYS A 24 0.819 8.598 4.612 1.00 10.00 N ATOM 354 CA LYS A 24 2.174 8.676 4.054 1.00 10.00 C ATOM 355 C LYS A 24 2.773 7.290 3.762 1.00 10.00 C ATOM 356 O LYS A 24 2.751 6.400 4.619 1.00 10.00 O ATOM 357 CB LYS A 24 3.078 9.460 5.013 1.00 10.00 C ATOM 358 CG LYS A 24 3.025 10.976 4.779 1.00 10.00 C ATOM 359 CD LYS A 24 3.377 11.729 6.074 1.00 10.00 C ATOM 360 CE LYS A 24 2.110 12.224 6.787 1.00 10.00 C ATOM 361 NZ LYS A 24 1.647 13.514 6.231 1.00 10.00 N ATOM 0 H LYS A 24 0.699 9.105 5.489 1.00 10.00 H new ATOM 0 HA LYS A 24 2.109 9.195 3.098 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.782 9.245 6.040 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.106 9.116 4.899 1.00 10.00 H new ATOM 0 HG2 LYS A 24 3.722 11.253 3.988 1.00 10.00 H new ATOM 0 HG3 LYS A 24 2.029 11.264 4.442 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.939 11.073 6.739 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.022 12.576 5.842 1.00 10.00 H new ATOM 0 HE2 LYS A 24 1.320 11.479 6.688 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.311 12.336 7.852 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 0.790 13.821 6.734 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 2.392 14.230 6.348 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 1.433 13.399 5.220 1.00 10.00 H new ATOM 375 N SER A 25 3.371 7.123 2.572 1.00 10.00 N ATOM 376 CA SER A 25 4.103 5.909 2.201 1.00 10.00 C ATOM 377 C SER A 25 5.232 5.538 3.183 1.00 10.00 C ATOM 378 O SER A 25 5.727 4.419 3.149 1.00 10.00 O ATOM 379 CB SER A 25 4.633 6.027 0.765 1.00 10.00 C ATOM 380 OG SER A 25 5.431 7.187 0.634 1.00 10.00 O ATOM 0 H SER A 25 3.358 7.832 1.839 1.00 10.00 H new ATOM 0 HA SER A 25 3.389 5.088 2.257 1.00 10.00 H new ATOM 0 HB2 SER A 25 5.218 5.143 0.512 1.00 10.00 H new ATOM 0 HB3 SER A 25 3.799 6.069 0.064 1.00 10.00 H new ATOM 0 HG SER A 25 5.765 7.252 -0.285 1.00 10.00 H new ATOM 386 N HIS A 26 5.632 6.450 4.072 1.00 10.00 N ATOM 387 CA HIS A 26 6.659 6.220 5.088 1.00 10.00 C ATOM 388 C HIS A 26 6.358 6.984 6.390 1.00 10.00 C ATOM 389 O HIS A 26 7.239 7.605 6.977 1.00 10.00 O ATOM 390 CB HIS A 26 8.030 6.552 4.476 1.00 10.00 C ATOM 391 CG HIS A 26 8.008 7.753 3.561 1.00 10.00 C ATOM 392 ND1 HIS A 26 8.209 7.709 2.200 1.00 10.00 N ATOM 393 CD2 HIS A 26 7.517 8.996 3.863 1.00 10.00 C ATOM 394 CE1 HIS A 26 7.866 8.907 1.698 1.00 10.00 C ATOM 395 NE2 HIS A 26 7.436 9.724 2.673 1.00 10.00 N ATOM 0 H HIS A 26 5.241 7.391 4.105 1.00 10.00 H new ATOM 0 HA HIS A 26 6.666 5.171 5.386 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.744 6.731 5.280 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.389 5.687 3.918 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.242 9.350 4.846 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.928 9.176 0.654 1.00 10.00 H new ATOM 0 HE2 HIS A 26 7.114 10.686 2.566 1.00 10.00 H new ATOM 403 N ASN A 27 5.108 6.930 6.865 1.00 10.00 N ATOM 404 CA ASN A 27 4.771 7.363 8.221 1.00 10.00 C ATOM 405 C ASN A 27 5.209 6.290 9.236 1.00 10.00 C ATOM 406 O ASN A 27 5.475 5.153 8.854 1.00 10.00 O ATOM 407 CB ASN A 27 3.248 7.611 8.317 1.00 10.00 C ATOM 408 CG ASN A 27 2.850 9.033 8.713 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.624 9.761 9.320 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.629 9.464 8.416 1.00 10.00 N ATOM 0 H ASN A 27 4.312 6.589 6.326 1.00 10.00 H new ATOM 0 HA ASN A 27 5.295 8.291 8.451 1.00 10.00 H new ATOM 0 HB2 ASN A 27 2.795 7.378 7.353 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.827 6.916 9.043 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.337 10.401 8.694 1.00 10.00 H new ATOM 0 HD22 ASN A 27 0.983 8.858 7.910 1.00 10.00 H new ATOM 417 N THR A 28 5.206 6.617 10.534 1.00 10.00 N ATOM 418 CA THR A 28 5.216 5.585 11.583 1.00 10.00 C ATOM 419 C THR A 28 3.870 5.511 12.312 1.00 10.00 C ATOM 420 O THR A 28 3.329 4.428 12.494 1.00 10.00 O ATOM 421 CB THR A 28 6.381 5.836 12.558 1.00 10.00 C ATOM 422 OG1 THR A 28 6.532 4.752 13.444 1.00 10.00 O ATOM 423 CG2 THR A 28 6.250 7.122 13.380 1.00 10.00 C ATOM 0 H THR A 28 5.197 7.576 10.882 1.00 10.00 H new ATOM 0 HA THR A 28 5.369 4.614 11.112 1.00 10.00 H new ATOM 0 HB THR A 28 7.259 5.947 11.922 1.00 10.00 H new ATOM 0 HG1 THR A 28 5.914 4.857 14.197 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.112 7.221 14.040 1.00 10.00 H new ATOM 0 HG22 THR A 28 6.206 7.980 12.709 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.339 7.081 13.977 1.00 10.00 H new ATOM 431 N ALA A 29 3.192 6.643 12.517 1.00 10.00 N ATOM 432 CA ALA A 29 1.956 6.678 13.309 1.00 10.00 C ATOM 433 C ALA A 29 0.729 6.165 12.544 1.00 10.00 C ATOM 434 O ALA A 29 -0.270 5.770 13.135 1.00 10.00 O ATOM 435 CB ALA A 29 1.723 8.107 13.783 1.00 10.00 C ATOM 0 H ALA A 29 3.477 7.549 12.146 1.00 10.00 H new ATOM 0 HA ALA A 29 2.085 6.003 14.155 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.808 8.150 14.373 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.565 8.429 14.395 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.629 8.766 12.920 1.00 10.00 H new ATOM 441 N ASP A 30 0.826 6.182 11.218 1.00 10.00 N ATOM 442 CA ASP A 30 -0.159 5.700 10.259 1.00 10.00 C ATOM 443 C ASP A 30 -0.016 4.176 10.077 1.00 10.00 C ATOM 444 O ASP A 30 -0.965 3.475 9.736 1.00 10.00 O ATOM 445 CB ASP A 30 0.154 6.461 8.959 1.00 10.00 C ATOM 446 CG ASP A 30 -0.983 7.195 8.296 1.00 10.00 C ATOM 447 OD1 ASP A 30 -2.141 6.773 8.468 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.615 8.171 7.597 1.00 10.00 O ATOM 0 H ASP A 30 1.653 6.559 10.755 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.186 5.872 10.581 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.942 7.183 9.172 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.560 5.749 8.241 1.00 10.00 H new ATOM 453 N TRP A 31 1.202 3.668 10.313 1.00 10.00 N ATOM 454 CA TRP A 31 1.587 2.270 10.165 1.00 10.00 C ATOM 455 C TRP A 31 1.470 1.525 11.506 1.00 10.00 C ATOM 456 O TRP A 31 1.026 0.382 11.530 1.00 10.00 O ATOM 457 CB TRP A 31 2.992 2.197 9.538 1.00 10.00 C ATOM 458 CG TRP A 31 3.096 2.757 8.141 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.967 4.064 7.824 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.258 2.076 6.858 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.007 4.251 6.464 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.181 3.056 5.822 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.423 0.736 6.444 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.216 2.729 4.468 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.323 0.390 5.087 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.182 1.382 4.108 1.00 10.00 C ATOM 0 H TRP A 31 1.976 4.253 10.626 1.00 10.00 H new ATOM 0 HA TRP A 31 0.903 1.759 9.488 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.689 2.734 10.181 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.312 1.155 9.521 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.848 4.858 8.546 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.919 