USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 781 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 Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0788) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.273 (180deg=-0.541) USER MOD Single : A 24 ASN :FLIP amide:sc= 0.0927 F(o=-1.1,f=0.093) USER MOD Single : A 26 GLN : amide:sc= -0.413 K(o=-0.41,f=-8.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -1.08 (180deg=-1.23) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 71:sc= -0.5 USER MOD Single : A 40 SER OG : rot 11:sc= 0.477! USER MOD Single : A 44 THR OG1 : rot -166:sc= -0.0229 USER MOD Single : A 48 SER OG : rot 180:sc= -0.847 USER MOD Single : A 52 TYR OH : rot 165:sc= -0.2 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.08 K(o=-3.1,f=-12!) USER MOD Single : A 64 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.68) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.45! C(o=-3.4!,f=-8.1!) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= -0.264 (180deg=-0.287) USER MOD Single : A 86 SER OG : rot 73:sc= 0.0736 USER MOD Single : A 87 GLN : amide:sc= -2.51 K(o=-2.5,f=-3.8!) USER MOD Single : A 92 SER OG : rot 89:sc= 0.00619 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 63:sc= -0.118! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 178:sc= -0.558 (180deg=-0.575) USER MOD Single : A 102 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 104 SER OG : rot -31:sc= -1.12 USER MOD Single : A 110 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -4.605 -15.437 -11.806 1.00 0.00 N ATOM 2 CA LYS A 17 -5.584 -15.873 -10.817 1.00 0.00 C ATOM 3 C LYS A 17 -6.577 -14.757 -10.507 1.00 0.00 C ATOM 4 O LYS A 17 -6.194 -13.678 -10.055 1.00 0.00 O ATOM 5 CB LYS A 17 -4.880 -16.320 -9.533 1.00 0.00 C ATOM 6 CG LYS A 17 -5.515 -17.538 -8.883 1.00 0.00 C ATOM 7 CD LYS A 17 -4.467 -18.537 -8.424 1.00 0.00 C ATOM 8 CE LYS A 17 -4.980 -19.401 -7.284 1.00 0.00 C ATOM 9 NZ LYS A 17 -6.235 -20.115 -7.651 1.00 0.00 N ATOM 0 HA LYS A 17 -6.133 -16.718 -11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.837 -16.542 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.884 -15.495 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.117 -17.224 -8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.191 -18.018 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.178 -19.172 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.572 -18.005 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.216 -20.128 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.160 -18.778 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.479 -20.795 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.007 -19.427 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.096 -20.623 -8.548 1.00 0.00 H new ATOM 23 N ARG A 18 -7.857 -15.026 -10.752 1.00 0.00 N ATOM 24 CA ARG A 18 -8.906 -14.046 -10.499 1.00 0.00 C ATOM 25 C ARG A 18 -8.695 -12.791 -11.342 1.00 0.00 C ATOM 26 O ARG A 18 -7.627 -12.593 -11.921 1.00 0.00 O ATOM 27 CB ARG A 18 -8.944 -13.678 -9.014 1.00 0.00 C ATOM 28 CG ARG A 18 -9.894 -14.541 -8.198 1.00 0.00 C ATOM 29 CD ARG A 18 -10.778 -13.699 -7.291 1.00 0.00 C ATOM 30 NE ARG A 18 -11.855 -14.485 -6.693 1.00 0.00 N ATOM 31 CZ ARG A 18 -12.636 -14.044 -5.710 1.00 0.00 C ATOM 32 NH1 ARG A 18 -12.467 -12.823 -5.215 1.00 0.00 N ATOM 33 NH2 ARG A 18 -13.592 -14.823 -5.222 1.00 0.00 N ATOM 0 H ARG A 18 -8.191 -15.914 -11.125 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.860 -14.493 -10.779 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.939 -13.767 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.239 -12.633 -8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.518 -15.131 -8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.320 -15.245 -7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.170 -13.257 -6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.205 -12.876 -7.864 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.018 -15.427 -7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.736 -12.218 -5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.069 -12.490 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.729 -15.760 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.191 -14.485 -4.468 1.00 0.00 H new ATOM 47 N VAL A 19 -9.723 -11.951 -11.408 1.00 0.00 N ATOM 48 CA VAL A 19 -9.653 -10.717 -12.182 1.00 0.00 C ATOM 49 C VAL A 19 -9.176 -9.552 -11.319 1.00 0.00 C ATOM 50 O VAL A 19 -9.252 -9.604 -10.092 1.00 0.00 O ATOM 51 CB VAL A 19 -11.020 -10.359 -12.794 1.00 0.00 C ATOM 52 CG1 VAL A 19 -10.876 -9.230 -13.805 1.00 0.00 C ATOM 53 CG2 VAL A 19 -11.654 -11.583 -13.438 1.00 0.00 C ATOM 0 H VAL A 19 -10.614 -12.102 -10.935 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.937 -10.889 -12.985 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.676 -10.016 -11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.853 -8.992 -14.226 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.469 -8.348 -13.310 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.203 -9.541 -14.604 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.619 -11.311 -13.865 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.001 -11.959 -14.226 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.796 -12.358 -12.685 1.00 0.00 H new ATOM 63 N GLY A 20 -8.684 -8.503 -11.972 1.00 0.00 N ATOM 64 CA GLY A 20 -8.202 -7.339 -11.251 1.00 0.00 C ATOM 65 C GLY A 20 -7.455 -6.371 -12.147 1.00 0.00 C ATOM 66 O GLY A 20 -6.819 -6.779 -13.118 1.00 0.00 O ATOM 0 H GLY A 20 -8.611 -8.439 -12.987 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.046 -6.826 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.546 -7.662 -10.443 1.00 0.00 H new ATOM 70 N LYS A 21 -7.535 -5.084 -11.823 1.00 0.00 N ATOM 71 CA LYS A 21 -6.870 -4.055 -12.602 1.00 0.00 C ATOM 72 C LYS A 21 -5.879 -3.278 -11.737 1.00 0.00 C ATOM 73 O LYS A 21 -6.199 -2.882 -10.615 1.00 0.00 O ATOM 74 CB LYS A 21 -7.911 -3.109 -13.200 1.00 0.00 C ATOM 75 CG LYS A 21 -7.313 -1.903 -13.893 1.00 0.00 C ATOM 76 CD LYS A 21 -7.409 -0.662 -13.022 1.00 0.00 C ATOM 77 CE LYS A 21 -6.353 0.366 -13.394 1.00 0.00 C ATOM 78 NZ LYS A 21 -6.954 1.615 -13.937 1.00 0.00 N ATOM 0 H LYS A 21 -8.058 -4.732 -11.021 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.313 -4.530 -13.410 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.522 -3.661 -13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.577 -2.768 -12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.269 -2.100 -14.135 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.831 -1.729 -14.836 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.400 -0.220 -13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.292 -0.942 -11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.755 0.605 -12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.676 -0.062 -14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.245 2.376 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.268 1.452 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.769 1.891 -13.353 1.00 0.00 H new ATOM 92 N ARG A 22 -4.675 -3.069 -12.262 1.00 0.00 N ATOM 93 CA ARG A 22 -3.637 -2.344 -11.534 1.00 0.00 C ATOM 94 C ARG A 22 -3.741 -0.843 -11.786 1.00 0.00 C ATOM 95 O ARG A 22 -3.785 -0.399 -12.933 1.00 0.00 O ATOM 96 CB ARG A 22 -2.246 -2.844 -11.939 1.00 0.00 C ATOM 97 CG ARG A 22 -2.228 -4.280 -12.443 1.00 0.00 C ATOM 98 CD ARG A 22 -0.859 -4.917 -12.264 1.00 0.00 C ATOM 99 NE ARG A 22 -0.728 -6.154 -13.034 1.00 0.00 N ATOM 100 CZ ARG A 22 -0.475 -6.192 -14.339 1.00 0.00 C ATOM 101 NH1 ARG A 22 -0.327 -5.066 -15.027 1.00 0.00 N ATOM 102 NH2 ARG A 22 -0.371 -7.358 -14.961 1.00 0.00 N ATOM 0 H ARG A 22 -4.394 -3.391 -13.188 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.785 -2.529 -10.470 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.849 -2.192 -12.717 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.578 -2.762 -11.082 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.975 -4.864 -11.906 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.505 -4.300 -13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.087 -4.213 -12.575 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.692 -5.127 -11.208 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.837 -7.040 -12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.407 -4.165 -14.555 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.133 -5.102 -16.028 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.485 -8.227 -14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.177 -7.387 -15.962 1.00 0.00 H new ATOM 116 N LEU A 23 -3.778 -0.066 -10.707 1.00 0.00 N ATOM 117 CA LEU A 23 -3.878 1.387 -10.816 1.00 0.00 C ATOM 118 C LEU A 23 -2.548 2.055 -10.478 1.00 0.00 C ATOM 119 O LEU A 23 -1.824 1.607 -9.589 1.00 0.00 O ATOM 120 CB LEU A 23 -4.970 1.931 -9.887 1.00 0.00 C ATOM 121 CG LEU A 23 -6.156 0.993 -9.634 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.578 1.044 -8.172 1.00 0.00 C ATOM 123 CD2 LEU A 23 -7.323 1.357 -10.541 1.00 0.00 C ATOM 0 H LEU A 23 -3.740 -0.416 -9.750 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.139 1.619 -11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.515 2.178 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.350 2.861 -10.309 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.845 -0.026 -9.864 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.421 0.372 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.744 0.736 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.872 2.061 -7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.157 0.682 -10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.633 2.383 -10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.016 1.267 -11.583 1.00 0.00 H new ATOM 135 N ASN A 24 -2.242 3.137 -11.185 1.00 0.00 N ATOM 136 CA ASN A 24 -1.009 3.882 -10.955 1.00 0.00 C ATOM 137 C ASN A 24 -1.317 5.205 -10.262 1.00 0.00 C ATOM 138 O ASN A 24 -2.079 6.023 -10.782 1.00 0.00 O ATOM 139 CB ASN A 24 -0.282 4.139 -12.276 1.00 0.00 C ATOM 140 CG ASN A 24 -1.215 4.633 -13.365 1.00 0.00 C ATOM 141 OD1 ASN A 24 -1.317 3.871 -14.447 1.00 0.00 O flip ATOM 142 ND2 ASN A 24 -1.836 5.687 -13.236 1.00 0.00 N flip ATOM 0 H ASN A 24 -2.832 3.519 -11.924 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.360 3.287 -10.312 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.506 4.874 -12.116 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.202 3.220 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.728 6.242 -12.387 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.459 6.006 -13.978 1.00 0.00 H new ATOM 149 N ILE A 25 -0.742 5.409 -9.082 1.00 0.00 N ATOM 150 CA ILE A 25 -0.982 6.631 -8.326 1.00 0.00 C ATOM 151 C ILE A 25 0.323 7.291 -7.889 1.00 0.00 C ATOM 152 O ILE A 25 1.326 6.619 -7.654 1.00 0.00 O ATOM 153 CB ILE A 25 -1.851 6.345 -7.086 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.164 5.679 -7.508 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.128 7.628 -6.313 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.236 4.208 -7.162 1.00 0.00 C ATOM 0 H ILE A 25 -0.110 4.748 -8.631 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.510 7.317 -8.989 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.307 5.666 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.995 6.197 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.292 5.797 -8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.743 7.402 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.185 8.067 -5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.654 8.334 -6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.193 3.803 -7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.427 3.676 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.140 4.083 -6.083 1.00 0.00 H new ATOM 168 N GLN A 26 0.293 8.616 -7.780 1.00 0.00 N ATOM 169 CA GLN A 26 1.462 9.385 -7.364 1.00 0.00 C ATOM 170 C GLN A 26 1.070 10.390 -6.287 1.00 0.00 C ATOM 171 O GLN A 26 -0.033 10.936 -6.311 1.00 0.00 O ATOM 172 CB GLN A 26 2.075 10.111 -8.563 1.00 0.00 C ATOM 173 CG GLN A 26 2.277 9.220 -9.777 1.00 0.00 C ATOM 174 CD GLN A 26 1.257 9.482 -10.868 1.00 0.00 C ATOM 175 OE1 GLN A 26 0.087 9.126 -10.740 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.700 10.112 -11.950 1.00 0.00 N ATOM 0 H GLN A 26 -0.533 9.182 -7.975 1.00 0.00 H new ATOM 0 HA GLN A 26 2.204 8.699 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.431 10.946 -8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.036 10.533 -8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.279 9.377 -10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.216 8.176 -9.471 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.680 10.389 -12.014 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.061 10.319 -12.717 1.00 0.00 H new ATOM 185 N LEU A 27 1.964 10.622 -5.332 1.00 0.00 N ATOM 186 CA LEU A 27 1.675 11.554 -4.245 1.00 0.00 C ATOM 187 C LEU A 27 2.863 12.448 -3.910 1.00 0.00 C ATOM 188 O LEU A 27 3.896 11.971 -3.437 1.00 0.00 O ATOM 189 CB LEU A 27 1.248 10.786 -2.997 1.00 0.00 C ATOM 190 CG LEU A 27 0.021 9.898 -3.182 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.088 8.893 -2.046 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.235 10.749 -3.272 1.00 0.00 C ATOM 0 H LEU A 27 2.884 10.184 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 27 0.865 12.198 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.081 10.166 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.045 11.500 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 27 0.129 9.344 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.969 8.269 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.803 8.265 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.176 9.424 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.103 10.103 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.349 11.328 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.155 11.427 -4.121 1.00 0.00 H new ATOM 204 N LYS A 28 2.698 13.749 -4.132 1.00 0.00 N ATOM 205 CA LYS A 28 3.741 14.717 -3.828 1.00 0.00 C ATOM 206 C LYS A 28 3.861 14.909 -2.324 1.00 0.00 C ATOM 207 O LYS A 28 3.021 15.561 -1.704 1.00 0.00 O ATOM 208 CB LYS A 28 3.443 16.059 -4.497 1.00 0.00 C ATOM 209 CG LYS A 28 4.539 17.091 -4.281 