5.154 5.998 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.628 -0.029 7.178 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.268 3.501 3.715 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.355 -0.649 4.796 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.047 1.103 3.073 1.00 10.00 H new ATOM 477 N GLU A 32 1.782 2.163 12.640 1.00 10.00 N ATOM 478 CA GLU A 32 1.599 1.602 13.981 1.00 10.00 C ATOM 479 C GLU A 32 0.228 0.919 14.185 1.00 10.00 C ATOM 480 O GLU A 32 0.188 -0.283 14.457 1.00 10.00 O ATOM 481 CB GLU A 32 1.899 2.696 15.018 1.00 10.00 C ATOM 482 CG GLU A 32 3.412 2.814 15.269 1.00 10.00 C ATOM 483 CD GLU A 32 3.788 4.154 15.891 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.199 4.470 16.945 1.00 10.00 O ATOM 485 OE2 GLU A 32 4.640 4.843 15.289 1.00 10.00 O ATOM 0 H GLU A 32 2.177 3.103 12.650 1.00 10.00 H new ATOM 0 HA GLU A 32 2.308 0.786 14.117 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.509 3.652 14.668 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.388 2.466 15.953 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.734 2.007 15.927 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.946 2.690 14.327 1.00 10.00 H new ATOM 492 N PRO A 33 -0.914 1.604 13.978 1.00 10.00 N ATOM 493 CA PRO A 33 -2.241 1.007 14.117 1.00 10.00 C ATOM 494 C PRO A 33 -2.628 0.108 12.927 1.00 10.00 C ATOM 495 O PRO A 33 -3.816 -0.124 12.689 1.00 10.00 O ATOM 496 CB PRO A 33 -3.183 2.209 14.254 1.00 10.00 C ATOM 497 CG PRO A 33 -2.517 3.255 13.364 1.00 10.00 C ATOM 498 CD PRO A 33 -1.034 3.011 13.635 1.00 10.00 C ATOM 0 HA PRO A 33 -2.288 0.336 14.975 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.193 1.974 13.917 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.262 2.547 15.287 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.767 3.114 12.313 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.818 4.268 13.631 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.433 3.251 12.758 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.677 3.642 14.449 1.00 10.00 H new ATOM 506 N ARG A 34 -1.648 -0.389 12.165 1.00 10.00 N ATOM 507 CA ARG A 34 -1.799 -1.324 11.053 1.00 10.00 C ATOM 508 C ARG A 34 -0.890 -2.555 11.301 1.00 10.00 C ATOM 509 O ARG A 34 -1.353 -3.696 11.286 1.00 10.00 O ATOM 510 CB ARG A 34 -1.497 -0.570 9.743 1.00 10.00 C ATOM 511 CG ARG A 34 -2.358 0.688 9.514 1.00 10.00 C ATOM 512 CD ARG A 34 -3.798 0.361 9.116 1.00 10.00 C ATOM 513 NE ARG A 34 -4.724 0.599 10.236 1.00 10.00 N ATOM 514 CZ ARG A 34 -6.004 0.973 10.165 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.649 1.001 9.004 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.645 1.314 11.274 1.00 10.00 N ATOM 0 H ARG A 34 -0.673 -0.132 12.320 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.816 -1.709 10.971 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.446 -0.281 9.740 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.643 -1.252 8.905 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.365 1.287 10.424 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.901 1.298 8.735 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -4.090 0.972 8.262 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.864 -0.680 8.800 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.344 0.463 11.173 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -6.167 0.734 8.146 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.627 1.290 8.971 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.160 1.289 12.171 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.623 1.601 11.230 1.00 10.00 H new ATOM 530 N LEU A 35 0.380 -2.318 11.657 1.00 10.00 N ATOM 531 CA LEU A 35 1.399 -3.296 12.064 1.00 10.00 C ATOM 532 C LEU A 35 0.965 -4.101 13.305 1.00 10.00 C ATOM 533 O LEU A 35 1.488 -5.175 13.583 1.00 10.00 O ATOM 534 CB LEU A 35 2.718 -2.540 12.355 1.00 10.00 C ATOM 535 CG LEU A 35 3.995 -3.207 11.811 1.00 10.00 C ATOM 536 CD1 LEU A 35 5.218 -2.338 12.120 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.222 -4.616 12.357 1.00 10.00 C ATOM 0 H LEU A 35 0.749 -1.367 11.669 1.00 10.00 H new ATOM 0 HA LEU A 35 1.538 -4.011 11.253 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.644 -1.538 11.933 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.820 -2.424 13.434 1.00 10.00 H new ATOM 0 HG LEU A 35 3.856 -3.299 10.734 1.00 10.00 H new ATOM 0 HD11 LEU A 35 6.115 -2.820 11.730 1.00 10.00 H new ATOM 0 HD12 LEU A 35 5.098 -1.361 11.651 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.313 -2.213 13.199 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.138 -5.027 11.933 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.311 -4.576 13.443 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.379 -5.252 12.085 1.00 10.00 H new ATOM 549 N ALA A 36 -0.004 -3.577 14.064 1.00 10.00 N ATOM 550 CA ALA A 36 -0.536 -4.198 15.265 1.00 10.00 C ATOM 551 C ALA A 36 -1.551 -5.278 14.893 1.00 10.00 C ATOM 552 O ALA A 36 -1.737 -6.242 15.630 1.00 10.00 O ATOM 553 CB ALA A 36 -1.184 -3.117 16.134 1.00 10.00 C ATOM 0 H ALA A 36 -0.447 -2.684 13.847 1.00 10.00 H new ATOM 0 HA ALA A 36 0.269 -4.674 15.825 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -1.587 -3.571 17.039 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.437 -2.371 16.404 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -1.990 -2.638 15.578 1.00 10.00 H new ATOM 559 N LYS A 37 -2.214 -5.110 13.743 1.00 10.00 N ATOM 560 CA LYS A 37 -3.126 -6.109 13.214 1.00 10.00 C ATOM 561 C LYS A 37 -2.322 -7.276 12.629 1.00 10.00 C ATOM 562 O LYS A 37 -2.566 -8.438 12.943 1.00 10.00 O ATOM 563 CB LYS A 37 -4.049 -5.463 12.168 1.00 10.00 C ATOM 564 CG LYS A 37 -5.003 -4.440 12.802 1.00 10.00 C ATOM 565 CD LYS A 37 -6.369 -5.065 13.116 1.00 10.00 C ATOM 566 CE LYS A 37 -7.250 -5.107 11.859 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.589 -5.662 12.156 1.00 10.00 N ATOM 0 H LYS A 37 -2.128 -4.277 13.160 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.756 -6.505 14.010 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.445 -4.972 11.404 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.629 -6.238 11.667 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -4.562 -4.048 13.718 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.135 -3.596 12.125 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.232 -6.074 13.504 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.867 -4.489 13.896 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.354 -4.101 11.452 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.765 -5.713 11.093 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.159 -5.677 11.286 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.490 -6.631 12.522 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.060 -5.069 12.869 1.00 10.00 H new ATOM 581 N GLY A 38 -1.363 -6.941 11.763 1.00 10.00 N ATOM 582 CA GLY A 38 -0.450 -7.887 11.127 1.00 10.00 C ATOM 583 C GLY A 38 0.130 -7.288 9.843 1.00 10.00 C ATOM 584 O GLY A 38 0.778 -6.247 9.889 1.00 10.00 O ATOM 0 H GLY A 38 -1.197 -5.976 11.478 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.357 -8.141 11.814 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.977 -8.813 10.898 1.00 10.00 H new ATOM 588 N VAL A 39 -0.159 -7.915 8.700 1.00 10.00 N ATOM 589 CA VAL A 39 0.267 -7.456 7.377 1.00 10.00 C ATOM 590 C VAL A 39 -0.810 -7.738 6.334 1.00 10.00 C ATOM 591 O VAL A 39 -1.356 -6.822 5.710 1.00 10.00 O ATOM 592 CB VAL A 39 1.607 -8.104 6.968 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.714 -7.091 7.196 1.00 10.00 C ATOM 594 CG2 VAL A 39 1.984 -9.370 7.748 1.00 10.00 C ATOM 0 H VAL A 39 -0.708 -8.774 8.669 1.00 10.00 H new ATOM 0 HA VAL A 39 0.418 -6.378 7.430 1.00 10.00 H new ATOM 0 HB VAL A 39 1.486 -8.400 5.926 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.671 -7.528 6.913 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.527 -6.205 6.590 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.740 -6.811 8.249 1.00 10.00 H new ATOM 0 HG21 VAL A 39 2.940 -9.749 7.387 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.065 -9.133 8.809 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.215 -10.129 7.603 1.00 10.00 H new ATOM 604 N ASP A 40 -1.206 -9.006 6.210 1.00 10.00 N ATOM 605 CA ASP A 40 -2.172 -9.476 5.226 1.00 10.00 C ATOM 606 C ASP A 40 -3.608 -8.967 5.485 1.00 10.00 C ATOM 607 O ASP A 40 -4.565 -9.503 4.931 1.00 10.00 O ATOM 608 CB ASP A 40 -2.116 -11.013 5.164 1.00 10.00 C ATOM 609 CG ASP A 40 -0.721 -11.577 5.381 1.00 10.00 C ATOM 610 OD1 ASP A 40 -0.305 -11.525 6.559 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.088 -11.995 4.391 1.00 10.00 O ATOM 0 H ASP A 40 -0.852 -9.751 6.809 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.895 -9.058 4.258 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.787 -11.424 5.918 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.486 -11.344 4.194 1.00 10.00 H new ATOM 616 N ASN A 41 -3.769 -7.920 6.307 1.00 10.00 N ATOM 617 CA ASN A 41 -5.040 -7.272 6.626 1.00 10.00 C ATOM 618 C ASN A 41 -5.235 -6.022 5.767 1.00 10.00 C ATOM 619 O ASN A 41 -6.360 -5.558 5.606 1.00 10.00 O ATOM 620 CB ASN A 41 -5.095 -6.826 8.101 1.00 10.00 C ATOM 621 CG ASN A 41 -4.062 -7.478 8.999 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.024 -6.733 9.341 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.193 -8.621 9.408 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.980 -7.486 6.786 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.822 -8.006 6.431 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.964 -5.745 8.145 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.088 -7.043 8.495 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -5.004 -9.173 9.128 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.492 -9.024 10.030 1.00 10.00 H new ATOM 630 N LEU A 42 -4.132 -5.461 5.270 1.00 10.00 N ATOM 631 CA LEU A 42 -4.112 -4.218 4.520 1.00 10.00 C ATOM 632 C LEU A 42 -3.921 -4.508 3.030 1.00 10.00 C ATOM 633 O LEU A 42 -4.665 -3.988 2.199 1.00 10.00 O ATOM 634 CB LEU A 42 -3.025 -3.314 5.112 1.00 10.00 C ATOM 635 CG LEU A 42 -3.316 -2.758 6.527 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.799 -2.434 6.749 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.820 -3.685 7.643 1.00 10.00 C ATOM 0 H LEU A 42 -3.207 -5.875 5.384 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.062 -3.690 4.602 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.091 -3.874 5.146 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.868 -2.474 4.436 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.753 -1.826 6.578 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.940 -2.048 7.759 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -5.120 -1.684 6.026 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.392 -3.339 6.620 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.051 -3.244 8.612 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.313 -4.653 7.558 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.742 -3.818 7.553 1.00 10.00 H new ATOM 649 N VAL A 43 -3.015 -5.428 2.684 1.00 10.00 N ATOM 650 CA VAL A 43 -2.887 -5.909 1.306 1.00 10.00 C ATOM 651 C VAL A 43 -4.236 -6.430 0.771 1.00 10.00 C ATOM 652 O VAL A 43 -4.571 -6.241 -0.400 1.00 10.00 O ATOM 653 CB VAL A 43 -1.743 -6.936 1.205 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.199 -8.360 1.539 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.105 -6.933 -0.189 1.00 10.00 C ATOM 0 H VAL A 43 -2.360 -5.854 3.340 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.617 -5.077 0.656 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.005 -6.627 1.945 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.354 -9.043 1.452 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.585 -8.389 2.558 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.983 -8.663 0.845 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.302 -7.669 -0.223 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.859 -7.183 -0.935 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.699 -5.944 -0.401 1.00 10.00 H new ATOM 665 N LYS A 44 -5.069 -7.017 1.648 1.00 10.00 N ATOM 666 CA LYS A 44 -6.423 -7.382 1.248 1.00 10.00 C ATOM 667 C LYS A 44 -7.291 -6.167 0.875 1.00 10.00 C ATOM 668 O LYS A 44 -8.003 -6.194 -0.126 1.00 10.00 O ATOM 669 CB LYS A 44 -7.111 -8.289 2.273 1.00 10.00 C ATOM 670 CG LYS A 44 -7.091 -7.676 3.669 1.00 10.00 C ATOM 671 CD LYS A 44 -8.300 -8.084 4.511 1.00 10.00 C ATOM 672 CE LYS A 44 -9.398 -7.032 4.311 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.682 -7.460 4.904 1.00 10.00 N ATOM 0 H LYS A 44 -4.829 -7.241 2.614 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.313 -7.966 0.334 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.142 -8.467 1.968 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -6.613 -9.258 2.294 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.178 -7.979 4.181 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.063 -6.590 3.584 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -8.658 -9.069 4.211 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.025 -8.152 5.564 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.085 -6.090 4.762 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.534 -6.846 3.246 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.399 -6.723 4.748 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -10.993 -8.346 4.456 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.559 -7.613 5.925 1.00 10.00 H new ATOM 687 N SER A 45 -7.236 -5.085 1.656 1.00 10.00 N ATOM 688 CA SER A 45 -7.983 -3.871 1.345 1.00 10.00 C ATOM 689 C SER A 45 -7.450 -3.232 0.062 1.00 10.00 C ATOM 690 O SER A 45 -8.215 -2.704 -0.745 1.00 10.00 O ATOM 691 CB SER A 45 -7.922 -2.893 2.518 1.00 10.00 C ATOM 692 OG SER A 45 -8.911 -3.223 3.477 1.00 10.00 O ATOM 0 H SER A 45 -6.680 -5.028 2.509 1.00 10.00 H new ATOM 0 HA SER