1.00 0.00 C ATOM 210 CD LYS A 28 5.880 16.573 -4.763 1.00 0.00 C ATOM 211 CE LYS A 28 6.980 17.606 -4.577 1.00 0.00 C ATOM 212 NZ LYS A 28 7.966 17.577 -5.692 1.00 0.00 N ATOM 0 H LYS A 28 1.848 14.156 -4.523 1.00 0.00 H new ATOM 0 HA LYS A 28 4.685 14.333 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.306 15.902 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.502 16.450 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.288 18.009 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.602 17.343 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.137 15.665 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.809 16.303 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.537 18.600 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.494 17.422 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.699 18.296 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.408 16.637 -5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.481 17.778 -6.590 1.00 0.00 H new ATOM 226 N LYS A 29 4.904 14.334 -1.740 1.00 0.00 N ATOM 227 CA LYS A 29 5.125 14.441 -0.305 1.00 0.00 C ATOM 228 C LYS A 29 5.196 15.900 0.136 1.00 0.00 C ATOM 229 O LYS A 29 5.819 16.730 -0.526 1.00 0.00 O ATOM 230 CB LYS A 29 6.411 13.716 0.087 1.00 0.00 C ATOM 231 CG LYS A 29 6.503 13.423 1.573 1.00 0.00 C ATOM 232 CD LYS A 29 7.063 12.038 1.839 1.00 0.00 C ATOM 233 CE LYS A 29 6.918 11.649 3.300 1.00 0.00 C ATOM 234 NZ LYS A 29 5.491 11.504 3.697 1.00 0.00 N ATOM 0 H LYS A 29 5.609 13.790 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 29 4.280 13.973 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.475 12.779 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.267 14.321 -0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.136 14.170 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.514 13.508 2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.546 11.309 1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.115 12.010 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.442 10.710 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.394 12.404 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.434 11.031 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.051 12.444 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.989 10.935 2.986 1.00 0.00 H new ATOM 248 N GLY A 30 4.553 16.204 1.258 1.00 0.00 N ATOM 249 CA GLY A 30 4.552 17.559 1.772 1.00 0.00 C ATOM 250 C GLY A 30 4.450 17.609 3.283 1.00 0.00 C ATOM 251 O GLY A 30 5.360 18.091 3.959 1.00 0.00 O ATOM 0 H GLY A 30 4.031 15.533 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.465 18.064 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.717 18.108 1.337 1.00 0.00 H new ATOM 255 N THR A 31 3.340 17.105 3.817 1.00 0.00 N ATOM 256 CA THR A 31 3.124 17.093 5.259 1.00 0.00 C ATOM 257 C THR A 31 2.125 16.007 5.651 1.00 0.00 C ATOM 258 O THR A 31 1.373 15.510 4.814 1.00 0.00 O ATOM 259 CB THR A 31 2.621 18.458 5.732 1.00 0.00 C ATOM 260 OG1 THR A 31 1.749 19.031 4.775 1.00 0.00 O ATOM 261 CG2 THR A 31 3.735 19.450 5.990 1.00 0.00 C ATOM 0 H THR A 31 2.578 16.700 3.273 1.00 0.00 H new ATOM 0 HA THR A 31 4.077 16.877 5.742 1.00 0.00 H new ATOM 0 HB THR A 31 2.103 18.265 6.672 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.437 19.902 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.309 20.397 6.322 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.398 19.060 6.762 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.300 19.609 5.072 1.00 0.00 H new ATOM 269 N GLU A 32 2.126 15.642 6.930 1.00 0.00 N ATOM 270 CA GLU A 32 1.221 14.615 7.434 1.00 0.00 C ATOM 271 C GLU A 32 1.448 13.289 6.712 1.00 0.00 C ATOM 272 O GLU A 32 0.521 12.714 6.143 1.00 0.00 O ATOM 273 CB GLU A 32 -0.233 15.063 7.268 1.00 0.00 C ATOM 274 CG GLU A 32 -0.587 16.297 8.081 1.00 0.00 C ATOM 275 CD GLU A 32 -1.659 17.143 7.421 1.00 0.00 C ATOM 276 OE1 GLU A 32 -1.306 18.016 6.601 1.00 0.00 O ATOM 277 OE2 GLU A 32 -2.852 16.932 7.725 1.00 0.00 O ATOM 0 H GLU A 32 2.744 16.043 7.636 1.00 0.00 H new ATOM 0 HA GLU A 32 1.428 14.468 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.424 15.266 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.892 14.245 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.929 15.990 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.309 16.901 8.227 1.00 0.00 H new ATOM 284 N GLY A 33 2.688 12.811 6.740 1.00 0.00 N ATOM 285 CA GLY A 33 3.014 11.558 6.082 1.00 0.00 C ATOM 286 C GLY A 33 2.646 11.564 4.612 1.00 0.00 C ATOM 287 O GLY A 33 3.013 12.480 3.879 1.00 0.00 O ATOM 0 H GLY A 33 3.472 13.268 7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.081 11.363 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.491 10.742 6.581 1.00 0.00 H new ATOM 291 N LEU A 34 1.914 10.541 4.181 1.00 0.00 N ATOM 292 CA LEU A 34 1.495 10.438 2.789 1.00 0.00 C ATOM 293 C LEU A 34 -0.025 10.489 2.675 1.00 0.00 C ATOM 294 O LEU A 34 -0.567 11.032 1.713 1.00 0.00 O ATOM 295 CB LEU A 34 2.033 9.148 2.163 1.00 0.00 C ATOM 296 CG LEU A 34 3.128 9.353 1.117 1.00 0.00 C ATOM 297 CD1 LEU A 34 3.718 8.018 0.694 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.577 10.102 -0.087 1.00 0.00 C ATOM 0 H LEU A 34 1.600 9.774 4.775 1.00 0.00 H new ATOM 0 HA LEU A 34 1.907 11.288 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.423 8.510 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.204 8.612 1.701 1.00 0.00 H new ATOM 0 HG LEU A 34 3.923 9.952 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.496 8.184 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.148 7.519 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.934 7.393 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.369 10.240 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.764 9.528 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.203 11.075 0.230 1.00 0.00 H new ATOM 310 N GLY A 35 -0.709 9.926 3.667 1.00 0.00 N ATOM 311 CA GLY A 35 -2.159 9.928 3.658 1.00 0.00 C ATOM 312 C GLY A 35 -2.755 8.543 3.514 1.00 0.00 C ATOM 313 O GLY A 35 -3.928 8.401 3.169 1.00 0.00 O ATOM 0 H GLY A 35 -0.285 9.470 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.521 10.378 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.510 10.555 2.839 1.00 0.00 H new ATOM 317 N PHE A 36 -1.953 7.517 3.775 1.00 0.00 N ATOM 318 CA PHE A 36 -2.427 6.143 3.666 1.00 0.00 C ATOM 319 C PHE A 36 -1.513 5.180 4.414 1.00 0.00 C ATOM 320 O PHE A 36 -0.290 5.251 4.299 1.00 0.00 O ATOM 321 CB PHE A 36 -2.523 5.733 2.194 1.00 0.00 C ATOM 322 CG PHE A 36 -1.190 5.649 1.503 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.643 6.764 0.887 1.00 0.00 C ATOM 324 CD2 PHE A 36 -0.485 4.457 1.472 1.00 0.00 C ATOM 325 CE1 PHE A 36 0.582 6.690 0.251 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.741 4.376 0.837 1.00 0.00 C ATOM 327 CZ PHE A 36 1.275 5.494 0.228 1.00 0.00 C ATOM 0 H PHE A 36 -0.978 7.609 4.062 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.417 6.094 4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.019 4.765 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.152 6.450 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.180 7.701 0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.898 3.580 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.997 7.565 -0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.280 3.440 0.818 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.234 5.434 -0.266 1.00 0.00 H new ATOM 337 N SER A 37 -2.119 4.270 5.166 1.00 0.00 N ATOM 338 CA SER A 37 -1.366 3.278 5.920 1.00 0.00 C ATOM 339 C SER A 37 -1.498 1.916 5.252 1.00 0.00 C ATOM 340 O SER A 37 -2.594 1.517 4.855 1.00 0.00 O ATOM 341 CB SER A 37 -1.868 3.205 7.363 1.00 0.00 C ATOM 342 OG SER A 37 -2.527 4.404 7.735 1.00 0.00 O ATOM 0 H SER A 37 -3.131 4.199 5.270 1.00 0.00 H new ATOM 0 HA SER A 37 -0.316 3.572 5.935 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.551 2.362 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.029 3.024 8.035 1.00 0.00 H new ATOM 0 HG SER A 37 -2.840 4.332 8.661 1.00 0.00 H new ATOM 348 N ILE A 38 -0.383 1.213 5.108 1.00 0.00 N ATOM 349 CA ILE A 38 -0.396 -0.092 4.466 1.00 0.00 C ATOM 350 C ILE A 38 -0.227 -1.224 5.465 1.00 0.00 C ATOM 351 O ILE A 38 0.577 -1.144 6.394 1.00 0.00 O ATOM 352 CB ILE A 38 0.704 -0.213 3.399 1.00 0.00 C ATOM 353 CG1 ILE A 38 2.057 0.176 3.989 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.367 0.649 2.194 1.00 0.00 C ATOM 355 CD1 ILE A 38 3.224 -0.116 3.070 1.00 0.00 C ATOM 0 H ILE A 38 0.536 1.523 5.425 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.374 -0.178 3.992 1.00 0.00 H new ATOM 0 HB ILE A 38 0.763 -1.250 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.049 1.240 4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.202 -0.358 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.155 0.553 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.581 0.322 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.285 1.691 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.153 0.186 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.258 -1.184 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.103 0.439 2.140 1.00 0.00 H new ATOM 367 N THR A 39 -0.982 -2.287 5.243 1.00 0.00 N ATOM 368 CA THR A 39 -0.927 -3.468 6.095 1.00 0.00 C ATOM 369 C THR A 39 -0.249 -4.618 5.358 1.00 0.00 C ATOM 370 O THR A 39 -0.033 -4.549 4.149 1.00 0.00 O ATOM 371 CB THR A 39 -2.329 -3.889 6.537 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.326 -5.222 7.015 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.362 -3.802 5.432 1.00 0.00 C ATOM 0 H THR A 39 -1.647 -2.358 4.473 1.00 0.00 H new ATOM 0 HA THR A 39 -0.346 -3.218 6.983 1.00 0.00 H new ATOM 0 HB THR A 39 -2.603 -3.186 7.324 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.861 -5.259 7.877 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.333 -4.115 5.816 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.427 -2.774 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.070 -4.454 4.609 1.00 0.00 H new ATOM 381 N SER A 40 0.085 -5.672 6.091 1.00 0.00 N ATOM 382 CA SER A 40 0.740 -6.832 5.499 1.00 0.00 C ATOM 383 C SER A 40 -0.182 -8.047 5.513 1.00 0.00 C ATOM 384 O SER A 40 -0.842 -8.327 6.516 1.00 0.00 O ATOM 385 CB SER A 40 2.038 -7.145 6.246 1.00 0.00 C ATOM 386 OG SER A 40 1.794 -7.961 7.378 1.00 0.00 O ATOM 0 H SER A 40 -0.086 -5.748 7.094 1.00 0.00 H new ATOM 0 HA SER A 40 0.976 -6.596 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.734 -7.648 5.575 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.513 -6.216 6.560 1.00 0.00 H new ATOM 0 HG SER A 40 0.875 -8.300 7.345 1.00 0.00 H new ATOM 392 N ARG A 41 -0.226 -8.766 4.395 1.00 0.00 N ATOM 393 CA ARG A 41 -1.069 -9.952 4.281 1.00 0.00 C ATOM 394 C ARG A 41 -0.704 -11.000 5.332 1.00 0.00 C ATOM 395 O ARG A 41 -1.487 -11.910 5.606 1.00 0.00 O ATOM 396 CB ARG A 41 -0.946 -10.556 2.881 1.00 0.00 C ATOM 397 CG ARG A 41 -2.186 -11.320 2.438 1.00 0.00 C ATOM 398 CD ARG A 41 -1.850 -12.748 2.035 1.00 0.00 C ATOM 399 NE ARG A 41 -2.926 -13.368 1.268 1.00 0.00 N ATOM 400 CZ ARG A 41 -2.899 -14.627 0.837 1.00 0.00 C ATOM 401 NH1 ARG A 41 -1.853 -15.402 1.096 1.00 0.00 N ATOM 402 NH2 ARG A 41 -3.920 -15.113 0.147 1.00 0.00 N ATOM 0 H ARG A 41 0.312 -8.548 3.556 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.100 -9.644 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.746 -9.758 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.088 -11.227 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.915 -11.332 3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.651 -10.804 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.935 -12.752 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.654 -13.340 2.929 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.747 -12.803 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.064 -15.033 1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.838 -16.366 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.727 -14.522 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.899 -16.078 -0.183 1.00 0.00 H new ATOM 416 N ASP A 42 0.487 -10.872 5.912 1.00 0.00 N ATOM 417 CA ASP A 42 0.951 -11.812 6.929 1.00 0.00 C ATOM 418 C ASP A 42 1.122 -13.208 6.338 1.00 0.00 C ATOM 419 O ASP A 42 0.597 -14.188 6.867 1.00 0.00 O ATOM 420 CB ASP A 42 -0.023 -11.854 8.110 1.00 0.00 C ATOM 421 CG ASP A 42 0.094 -10.633 9.001 1.00 0.00 C ATOM 422 OD1 ASP A 42 0.174 -9.510 8.462 1.00 0.00 O ATOM 423 OD2 ASP A 42 0.107 -10.800 10.238 1.00 0.00 O ATOM 0 H ASP A 42 1.148 -10.126 5.695 1.00 0.00 H new ATOM 0 HA ASP A 42 1.921 -11.468 7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.043 -11.929 7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.165 -12.751 8.701 1.00 0.00 H new ATOM 428 N VAL A 43 1.860 -13.288 5.236 1.00 0.00 N ATOM 429 CA VAL A 43 2.105 -14.562 4.569 1.00 0.00 C ATOM 430 C VAL A 43 3.317 -15.268 5.162 1.00 0.00 C ATOM 431 O VAL A 43 3.193 -16.322 5.787 1.00 0.00 O ATOM 432 CB VAL A 43 2.332 -14.366 3.057 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.443 -15.710 2.351 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.214 -13.531 2.454 1.00 0.00 C ATOM 0 H VAL A 43 2.299 -12.485 4.785 1.00 0.00 H new ATOM 0 HA VAL A 43 1.218 -15.176 4.723 1.00 0.00 H new ATOM 0 HB VAL A 43 3.272 -13.831 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.603 -15.549 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.283 -16.269 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.523 -16.276 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.391 -13.403 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.260 -14.036 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.188 -12.554 2.937 1.00 0.00 H new ATOM 444 N THR A 44 4.487 -14.680 4.955 1.00 0.00 N ATOM 445 CA THR A 44 5.730 -15.243 5.458 1.00 0.00 C ATOM 446 C THR A 44 6.378 -14.312 6.476 1.00 0.00 C ATOM 447 O THR A 44 6.122 -13.108 6.482 1.00 0.00 O ATOM 448 CB THR A 44 6.691 -15.490 4.296 1.00 0.00 C ATOM 449 OG1 THR A 44 6.486 -14.536 3.272 1.00 0.00 O ATOM 450 CG2 THR A 44 6.545 -16.865 3.679 1.00 0.00 C ATOM 0 H THR A 44 4.600 -13.808 4.439 1.00 0.00 H new ATOM 0 HA THR A 44 5.505 -16.188 5.953 1.00 0.00 H new ATOM 0 HB THR A 44 7.691 -15.407 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.945 -14.828 