A 45 -9.028 -4.133 1.181 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.934 -2.924 2.977 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.075 -1.875 2.161 1.00 10.00 H new ATOM 0 HG SER A 45 -8.774 -2.688 4.286 1.00 10.00 H new ATOM 698 N VAL A 46 -6.139 -3.344 -0.165 1.00 10.00 N ATOM 699 CA VAL A 46 -5.520 -2.889 -1.394 1.00 10.00 C ATOM 700 C VAL A 46 -6.160 -3.562 -2.613 1.00 10.00 C ATOM 701 O VAL A 46 -6.668 -2.877 -3.497 1.00 10.00 O ATOM 702 CB VAL A 46 -3.998 -3.030 -1.300 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.291 -2.924 -2.650 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.398 -2.025 -0.315 1.00 10.00 C ATOM 0 H VAL A 46 -5.485 -3.753 0.502 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.708 -1.825 -1.537 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.827 -4.040 -0.928 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.216 -3.033 -2.507 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.651 -3.712 -3.312 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.501 -1.952 -3.095 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.317 -2.156 -0.275 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.629 -1.012 -0.643 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.820 -2.191 0.676 1.00 10.00 H new ATOM 714 N LYS A 47 -6.195 -4.898 -2.637 1.00 10.00 N ATOM 715 CA LYS A 47 -6.859 -5.658 -3.702 1.00 10.00 C ATOM 716 C LYS A 47 -8.343 -5.295 -3.861 1.00 10.00 C ATOM 717 O LYS A 47 -8.851 -5.220 -4.976 1.00 10.00 O ATOM 718 CB LYS A 47 -6.557 -7.149 -3.534 1.00 10.00 C ATOM 719 CG LYS A 47 -7.643 -7.966 -2.821 1.00 10.00 C ATOM 720 CD LYS A 47 -7.009 -9.034 -1.921 1.00 10.00 C ATOM 721 CE LYS A 47 -7.048 -10.446 -2.508 1.00 10.00 C ATOM 722 NZ LYS A 47 -8.396 -11.035 -2.362 1.00 10.00 N ATOM 0 H LYS A 47 -5.765 -5.483 -1.920 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.442 -5.368 -4.667 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.390 -7.582 -4.520 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.625 -7.253 -2.978 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.270 -7.305 -2.224 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.291 -8.441 -3.557 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.972 -8.761 -1.726 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.524 -9.037 -0.960 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -6.771 -10.415 -3.562 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.314 -11.075 -2.004 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -8.402 -11.993 -2.766 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -8.646 -11.083 -1.354 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -9.089 -10.444 -2.863 1.00 10.00 H new ATOM 736 N THR A 48 -9.014 -4.993 -2.748 1.00 10.00 N ATOM 737 CA THR A 48 -10.429 -4.616 -2.746 1.00 10.00 C ATOM 738 C THR A 48 -10.652 -3.217 -3.336 1.00 10.00 C ATOM 739 O THR A 48 -11.656 -3.004 -4.008 1.00 10.00 O ATOM 740 CB THR A 48 -10.973 -4.706 -1.311 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.025 -6.066 -0.926 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.374 -4.116 -1.130 1.00 10.00 C ATOM 0 H THR A 48 -8.590 -5.003 -1.820 1.00 10.00 H new ATOM 0 HA THR A 48 -10.974 -5.311 -3.385 1.00 10.00 H new ATOM 0 HB THR A 48 -10.294 -4.118 -0.694 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.139 -6.354 -0.620 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.681 -4.221 -0.089 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.362 -3.060 -1.400 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.078 -4.647 -1.771 1.00 10.00 H new ATOM 750 N GLY A 49 -9.740 -2.265 -3.104 1.00 10.00 N ATOM 751 CA GLY A 49 -9.935 -0.884 -3.537 1.00 10.00 C ATOM 752 C GLY A 49 -10.778 -0.102 -2.530 1.00 10.00 C ATOM 753 O GLY A 49 -12.006 -0.150 -2.546 1.00 10.00 O ATOM 0 H GLY A 49 -8.859 -2.431 -2.617 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -8.967 -0.398 -3.659 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.423 -0.871 -4.511 1.00 10.00 H new ATOM 757 N LEU A 50 -10.108 0.618 -1.630 1.00 10.00 N ATOM 758 CA LEU A 50 -10.756 1.521 -0.684 1.00 10.00 C ATOM 759 C LEU A 50 -11.544 2.630 -1.400 1.00 10.00 C ATOM 760 O LEU A 50 -11.402 2.863 -2.591 1.00 10.00 O ATOM 761 CB LEU A 50 -9.672 2.133 0.210 1.00 10.00 C ATOM 762 CG LEU A 50 -10.062 2.354 1.675 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.034 1.034 2.454 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.045 3.330 2.264 1.00 10.00 C ATOM 0 H LEU A 50 -9.093 0.589 -1.538 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.474 0.957 -0.088 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.795 1.486 0.181 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.375 3.091 -0.216 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.075 2.750 1.743 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.315 1.218 3.491 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.738 0.332 2.006 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -9.030 0.612 2.419 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.285 3.517 3.311 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.045 2.902 2.192 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.078 4.268 1.710 1.00 10.00 H new ATOM 776 N ASN A 51 -12.349 3.379 -0.653 1.00 10.00 N ATOM 777 CA ASN A 51 -13.267 4.396 -1.187 1.00 10.00 C ATOM 778 C ASN A 51 -12.578 5.362 -2.147 1.00 10.00 C ATOM 779 O ASN A 51 -12.970 5.542 -3.296 1.00 10.00 O ATOM 780 CB ASN A 51 -13.898 5.198 -0.040 1.00 10.00 C ATOM 781 CG ASN A 51 -14.394 4.240 1.018 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.503 3.923 1.945 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.485 3.692 0.940 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.387 3.299 0.363 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.036 3.860 -1.744 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.166 5.884 0.387 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.723 5.805 -0.414 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.143 3.966 0.210 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.737 2.961 1.605 1.00 10.00 H new ATOM 790 N ALA A 52 -11.524 5.978 -1.623 1.00 10.00 N ATOM 791 CA ALA A 52 -10.642 6.882 -2.335 1.00 10.00 C ATOM 792 C ALA A 52 -9.392 6.162 -2.881 1.00 10.00 C ATOM 793 O ALA A 52 -8.396 6.825 -3.170 1.00 10.00 O ATOM 794 CB ALA A 52 -10.307 8.020 -1.369 1.00 10.00 C ATOM 0 H ALA A 52 -11.253 5.852 -0.648 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.129 7.283 -3.224 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.642 8.730 -1.860 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.225 8.527 -1.072 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.815 7.614 -0.485 1.00 10.00 H new ATOM 800 N MET A 53 -9.435 4.825 -3.031 1.00 10.00 N ATOM 801 CA MET A 53 -8.328 4.058 -3.625 1.00 10.00 C ATOM 802 C MET A 53 -8.752 3.096 -4.766 1.00 10.00 C ATOM 803 O MET A 53 -9.659 2.289 -4.587 1.00 