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.256 -16.974 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.742 -17.626 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.531 -16.987 3.297 1.00 0.00 H new ATOM 458 N ILE A 45 7.219 -14.877 7.337 1.00 0.00 N ATOM 459 CA ILE A 45 7.907 -14.100 8.360 1.00 0.00 C ATOM 460 C ILE A 45 8.947 -13.171 7.737 1.00 0.00 C ATOM 461 O ILE A 45 10.149 -13.332 7.955 1.00 0.00 O ATOM 462 CB ILE A 45 8.598 -15.014 9.387 1.00 0.00 C ATOM 463 CG1 ILE A 45 7.691 -16.190 9.745 1.00 0.00 C ATOM 464 CG2 ILE A 45 8.972 -14.223 10.632 1.00 0.00 C ATOM 465 CD1 ILE A 45 8.233 -17.529 9.297 1.00 0.00 C ATOM 0 H ILE A 45 7.440 -15.873 7.346 1.00 0.00 H new ATOM 0 HA ILE A 45 7.150 -13.503 8.869 1.00 0.00 H new ATOM 0 HB ILE A 45 9.513 -15.409 8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.544 -16.209 10.825 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.712 -16.034 9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.460 -14.883 11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.653 -13.416 10.360 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.072 -13.802 11.080 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.538 -18.318 9.584 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.354 -17.529 8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.199 -17.707 9.770 1.00 0.00 H new ATOM 477 N GLY A 46 8.479 -12.201 6.961 1.00 0.00 N ATOM 478 CA GLY A 46 9.381 -11.265 6.318 1.00 0.00 C ATOM 479 C GLY A 46 10.049 -11.853 5.090 1.00 0.00 C ATOM 480 O GLY A 46 11.161 -11.466 4.733 1.00 0.00 O ATOM 0 H GLY A 46 7.490 -12.046 6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.828 -10.370 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.146 -10.955 7.030 1.00 0.00 H new ATOM 484 N GLY A 47 9.368 -12.795 4.444 1.00 0.00 N ATOM 485 CA GLY A 47 9.914 -13.425 3.257 1.00 0.00 C ATOM 486 C GLY A 47 8.920 -13.467 2.113 1.00 0.00 C ATOM 487 O GLY A 47 8.411 -14.532 1.764 1.00 0.00 O ATOM 0 H GLY A 47 8.447 -13.133 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.806 -12.884 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.227 -14.441 3.500 1.00 0.00 H new ATOM 491 N SER A 48 8.646 -12.303 1.527 1.00 0.00 N ATOM 492 CA SER A 48 7.705 -12.195 0.413 1.00 0.00 C ATOM 493 C SER A 48 6.264 -12.225 0.910 1.00 0.00 C ATOM 494 O SER A 48 5.739 -13.281 1.268 1.00 0.00 O ATOM 495 CB SER A 48 7.931 -13.315 -0.606 1.00 0.00 C ATOM 496 OG SER A 48 9.279 -13.752 -0.593 1.00 0.00 O ATOM 0 H SER A 48 9.065 -11.416 1.807 1.00 0.00 H new ATOM 0 HA SER A 48 7.884 -11.238 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.271 -14.153 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.670 -12.962 -1.603 1.00 0.00 H new ATOM 0 HG SER A 48 9.397 -14.469 -1.251 1.00 0.00 H new ATOM 502 N ALA A 49 5.630 -11.058 0.923 1.00 0.00 N ATOM 503 CA ALA A 49 4.249 -10.937 1.371 1.00 0.00 C ATOM 504 C ALA A 49 3.577 -9.721 0.731 1.00 0.00 C ATOM 505 O ALA A 49 4.082 -8.604 0.833 1.00 0.00 O ATOM 506 CB ALA A 49 4.193 -10.836 2.888 1.00 0.00 C ATOM 0 H ALA A 49 6.053 -10.179 0.627 1.00 0.00 H new ATOM 0 HA ALA A 49 3.707 -11.830 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.155 -10.746 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.633 -11.731 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.751 -9.959 3.215 1.00 0.00 H new ATOM 512 N PRO A 50 2.429 -9.919 0.057 1.00 0.00 N ATOM 513 CA PRO A 50 1.704 -8.824 -0.600 1.00 0.00 C ATOM 514 C PRO A 50 1.164 -7.798 0.393 1.00 0.00 C ATOM 515 O PRO A 50 0.608 -8.154 1.434 1.00 0.00 O ATOM 516 CB PRO A 50 0.550 -9.533 -1.317 1.00 0.00 C ATOM 517 CG PRO A 50 0.378 -10.821 -0.590 1.00 0.00 C ATOM 518 CD PRO A 50 1.752 -11.215 -0.124 1.00 0.00 C ATOM 0 HA PRO A 50 2.353 -8.256 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.361 -8.936 -1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.783 -9.701 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.303 -10.706 0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.048 -11.584 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.715 -11.783 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.263 -11.838 -0.858 1.00 0.00 H new ATOM 526 N ILE A 51 1.340 -6.522 0.064 1.00 0.00 N ATOM 527 CA ILE A 51 0.881 -5.434 0.920 1.00 0.00 C ATOM 528 C ILE A 51 -0.432 -4.844 0.408 1.00 0.00 C ATOM 529 O ILE A 51 -0.663 -4.771 -0.800 1.00 0.00 O ATOM 530 CB ILE A 51 1.932 -4.312 1.000 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.328 -4.905 1.230 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.570 -3.319 2.097 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.595 -5.318 2.662 1.00 0.00 C ATOM 0 H ILE A 51 1.799 -6.215 -0.793 1.00 0.00 H new ATOM 0 HA ILE A 51 0.723 -5.855 1.913 1.00 0.00 H new ATOM 0 HB ILE A 51 1.944 -3.775 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.453 -5.773 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.077 -4.172 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.324 -2.533 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.597 -2.878 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.530 -3.835 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.602 -5.727 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.504 -4.449 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.871 -6.075 2.963 1.00 0.00 H new ATOM 545 N TYR A 52 -1.288 -4.421 1.334 1.00 0.00 N ATOM 546 CA TYR A 52 -2.577 -3.835 0.978 1.00 0.00 C ATOM 547 C TYR A 52 -2.864 -2.594 1.819 1.00 0.00 C ATOM 548 O TYR A 52 -2.534 -2.550 3.003 1.00 0.00 O ATOM 549 CB TYR A 52 -3.698 -4.857 1.170 1.00 0.00 C ATOM 550 CG TYR A 52 -3.463 -6.166 0.453 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.448 -7.026 0.850 1.00 0.00 C ATOM 552 CD2 TYR A 52 -4.258 -6.542 -0.623 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.232 -8.224 0.197 1.00 0.00 C ATOM 554 CE2 TYR A 52 -4.048 -7.739 -1.281 1.00 0.00 C ATOM 555 CZ TYR A 52 -3.034 -8.576 -0.868 1.00 0.00 C ATOM 556 OH TYR A 52 -2.822 -9.769 -1.520 1.00 0.00 O ATOM 0 H TYR A 52 -1.112 -4.473 2.337 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.533 -3.542 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.818 -5.054 2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.635 -4.425 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.817 -6.754 1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.053 -5.888 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.438 -8.882 0.519 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.675 -8.017 -2.115 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.601 -9.981 -2.076 1.00 0.00 H new ATOM 566 N VAL A 53 -3.483 -1.592 1.203 1.00 0.00 N ATOM 567 CA VAL A 53 -3.817 -0.356 1.906 1.00 0.00 C ATOM 568 C VAL A 53 -4.737 -0.631 3.088 1.00 0.00 C ATOM 569 O VAL A 53 -5.943 -0.809 2.923 1.00 0.00 O ATOM 570 CB VAL A 53 -4.492 0.664 0.967 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.720 1.984 1.686 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.655 0.870 -0.287 1.00 0.00 C ATOM 0 H VAL A 53 -3.763 -1.610 0.222 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.879 0.065 2.268 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.462 