10.00 O ATOM 804 CB MET A 53 -7.593 3.307 -2.505 1.00 10.00 C ATOM 805 CG MET A 53 -6.262 2.785 -3.045 1.00 10.00 C ATOM 806 SD MET A 53 -5.064 2.043 -1.917 1.00 10.00 S ATOM 807 CE MET A 53 -6.009 0.680 -1.231 1.00 10.00 C ATOM 0 H MET A 53 -10.230 4.252 -2.747 1.00 10.00 H new ATOM 0 HA MET A 53 -7.663 4.773 -4.109 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.421 3.970 -1.657 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.203 2.479 -2.144 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.490 2.043 -3.810 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.766 3.617 -3.545 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.432 0.198 -0.441 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.945 1.057 -0.818 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.225 -0.045 -2.016 1.00 10.00 H new ATOM 817 N PRO A 54 -8.084 3.103 -5.937 1.00 10.00 N ATOM 818 CA PRO A 54 -8.412 2.178 -7.022 1.00 10.00 C ATOM 819 C PRO A 54 -8.159 0.710 -6.631 1.00 10.00 C ATOM 820 O PRO A 54 -7.362 0.434 -5.728 1.00 10.00 O ATOM 821 CB PRO A 54 -7.546 2.616 -8.211 1.00 10.00 C ATOM 822 CG PRO A 54 -6.352 3.283 -7.540 1.00 10.00 C ATOM 823 CD PRO A 54 -6.963 3.950 -6.315 1.00 10.00 C ATOM 0 HA PRO A 54 -9.473 2.218 -7.268 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.242 1.767 -8.823 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.079 3.306 -8.865 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.589 2.556 -7.263 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.876 4.010 -8.198 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.237 4.027 -5.505 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.294 4.963 -6.543 1.00 10.00 H new ATOM 831 N PRO A 55 -8.822 -0.246 -7.307 1.00 10.00 N ATOM 832 CA PRO A 55 -8.699 -1.662 -6.994 1.00 10.00 C ATOM 833 C PRO A 55 -7.248 -2.111 -7.153 1.00 10.00 C ATOM 834 O PRO A 55 -6.544 -1.690 -8.074 1.00 10.00 O ATOM 835 CB PRO A 55 -9.657 -2.390 -7.942 1.00 10.00 C ATOM 836 CG PRO A 55 -9.763 -1.441 -9.135 1.00 10.00 C ATOM 837 CD PRO A 55 -9.647 -0.057 -8.491 1.00 10.00 C ATOM 0 HA PRO A 55 -8.964 -1.886 -5.961 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -9.267 -3.364 -8.237 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -10.628 -2.562 -7.478 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -8.968 -1.616 -9.860 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -10.709 -1.562 -9.663 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.192 0.658 -9.176 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -10.629 0.336 -8.226 1.00 10.00 H new ATOM 845 N GLY A 56 -6.759 -2.912 -6.205 1.00 10.00 N ATOM 846 CA GLY A 56 -5.368 -3.318 -6.216 1.00 10.00 C ATOM 847 C GLY A 56 -4.388 -2.157 -6.082 1.00 10.00 C ATOM 848 O GLY A 56 -3.265 -2.266 -6.574 1.00 10.00 O ATOM 0 H GLY A 56 -7.306 -3.285 -5.430 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.198 -4.021 -5.401 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.162 -3.850 -7.144 1.00 10.00 H new ATOM 852 N GLY A 57 -4.804 -1.067 -5.426 1.00 10.00 N ATOM 853 CA GLY A 57 -4.012 0.144 -5.220 1.00 10.00 C ATOM 854 C GLY A 57 -3.338 0.666 -6.494 1.00 10.00 C ATOM 855 O GLY A 57 -2.241 1.210 -6.420 1.00 10.00 O ATOM 0 H GLY A 57 -5.734 -1.005 -5.011 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.657 0.924 -4.815 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.246 -0.057 -4.471 1.00 10.00 H new ATOM 859 N MET A 58 -3.993 0.501 -7.650 1.00 10.00 N ATOM 860 CA MET A 58 -3.465 0.850 -8.972 1.00 10.00 C ATOM 861 C MET A 58 -2.343 -0.106 -9.418 1.00 10.00 C ATOM 862 O MET A 58 -1.318 0.312 -9.948 1.00 10.00 O ATOM 863 CB MET A 58 -3.080 2.344 -9.028 1.00 10.00 C ATOM 864 CG MET A 58 -3.188 3.000 -10.419 1.00 10.00 C ATOM 865 SD MET A 58 -1.696 3.089 -11.451 1.00 10.00 S ATOM 866 CE MET A 58 -2.020 1.794 -12.665 1.00 10.00 C ATOM 0 H MET A 58 -4.934 0.109 -7.691 1.00 10.00 H new ATOM 0 HA MET A 58 -4.256 0.711 -9.709 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.718 2.893 -8.335 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.055 2.452 -8.672 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.949 2.460 -10.982 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.556 4.016 -10.279 1.00 10.00 H new ATOM 0 HE1 MET A 58 -1.085 1.500 -13.142 1.00 10.00 H new ATOM 0 HE2 MET A 58 -2.461 0.930 -12.167 1.00 10.00 H new ATOM 0 HE3 MET A 58 -2.710 2.168 -13.421 1.00 10.00 H new ATOM 876 N CYS A 59 -2.558 -1.413 -9.244 1.00 10.00 N ATOM 877 CA CYS A 59 -1.765 -2.447 -9.911 1.00 10.00 C ATOM 878 C CYS A 59 -2.652 -3.429 -10.686 1.00 10.00 C ATOM 879 O CYS A 59 -2.416 -3.674 -11.867 1.00 10.00 O ATOM 880 CB CYS A 59 -0.878 -3.183 -8.909 1.00 10.00 C ATOM 881 SG CYS A 59 0.288 -4.301 -9.718 1.00 10.00 S ATOM 0 H CYS A 59 -3.288 -1.783 -8.636 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.120 -1.950 -10.636 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.327 -2.456 -8.313 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -1.504 -3.751 -8.221 1.00 10.00 H new ATOM 886 N THR A 60 -3.660 -4.002 -10.017 1.00 10.00 N ATOM 887 CA THR A 60 -4.592 -4.986 -10.580 1.00 10.00 C ATOM 888 C THR A 60 -3.886 -6.323 -10.832 1.00 10.00 C ATOM 889 O THR A 60 -4.118 -7.294 -10.114 1.00 10.00 O ATOM 890 CB THR A 60 -5.317 -4.443 -11.830 1.00 10.00 C ATOM 891 OG1 THR A 60 -5.873 -3.178 -11.537 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.466 -5.352 -12.271 1.00 10.00 C ATOM 0 H THR A 60 -3.855 -3.787 -9.039 1.00 10.00 H new ATOM 0 HA THR A 60 -5.373 -5.173 -9.843 1.00 10.00 H new ATOM 0 HB THR A 60 -4.577 -4.388 -12.629 1.00 10.00 H new ATOM 0 HG1 THR A 60 -6.332 -2.831 -12.330 1.00 10.00 H new ATOM 0 HG21 THR A 60 -6.946 -4.929 -13.154 1.00 10.00 H new ATOM 0 HG22 THR A 60 -6.076 -6.342 -12.509 1.00 10.00 H new ATOM 0 HG23 THR A 60 -7.195 -5.433 -11.465 1.00 10.00 H new ATOM 900 N ASP A 61 -2.982 -6.368 -11.811 1.00 10.00 N ATOM 901 CA ASP A 61 -2.211 -7.556 -12.150 1.00 10.00 C ATOM 902 C ASP A 61 -0.967 -7.676 -11.244 1.00 10.00 C ATOM 903 O ASP A 61 0.159 -7.749 -11.726 1.00 10.00 O ATOM 904 CB ASP A 61 -1.894 -7.479 -13.654 1.00 10.00 C ATOM 905 CG ASP A 61 -1.326 -8.773 -14.220 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.518 -9.822 -13.570 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.754 -8.690 -15.328 1.00 10.00 O ATOM 0 H ASP A 61 -2.764 -5.563 -12.399 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.772 -8.472 -11.967 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.804 -7.222 -14.197 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.182 -6.672 -13.827 1.00 10.00 H new ATOM 912 N CYS A 62 -1.180 -7.668 -9.921 1.00 10.00 N ATOM 913 CA CYS A 62 -0.157 -7.905 -8.894 1.00 10.00 C ATOM 914 C CYS A 62 -0.476 -9.200 -8.138 1.00 10.00 C ATOM 915 O CYS A 62 -1.631 -9.458 -7.805 1.00 10.00 O ATOM 916 CB CYS A 62 -0.105 -6.747 -7.885 1.00 10.00 C ATOM 917 SG CYS A 62 1.084 -5.413 -8.124 1.00 10.00 S ATOM 0 H CYS A 62 -2.102 -7.490 -9.523 1.00 10.00 H new ATOM 0 HA CYS A 62 0.809 -7.983 -9.394 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.098 -6.298 -7.852 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.082 -7.179 -6.902 1.00 10.00 H new ATOM 922 N THR A 63 0.557 -9.983 -7.819 1.00 10.00 N ATOM 923 CA THR A 63 0.455 -11.209 -7.024 1.00 10.00 C ATOM 924 C THR A 63 0.913 -10.928 -5.591 1.00 10.00 C ATOM 925 O THR A 63 1.808 -10.115 -5.391 1.00 10.00 O ATOM 926 CB THR A 63 1.331 -12.292 -7.671 1.00 10.00 C ATOM 927 OG1 THR A 63 0.939 -12.469 -9.016 1.00 10.00 O ATOM 928 CG2 THR A 63 1.206 -13.649 -6.979 1.00 10.00 C ATOM 0 H THR A 63 1.511 -9.777 -8.114 1.00 10.00 H new ATOM 0 HA THR A 63 -0.578 -11.556 -6.994 1.00 10.00 H new ATOM 0 HB THR A 63 2.362 -11.950 -7.584 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.498 -13.159 -9.432 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.848 -14.374 -7.480 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.510 -13.555 -5.936 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.171 -13.987 -7.026 1.00 10.00 H new ATOM 936 N ASP A 64 0.323 -11.587 -4.587 1.00 10.00 N ATOM 937 CA ASP A 64 0.655 -11.438 -3.175 1.00 10.00 C ATOM 938 C ASP A 64 2.158 -11.353 -2.865 1.00 10.00 C ATOM 939 O ASP A 64 2.543 -10.537 -2.041 1.00 10.00 O ATOM 940 CB ASP A 64 -0.047 -12.559 -2.418 1.00 10.00 C ATOM 941 CG ASP A 64 -1.486 -12.175 -2.120 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.693 -11.538 -1.065 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.338 -12.486 -2.977 1.00 10.00 O ATOM 0 H ASP A 64 -0.425 -12.262 -4.747 1.00 10.00 H new ATOM 0 HA ASP A 64 0.295 -10.465 -2.839 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.023 -13.475 -3.008 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.482 -12.765 -1.487 1.00 10.00 H new ATOM 948 N GLU A 65 3.016 -12.132 -3.527 1.00 10.00 N ATOM 949 CA GLU A 65 4.471 -11.953 -3.506 1.00 10.00 C ATOM 950 C GLU A 65 4.889 -10.470 -3.628 1.00 10.00 C ATOM 951 O GLU A 65 5.456 -9.880 -2.706 1.00 10.00 O ATOM 952 CB GLU A 65 5.055 -12.796 -4.651 1.00 10.00 C ATOM 953 CG GLU A 65 5.065 -14.295 -4.300 1.00 10.00 C ATOM 954 CD GLU A 65 6.386 -14.733 -3.676 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.511 -14.576 -2.442 1.00 10.00 O ATOM 956 OE2 GLU A 65 7.242 -15.210 -4.450 1.00 10.00 O ATOM 0 H GLU A 65 2.715 -12.918 -4.103 1.00 10.00 H new ATOM 0 HA GLU A 65 4.863 -12.284 -2.545 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.469 -12.637 -5.556 1.00 10.00 H new ATOM 0 HB3 GLU A 65 6.071 -12.465 -4.866 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.250 -14.510 -3.609 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.880 -14.879 -5.202 1.00 10.00 H new ATOM 963 N ASP A 66 4.568 -9.852 -4.761 1.00 10.00 N ATOM 964 CA ASP A 66 4.923 -8.496 -5.136 1.00 10.00 C ATOM 965 C ASP A 66 4.076 -7.502 -4.334 1.00 10.00 C ATOM 966 O ASP A 66 4.582 -6.491 -3.856 1.00 10.00 O ATOM 967 CB ASP A 66 4.687 -8.345 -6.651 1.00 10.00 C ATOM 968 CG ASP A 66 5.039 -9.577 -7.465 1.00 10.00 C ATOM 969 OD1 ASP A 66 4.272 -10.558 -7.331 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.042 -9.514 -8.205 1.00 10.00 O ATOM 0 H ASP A 66 4.019 -10.318 -5.483 1.00 10.00 H new ATOM 0 HA ASP A 66 5.970 -8.289 -4.914 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.639 -8.099 -6.821 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.275 -7.503 -7.016 1.00 10.00 H new ATOM 975 N TYR A 67 2.787 -7.811 -4.143 1.00 10.00 N ATOM 976 CA TYR A 67 1.863 -6.996 -3.371 1.00 10.00 C ATOM 977 C TYR A 67 2.381 -6.827 -1.940 1.00 10.00 C ATOM 978 O TYR A 67 2.657 -5.713 -1.509 1.00 10.00 O ATOM 979 CB TYR A 67 0.462 -7.638 -3.388 1.00 10.00 C ATOM 980 CG TYR A 67 -0.630 -6.917 -4.152 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.725 -5.513 -4.130 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.589 -7.669 -4.859 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.631 -4.863 -4.981 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.538 -7.015 -5.662 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.503 -5.619 -5.776 1.00 10.00 C ATOM 986 OH TYR A 67 -3.148 -5.012 -6.803 1.00 10.00 O ATOM 0 H TYR A 67 2.357 -8.651 -4.531 1.00 10.00 H new ATOM 0 HA TYR A 67 1.789 -6.005 -3.820 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.557 -8.641 -3.804 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.131 -7.751 -2.355 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.103 -4.938 -3.460 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.594 -8.746 -4.784 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.656 -3.784 -5.023 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.290 -7.585 -6.188 1.00 10.00 H new ATOM 0 HH TYR A 67 -2.966 -4.049 -6.780 1.00 10.00 H new ATOM 996 N LYS A 68 2.572 -7.935 -1.220 1.00 10.00 N ATOM 997 CA LYS A 68 3.091 -7.956 0.142 1.00 10.00 C ATOM 998 C LYS A 68 4.471 -7.317 0.167 1.00 10.00 C ATOM 999 O LYS A 68 4.725 -6.443 0.983 1.00 10.00 O ATOM 1000 CB LYS A 68 3.076 -9.358 0.784 1.00 10.00 C ATOM 1001 CG LYS A 68 4.319 -10.214 0.484 1.00 10.00 C ATOM 1002 CD LYS A 68 4.261 -11.590 1.156 1.00 10.00 C ATOM 1003 CE LYS A 68 5.081 -11.580 2.453 1.00 10.00 C ATOM 1004 NZ LYS A 68 5.172 -12.936 3.032 1.00 10.00 N ATOM 0 H LYS A 68 2.363 -8.866 -1.582 1.00 10.00 H new ATOM 0 HA LYS A 68 2.418 -7.366 0.765 1.00 10.00 H new ATOM 0 HB2 LYS A 68 2.979 -9.247 1.864 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.191 -9.892 0.438 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.415 -10.344 -0.594 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.210 -9.685 0.822 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.226 -11.854 1.373 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.648 -12.351 0.478 1.00 10.00 H new ATOM 0 HE2 LYS A 68 6.082 -11.199 2.252 1.00 10.00 H new ATOM 0 HE3 LYS A 68 4.621 -10.903 3.173 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 5.731 -12.903 3.908 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 4.217 -13.288 3.244 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 5.632 -13.574 2.352 1.00 10.00 H new ATOM 1018 N ALA A 69 5.357 -7.673 -0.767 1.00 10.00 N ATOM 1019 CA ALA A 69 6.642 -6.998 -0.862 1.00 10.00 C ATOM 1020 C ALA A 69 6.494 -5.467 -1.005 1.00 10.00 C ATOM 1021 O ALA A 69 7.360 -4.710 -0.572 1.00 10.00 O ATOM 1022 CB ALA A 69 7.474 -7.650 -1.965 1.00 10.00 C ATOM 0 H ALA A 69 5.207 -8.412 -1.454 1.00 10.00 H new ATOM 0 HA ALA A 69 7.185 -7.123 0.075 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.438 -7.147 -2.039 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.631 -8.702 -1.728 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.947 -7.567 -2.916 1.00 10.00 H new ATOM 1028 N ALA A 70 5.367 -4.993 -1.554 1.00 10.00 N ATOM 1029 CA ALA A 70 5.110 -3.586 -1.875 1.00 10.00 C ATOM 1030 C ALA A 70 4.488 -2.821 -0.709 1.00 10.00 C ATOM 1031 O ALA A 70 4.319 -1.615 -0.808 1.00 10.00 O ATOM 1032 CB ALA A 70 4.294 -3.446 -3.165 