0.268 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.197 2.691 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.363 1.821 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.763 2.388 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.147 1.593 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.669 1.243 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.549 -0.079 -0.813 1.00 0.00 H new ATOM 582 N LYS A 54 -4.156 -0.665 4.283 1.00 0.00 N ATOM 583 CA LYS A 54 -4.918 -0.918 5.499 1.00 0.00 C ATOM 584 C LYS A 54 -6.056 0.083 5.642 1.00 0.00 C ATOM 585 O LYS A 54 -7.128 -0.251 6.146 1.00 0.00 O ATOM 586 CB LYS A 54 -4.004 -0.843 6.722 1.00 0.00 C ATOM 587 CG LYS A 54 -4.702 -1.189 8.028 1.00 0.00 C ATOM 588 CD LYS A 54 -5.346 -2.564 7.970 1.00 0.00 C ATOM 589 CE LYS A 54 -5.853 -2.999 9.336 1.00 0.00 C ATOM 590 NZ LYS A 54 -7.074 -3.844 9.234 1.00 0.00 N ATOM 0 H LYS A 54 -3.158 -0.520 4.435 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.343 -1.920 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.163 -1.522 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.592 0.163 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.982 -1.158 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.463 -0.439 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.174 -2.550 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.622 -3.291 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.070 -3.554 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.071 -2.118 9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.387 -4.119 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.830 -3.307 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.860 -4.698 8.680 1.00 0.00 H new ATOM 604 N ASN A 55 -5.817 1.314 5.195 1.00 0.00 N ATOM 605 CA ASN A 55 -6.835 2.363 5.278 1.00 0.00 C ATOM 606 C ASN A 55 -6.289 3.720 4.851 1.00 0.00 C ATOM 607 O ASN A 55 -5.119 4.033 5.070 1.00 0.00 O ATOM 608 CB ASN A 55 -7.385 2.464 6.703 1.00 0.00 C ATOM 609 CG ASN A 55 -6.284 2.529 7.743 1.00 0.00 C ATOM 610 OD1 ASN A 55 -5.353 1.725 7.729 1.00 0.00 O ATOM 611 ND2 ASN A 55 -6.387 3.491 8.654 1.00 0.00 N ATOM 0 H ASN A 55 -4.936 1.610 4.775 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.636 2.086 4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.012 3.352 6.786 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.022 1.603 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.676 3.584 9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.177 4.136 8.627 1.00 0.00 H new ATOM 618 N ILE A 56 -7.162 4.532 4.259 1.00 0.00 N ATOM 619 CA ILE A 56 -6.795 5.871 3.817 1.00 0.00 C ATOM 620 C ILE A 56 -7.196 6.893 4.878 1.00 0.00 C ATOM 621 O ILE A 56 -8.282 6.806 5.453 1.00 0.00 O ATOM 622 CB ILE A 56 -7.466 6.227 2.476 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.115 5.183 1.413 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.045 7.618 2.019 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.655 5.186 1.016 1.00 0.00 C ATOM 0 H ILE A 56 -8.134 4.282 4.075 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.715 5.892 3.671 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.547 6.227 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.379 4.194 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.724 5.361 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.529 7.851 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.341 8.352 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.963 7.647 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.482 4.420 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.390 6.163 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.040 4.977 1.891 1.00 0.00 H new ATOM 637 N LEU A 57 -6.311 7.844 5.152 1.00 0.00 N ATOM 638 CA LEU A 57 -6.578 8.857 6.166 1.00 0.00 C ATOM 639 C LEU A 57 -7.221 10.108 5.560 1.00 0.00 C ATOM 640 O LEU A 57 -6.753 10.627 4.548 1.00 0.00 O ATOM 641 CB LEU A 57 -5.282 9.215 6.890 1.00 0.00 C ATOM 642 CG LEU A 57 -4.406 8.012 7.240 1.00 0.00 C ATOM 643 CD1 LEU A 57 -3.190 8.445 8.040 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.210 6.969 8.006 1.00 0.00 C ATOM 0 H LEU A 57 -5.407 7.935 4.689 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.288 8.443 6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.707 9.899 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.527 9.750 7.807 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.058 7.562 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.581 7.573 8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.601 9.150 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.514 8.924 8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.570 6.120 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.591 7.408 8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.045 6.631 7.393 1.00 0.00 H new ATOM 656 N PRO A 58 -8.315 10.604 6.176 1.00 0.00 N ATOM 657 CA PRO A 58 -9.032 11.793 5.695 1.00 0.00 C ATOM 658 C PRO A 58 -8.121 13.000 5.498 1.00 0.00 C ATOM 659 O PRO A 58 -8.370 13.841 4.636 1.00 0.00 O ATOM 660 CB PRO A 58 -10.047 12.073 6.804 1.00 0.00 C ATOM 661 CG PRO A 58 -10.263 10.757 7.462 1.00 0.00 C ATOM 662 CD PRO A 58 -8.944 10.039 7.386 1.00 0.00 C ATOM 0 HA PRO A 58 -9.479 11.618 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.667 12.811 7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.977 12.470 6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.579 10.885 8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.046 10.191 6.957 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.338 10.217 8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.078 8.960 7.303 1.00 0.00 H new ATOM 670 N ARG A 59 -7.071 13.083 6.304 1.00 0.00 N ATOM 671 CA ARG A 59 -6.133 14.194 6.213 1.00 0.00 C ATOM 672 C ARG A 59 -4.803 13.735 5.632 1.00 0.00 C ATOM 673 O ARG A 59 -3.786 13.698 6.327 1.00 0.00 O ATOM 674 CB ARG A 59 -5.918 14.825 7.590 1.00 0.00 C ATOM 675 CG ARG A 59 -7.019 15.797 7.992 1.00 0.00 C ATOM 676 CD ARG A 59 -6.457 17.155 8.386 1.00 0.00 C ATOM 677 NE ARG A 59 -6.783 17.502 9.768 1.00 0.00 N ATOM 678 CZ ARG A 59 -8.018 17.754 10.198 1.00 0.00 C ATOM 679 NH1 ARG A 59 -9.043 17.695 9.359 1.00 0.00 N ATOM 680 NH2 ARG A 59 -8.226 18.063 11.471 1.00 0.00 N ATOM 0 H ARG A 59 -6.848 12.397 7.025 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.559 14.943 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.852 14.034 8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.962 15.349 7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.717 15.919 7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.584 15.381 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.374 17.150 8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.853 17.919 7.717 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.020 17.554 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.887 17.456 8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.987 17.889 9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.440 18.108 12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.172 18.256 11.801 1.00 0.00 H new ATOM 694 N GLY A 60 -4.820 13.387 4.353 1.00 0.00 N ATOM 695 CA GLY A 60 -3.614 12.932 3.691 1.00 0.00 C ATOM 696 C GLY A 60 -3.566 13.339 2.233 1.00 0.00 C ATOM 697 O GLY A 60 -4.528 13.898 1.707 1.00 0.00 O ATOM 0 H GLY A 60 -5.650 13.412 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.744 13.338 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.550 11.846 3.764 1.00 0.00 H new ATOM 701 N ALA A 61 -2.445 13.058 1.577 1.00 0.00 N ATOM 702 CA ALA A 61 -2.277 13.402 0.171 1.00 0.00 C ATOM 703 C ALA A 61 -3.063 12.454 -0.727 1.00 0.00 C ATOM 704 O ALA A 61 -3.706 12.879 -1.687 1.00 0.00 O ATOM 705 CB ALA A 61 -0.803 13.395 -0.205 1.00 0.00 C ATOM 0 H ALA A 61 -1.640 12.593 1.997 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.671 14.407 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.695 13.654 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.269 14.124 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.388 12.402 -0.031 1.00 0.00 H new ATOM 711 N ALA A 62 -3.004 11.166 -0.412 1.00 0.00 N ATOM 712 CA ALA A 62 -3.706 10.156 -1.194 1.00 0.00 C ATOM 713 C ALA A 62 -5.205 10.434 -1.252 1.00 0.00 C ATOM 714 O ALA A 62 -5.799 10.448 -2.330 1.00 0.00 O ATOM 715 CB ALA A 62 -3.447 8.771 -0.620 1.00 0.00 C ATOM 0 H ALA A 62 -2.477 10.796 0.379 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.321 10.197 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.977 8.026 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.378 8.561 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.800 8.732 0.410 1.00 0.00 H new ATOM 721 N ILE A 63 -5.816 10.640 -0.090 1.00 0.00 N ATOM 722 CA ILE A 63 -7.244 10.902 -0.023 1.00 0.00 C ATOM 723 C ILE A 63 -7.630 12.181 -0.764 1.00 0.00 C ATOM 724 O ILE A 63 -8.663 12.226 -1.431 1.00 0.00 O ATOM 725 CB ILE A 63 -7.729 10.957 1.440 1.00 0.00 C ATOM 726 CG1 ILE A 63 -9.120 10.341 1.527 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.724 12.383 1.985 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.548 10.019 2.937 1.00 0.00 C ATOM 0 H ILE A 63 -5.344 10.630 0.814 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.742 10.072 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.039 10.384 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.841 11.028 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.143 9.428 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.072 12.379 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.711 12.784 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.385 13.005 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.547 9.584 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.848 9.308 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.558 10.932 3.532 1.00 0.00 H new ATOM 740 N GLN A 64 -6.802 13.217 -0.654 1.00 0.00 N ATOM 741 CA GLN A 64 -7.088 14.478 -1.333 1.00 0.00 C ATOM 742 C GLN A 64 -6.894 14.330 -2.839 1.00 0.00 C ATOM 743 O GLN A 64 -7.585 14.972 -3.629 1.00 0.00 O ATOM 744 CB GLN A 64 -6.194 15.596 -0.798 1.00 0.00 C ATOM 745 CG GLN A 64 -4.715 15.355 -1.034 1.00 0.00 C ATOM 746 CD GLN A 64 -3.865 16.565 -0.702 1.00 0.00 C ATOM 747 OE1 GLN A 64 -3.637 16.876 0.469 1.00 0.00 O ATOM 748 NE2 GLN A 64 -3.391 17.257 -1.732 1.00 0.00 N ATOM 0 H GLN A 64 -5.940 13.210 -0.109 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.128 14.740 -1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.480 16.536 -1.269 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.369 15.710 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.388 14.509 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.558 15.081 -2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.605 16.964 -2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.813 18.082 -1.570 1.00 0.00 H new ATOM 757 N ASP A 65 -5.951 13.476 -3.228 1.00 0.00 N ATOM 758 CA ASP A 65 -5.673 13.240 -4.639 1.00 0.00 C ATOM 759 C ASP A 65 -6.809 12.454 -5.287 1.00 0.00 C ATOM 760 O ASP A 65 -7.122 12.650 -6.463 1.00 0.00 O ATOM 761 CB ASP A 65 -4.352 12.484 -4.802 1.00 0.00 C ATOM 762 CG ASP A 65 -3.334 13.265 -5.611 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.581 14.059 -5.009 1.00 0.00 O ATOM 764 OD2 ASP A 65 -3.289 13.081 -6.845 1.00 0.00 O ATOM 0 H ASP A 65 -5.369 12.938 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.591 14.206 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.938 12.264 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.542 11.527 -5.289 1.00 0.00 H new ATOM 769 N GLY A 66 -7.421 11.564 -4.513 1.00 0.00 N ATOM 770 CA GLY A 66 -8.513 10.760 -5.027 1.00 0.00 C ATOM 771 C GLY A 66 -8.050 9.757 -6.064 1.00 0.00 C ATOM 772 O GLY A 66 -8.777 9.445 -7.007 1.00 0.00 O ATOM 0 H GLY A 66 -7.180 11.385 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.992 10.232 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.266 11.413 -5.467 1.00 0.00 H new ATOM 776 N ARG A 67 -6.832 9.253 -5.891 1.00 0.00 N ATOM 777 CA ARG A 67 -6.265 8.283 -6.819 1.00 0.00 C ATOM 778 C ARG A 67 -6.221 6.891 -6.199 1.00 0.00 C ATOM 779 O ARG A 67 -6.897 5.971 -6.663 1.00 0.00 O ATOM 780 CB ARG A 67 -4.859 8.714 -7.241 1.00 0.00 C ATOM 781 CG ARG A 67 -4.840 9.980 -8.082 1.00 0.00 C ATOM 782 CD ARG A 67 -3.769 9.923 -9.160 1.00 0.00 C ATOM 783 NE ARG A 67 -4.318 10.170 -10.492 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.615 10.050 -11.616 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.340 9.688 -11.576 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.192 10.292 -12.786 1.00 0.00 N ATOM 0 H ARG A 67 -6.218 9.501 -5.115 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.906 8.244 -7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.253 8.871 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.394 7.906 -7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.816 10.123 -8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.663 10.842 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.997 10.662 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.288 8.945 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.296 10.450 -10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.891 9.499 -10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.808 9.598 -12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.173 10.570 -12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.655 10.201 -13.648 1.00 0.00 H new ATOM 800 N LEU A 68 -5.424 6.741 -5.149 1.00 0.00 N ATOM 801 CA LEU A 68 -5.293 5.462 -4.465 1.00 0.00 C ATOM 802 C LEU A 68 -6.171 5.429 -3.215 1.00 0.00 C ATOM 803 O LEU A 68 -6.038 6.269 -2.325 1.00 0.00 O ATOM 804 CB LEU A 68 -3.818 5.200 -4.114 1.00 0.00 C ATOM 805 CG LEU A 68 -3.525 4.832 -2.658 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.120 3.473 -2.319 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.026 4.836 -2.402 1.00 0.00 C ATOM 0 H LEU A 68 -4.858 7.491 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.633 4.669 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.452 4.395 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.243 6.091 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.989 5.579 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.901 3.229 