1.00 10.00 C ATOM 0 H ALA A 70 4.584 -5.601 -1.794 1.00 10.00 H new ATOM 0 HA ALA A 70 6.079 -3.120 -2.054 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.121 -2.390 -3.374 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.843 -3.895 -3.993 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.337 -3.954 -3.047 1.00 10.00 H new ATOM 1038 N ILE A 71 4.134 -3.517 0.372 1.00 10.00 N ATOM 1039 CA ILE A 71 3.771 -2.945 1.667 1.00 10.00 C ATOM 1040 C ILE A 71 4.890 -3.192 2.693 1.00 10.00 C ATOM 1041 O ILE A 71 5.250 -2.312 3.481 1.00 10.00 O ATOM 1042 CB ILE A 71 2.387 -3.479 2.082 1.00 10.00 C ATOM 1043 CG1 ILE A 71 2.124 -3.432 3.580 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.100 -4.905 1.663 1.00 10.00 C ATOM 1045 CD1 ILE A 71 2.464 -4.692 4.387 1.00 10.00 C ATOM 0 H ILE A 71 4.091 -4.536 0.368 1.00 10.00 H new ATOM 0 HA ILE A 71 3.678 -1.861 1.606 1.00 10.00 H new ATOM 0 HB ILE A 71 1.733 -2.790 1.547 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.690 -2.599 3.997 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.068 -3.207 3.732 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.103 -5.190 2.000 1.00 10.00 H new ATOM 0 HG22 ILE A 71 2.152 -4.983 0.577 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.838 -5.571 2.110 1.00 10.00 H new ATOM 0 HD11 ILE A 71 2.229 -4.525 5.438 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.879 -5.532 4.013 1.00 10.00 H new ATOM 0 HD13 ILE A 71 3.526 -4.915 4.283 1.00 10.00 H new ATOM 1057 N GLU A 72 5.482 -4.387 2.661 1.00 10.00 N ATOM 1058 CA GLU A 72 6.612 -4.752 3.504 1.00 10.00 C ATOM 1059 C GLU A 72 7.780 -3.784 3.309 1.00 10.00 C ATOM 1060 O GLU A 72 8.337 -3.311 4.301 1.00 10.00 O ATOM 1061 CB GLU A 72 6.943 -6.252 3.399 1.00 10.00 C ATOM 1062 CG GLU A 72 8.088 -6.609 2.440 1.00 10.00 C ATOM 1063 CD GLU A 72 9.465 -6.542 3.086 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.682 -7.345 4.019 1.00 10.00 O ATOM 1065 OE2 GLU A 72 10.263 -5.701 2.625 1.00 10.00 O ATOM 0 H GLU A 72 5.182 -5.137 2.038 1.00 10.00 H new ATOM 0 HA GLU A 72 6.338 -4.629 4.552 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.196 -6.621 4.393 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.046 -6.783 3.080 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.926 -7.615 2.052 1.00 10.00 H new ATOM 0 HG3 GLU A 72 8.062 -5.930 1.587 1.00 10.00 H new ATOM 1072 N PHE A 73 8.039 -3.385 2.053 1.00 10.00 N ATOM 1073 CA PHE A 73 9.070 -2.399 1.741 1.00 10.00 C ATOM 1074 C PHE A 73 8.924 -1.103 2.555 1.00 10.00 C ATOM 1075 O PHE A 73 9.919 -0.498 2.946 1.00 10.00 O ATOM 1076 CB PHE A 73 9.055 -2.105 0.238 1.00 10.00 C ATOM 1077 CG PHE A 73 10.204 -1.235 -0.228 1.00 10.00 C ATOM 1078 CD1 PHE A 73 11.406 -1.836 -0.643 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.093 0.168 -0.212 1.00 10.00 C ATOM 1080 CE1 PHE A 73 12.466 -1.042 -1.115 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.168 0.964 -0.646 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.337 0.358 -1.137 1.00 10.00 C ATOM 0 H PHE A 73 7.541 -3.737 1.236 1.00 10.00 H new ATOM 0 HA PHE A 73 10.032 -2.826 2.024 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.082 -3.048 -0.307 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.115 -1.616 -0.017 1.00 10.00 H new ATOM 0 HD1 PHE A 73 11.515 -2.910 -0.599 1.00 10.00 H new ATOM 0 HD2 PHE A 73 9.182 0.633 0.134 1.00 10.00 H new ATOM 0 HE1 PHE A 73 13.378 -1.507 -1.460 1.00 10.00 H new ATOM 0 HE2 PHE A 73 11.095 2.041 -0.602 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.136 0.968 -1.531 1.00 10.00 H new ATOM 1092 N MET A 74 7.685 -0.663 2.809 1.00 10.00 N ATOM 1093 CA MET A 74 7.444 0.523 3.616 1.00 10.00 C ATOM 1094 C MET A 74 7.662 0.244 5.105 1.00 10.00 C ATOM 1095 O MET A 74 8.549 0.841 5.713 1.00 10.00 O ATOM 1096 CB MET A 74 6.029 1.049 3.388 1.00 10.00 C ATOM 1097 CG MET A 74 5.831 1.737 2.031 1.00 10.00 C ATOM 1098 SD MET A 74 5.483 0.717 0.584 1.00 10.00 S ATOM 1099 CE MET A 74 3.694 0.981 0.366 1.00 10.00 C ATOM 0 H MET A 74 6.839 -1.116 2.464 1.00 10.00 H new ATOM 0 HA MET A 74 8.162 1.281 3.304 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.326 0.220 3.469 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.782 1.755 4.181 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.013 2.449 2.138 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.731 2.315 1.819 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.410 0.722 -0.654 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.145 0.352 1.067 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.455 2.028 0.554 1.00 10.00 H new ATOM 1109 N SER A 75 6.824 -0.607 5.717 1.00 10.00 N ATOM 1110 CA SER A 75 6.981 -0.872 7.158 1.00 10.00 C ATOM 1111 C SER A 75 6.179 -2.086 7.620 1.00 10.00 C ATOM 1112 O SER A 75 5.648 -2.099 8.729 1.00 10.00 O ATOM 1113 CB SER A 75 6.629 0.371 8.006 1.00 10.00 C ATOM 1114 OG SER A 75 7.271 0.296 9.267 1.00 10.00 O ATOM 0 H SER A 75 6.060 -1.106 5.261 1.00 10.00 H new ATOM 0 HA SER A 75 8.035 -1.104 7.313 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.939 1.277 7.484 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.549 0.435 8.142 1.00 10.00 H new ATOM 0 HG SER A 75 7.049 -0.556 9.697 1.00 10.00 H new ATOM 1120 N LYS A 76 6.075 -3.110 6.764 1.00 10.00 N ATOM 1121 CA LYS A 76 5.283 -4.313 7.024 1.00 10.00 C ATOM 1122 C LYS A 76 3.970 -4.027 7.770 1.00 10.00 C ATOM 1123 O LYS A 76 3.663 -4.671 8.769 1.00 10.00 O ATOM 1124 CB LYS A 76 6.173 -5.421 7.625 1.00 10.00 C ATOM 1125 CG LYS A 76 7.045 -4.953 8.800 1.00 10.00 C ATOM 1126 CD LYS A 76 7.959 -6.065 9.334 1.00 10.00 C ATOM 1127 CE LYS A 76 7.180 -7.115 10.135 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.098 -8.029 10.848 1.00 10.00 N ATOM 0 H LYS A 76 6.546 -3.124 5.859 1.00 10.00 H new ATOM 0 HA LYS A 76 4.924 -4.708 6.074 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.538 -6.241 7.961 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.819 -5.819 6.842 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.655 -4.108 8.481 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.403 -4.597 9.606 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.466 -6.549 8.499 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.732 -5.627 9.966 1.00 10.00 H new ATOM 0 HE2 LYS A 76 6.526 -6.619 10.852 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.540 -7.688 9.464 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 7.545 -8.729 11.382 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.704 -8.519 10.159 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 8.691 -7.483 11.505 1.00 10.00 H new ATOM 1142 N ALA A 77 3.189 -3.073 7.239 1.00 10.00 N ATOM 1143 CA ALA A 77 1.829 -2.800 7.690 1.00 10.00 C ATOM 1144 C ALA A 77 0.848 -2.462 6.553 1.00 10.00 C ATOM 1145 O ALA A 77 0.095 -3.332 6.129 1.00 10.00 O ATOM 1146 CB ALA A 77 1.839 -1.748 8.795 1.00 10.00 C ATOM 0 H ALA A 77 3.494 -2.467 6.477 1.00 10.00 H new ATOM 0 HA ALA A 77 1.441 -3.729 8.107 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.817 -1.554 9.122 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.427 -2.111 9.638 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.280 -0.826 8.416 1.00 10.00 H new ATOM 1152 N LYS A 78 0.817 -1.205 6.100 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.253 -0.642 5.265 1.00 10.00 C ATOM 1154 C LYS A 78 0.154 -0.250 3.828 1.00 10.00 C ATOM 1155 O LYS A 78 -0.585 0.546 3.214 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.899 0.520 6.051 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.160 1.866 5.947 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.880 2.894 5.048 1.00 10.00 C ATOM 1159 CE LYS A 78 0.080 3.625 4.096 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.545 2.722 3.022 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.209 -0.678 3.328 1.00 10.00 O ATOM 0 H LYS A 78 1.554 -0.532 6.308 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.980 -1.432 5.079 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.921 0.655 5.696 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.962 0.237 7.102 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.044 2.286 6.946 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.843 1.692 5.556 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.647 2.385 4.464 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.390 3.625 5.675 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.422 4.488 3.659 1.00 10.00 H new ATOM 0 HE3 LYS A 78 0.936 4.003 4.655 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 0.610 3.250 2.128 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 1.481 2.342 3.269 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -0.129 1.938 2.912 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.680 3.618 -0.761 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.426 4.057 2.260 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.017 0.909 0.588 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.126 3.143 -3.781 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.184 6.545 -1.958 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.772 2.622 1.046 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.571 2.959 2.111 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.348 1.967 3.134 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.486 1.033 2.613 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.015 1.526 1.348 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.268 -0.361 3.138 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.013 1.900 4.488 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.461 1.399 4.430 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.607 0.078 3.688 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.585 0.103 2.437 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.763 -0.941 4.391 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.265 2.283 -1.452 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.713 1.285 -0.714 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.739 0.622 -1.539 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.840 1.186 -2.797 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.787 2.278 -2.720 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.191 -0.492 -1.081 1.00 10.00 C HETATM 1198 CAB HEC A 90 0.014 0.850 -3.993 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.060 -0.622 -4.435 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.671 4.662 -2.568 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.992 4.248 -3.672 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.316 5.171 -4.742 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.151 6.144 -4.212 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.371 5.804 -2.825 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.825 5.070 -6.172 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.803 7.343 -4.897 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.864 7.318 -6.422 1.00 10.00 C HETATM 1208 ND HEC A 90 -5.029 5.073 0.033 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.465 6.169 -0.646 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.328 6.913 0.239 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.458 6.190 1.403 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.594 5.035 1.281 1.00 10.00 C HETATM 1213 CMD HEC A 90 -7.004 8.223 -0.081 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.472 6.469 2.497 1.00 10.00 C HETATM 1215 CBD HEC A 90 -7.051 7.481 3.569 1.00 10.00 C HETATM 1216 CGD HEC A 90 -8.229 7.904 4.434 1.00 10.00 C HETATM 1217 O1D HEC A 90 -9.264 8.276 3.841 1.00 10.00 O HETATM 1218 O2D HEC A 90 -8.076 7.832 5.672 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.249 8.976 -0.309 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.659 8.093 -0.942 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.593 8.548 0.777 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.736 5.111 -6.187 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.158 4.127 -6.605 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.227 5.899 -6.754 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.819 -0.130 -0.267 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.400 -1.340 -0.734 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.821 -0.805 -1.914 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.913 -0.311 4.167 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.207 -0.913 3.105 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.526 -0.870 2.522 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.275 7.044 4.198 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.616 8.359 3.091 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.853 7.263 -6.826 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.433 6.448 -6.749 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.350 8.225 -6.782 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.271 -1.264 -3.619 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.088 -0.871 -4.699 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.584 -0.775 -5.301 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.840 1.282 5.445 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -7.081 2.152 3.944 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.390 6.827 2.030 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.711 5.527 2.990 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.434 1.242 5.137 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.997 2.891 4.942 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.623 7.470 -2.332 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.685 2.941 -4.757 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.450 0.094 1.039 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.989 4.152 3.188 1.00 10.00 H new HETATM 0 H2D HEC A 90 -8.791 8.331 6.120 1.00 10.00 H new HETATM 0 H2A HEC A 90 -7.698 -1.000 4.678 1.00 10.00 H new