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.200 3.502 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.686 2.713 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.834 4.572 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.543 4.110 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.625 5.829 -2.605 1.00 0.00 H new ATOM 819 N LYS A 69 -7.073 4.452 -3.159 1.00 0.00 N ATOM 820 CA LYS A 69 -7.976 4.310 -2.023 1.00 0.00 C ATOM 821 C LYS A 69 -7.572 3.130 -1.145 1.00 0.00 C ATOM 822 O LYS A 69 -6.504 2.545 -1.326 1.00 0.00 O ATOM 823 CB LYS A 69 -9.408 4.125 -2.514 1.00 0.00 C ATOM 824 CG LYS A 69 -10.183 5.425 -2.613 1.00 0.00 C ATOM 825 CD LYS A 69 -11.415 5.254 -3.477 1.00 0.00 C ATOM 826 CE LYS A 69 -12.199 6.550 -3.597 1.00 0.00 C ATOM 827 NZ LYS A 69 -13.228 6.678 -2.527 1.00 0.00 N ATOM 0 H LYS A 69 -7.197 3.748 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.914 5.219 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.390 3.646 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.932 3.449 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.476 5.756 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.545 6.203 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.120 4.914 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.054 4.480 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.513 7.395 -3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.683 6.593 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.741 7.575 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.898 5.885 -2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.765 6.663 -1.596 1.00 0.00 H new ATOM 841 N ALA A 70 -8.434 2.786 -0.194 1.00 0.00 N ATOM 842 CA ALA A 70 -8.169 1.675 0.712 1.00 0.00 C ATOM 843 C ALA A 70 -8.573 0.347 0.080 1.00 0.00 C ATOM 844 O ALA A 70 -9.425 0.304 -0.807 1.00 0.00 O ATOM 845 CB ALA A 70 -8.903 1.877 2.028 1.00 0.00 C ATOM 0 H ALA A 70 -9.322 3.261 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.097 1.647 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.695 1.039 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.566 2.803 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.975 1.934 1.841 1.00 0.00 H new ATOM 851 N GLY A 71 -7.953 -0.735 0.541 1.00 0.00 N ATOM 852 CA GLY A 71 -8.261 -2.048 0.006 1.00 0.00 C ATOM 853 C GLY A 71 -7.357 -2.432 -1.150 1.00 0.00 C ATOM 854 O GLY A 71 -7.247 -3.608 -1.496 1.00 0.00 O ATOM 0 H GLY A 71 -7.244 -0.726 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.167 -2.791 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.299 -2.067 -0.327 1.00 0.00 H new ATOM 858 N ASP A 72 -6.707 -1.438 -1.750 1.00 0.00 N ATOM 859 CA ASP A 72 -5.810 -1.678 -2.874 1.00 0.00 C ATOM 860 C ASP A 72 -4.606 -2.512 -2.441 1.00 0.00 C ATOM 861 O ASP A 72 -4.298 -2.603 -1.253 1.00 0.00 O ATOM 862 CB ASP A 72 -5.345 -0.349 -3.472 1.00 0.00 C ATOM 863 CG ASP A 72 -5.822 -0.159 -4.899 1.00 0.00 C ATOM 864 OD1 ASP A 72 -5.676 -1.103 -5.704 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.341 0.933 -5.211 1.00 0.00 O ATOM 0 H ASP A 72 -6.786 -0.459 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.356 -2.236 -3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.713 0.472 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.256 -0.303 -3.447 1.00 0.00 H new ATOM 870 N ARG A 73 -3.933 -3.121 -3.412 1.00 0.00 N ATOM 871 CA ARG A 73 -2.765 -3.949 -3.131 1.00 0.00 C ATOM 872 C ARG A 73 -1.513 -3.375 -3.790 1.00 0.00 C ATOM 873 O ARG A 73 -1.387 -3.373 -5.014 1.00 0.00 O ATOM 874 CB ARG A 73 -3.012 -5.382 -3.615 1.00 0.00 C ATOM 875 CG ARG A 73 -1.802 -6.293 -3.484 1.00 0.00 C ATOM 876 CD ARG A 73 -2.096 -7.683 -4.027 1.00 0.00 C ATOM 877 NE ARG A 73 -0.873 -8.428 -4.319 1.00 0.00 N ATOM 878 CZ ARG A 73 -0.175 -8.296 -5.444 1.00 0.00 C ATOM 879 NH1 ARG A 73 -0.568 -7.445 -6.384 1.00 0.00 N ATOM 880 NH2 ARG A 73 0.923 -9.016 -5.631 1.00 0.00 N ATOM 0 H ARG A 73 -4.176 -3.057 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.603 -3.959 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.839 -5.809 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.322 -5.354 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.959 -5.861 -4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.509 -6.364 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.693 -8.236 -3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.694 -7.599 -4.934 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.535 -9.088 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.410 -6.887 -6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.027 -7.349 -7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.232 -9.671 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.458 -8.915 -6.493 1.00 0.00 H new ATOM 894 N LEU A 74 -0.591 -2.888 -2.965 1.00 0.00 N ATOM 895 CA LEU A 74 0.656 -2.308 -3.451 1.00 0.00 C ATOM 896 C LEU A 74 1.469 -3.322 -4.245 1.00 0.00 C ATOM 897 O LEU A 74 1.778 -4.409 -3.759 1.00 0.00 O ATOM 898 CB LEU A 74 1.483 -1.786 -2.277 1.00 0.00 C ATOM 899 CG LEU A 74 1.194 -0.340 -1.878 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.168 -0.290 -0.757 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.476 0.368 -1.463 1.00 0.00 C ATOM 0 H LEU A 74 -0.686 -2.884 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 74 0.404 -1.481 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.307 -2.428 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.540 -1.874 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 74 0.782 0.179 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.025 0.748 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.759 -0.756 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.551 -0.826 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.249 1.397 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.919 -0.151 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.179 0.366 -2.296 1.00 0.00 H new ATOM 913 N ILE A 75 1.819 -2.944 -5.467 1.00 0.00 N ATOM 914 CA ILE A 75 2.607 -3.797 -6.342 1.00 0.00 C ATOM 915 C ILE A 75 3.985 -3.189 -6.587 1.00 0.00 C ATOM 916 O ILE A 75 4.955 -3.906 -6.829 1.00 0.00 O ATOM 917 CB ILE A 75 1.899 -4.017 -7.690 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.558 -4.720 -7.452 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.786 -4.819 -8.642 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.045 -5.337 -8.693 1.00 0.00 C ATOM 0 H ILE A 75 1.566 -2.044 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 75 2.720 -4.760 -5.844 1.00 0.00 H new ATOM 0 HB ILE A 75 1.709 -3.052 -8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.697 -5.499 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.148 -4.001 -7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.266 -4.963 -9.589 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.715 -4.277 -8.817 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.010 -5.790 -8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.992 -5.814 -8.439 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.218 -4.560 -9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.640 -6.082 -9.098 1.00 0.00 H new ATOM 932 N GLU A 76 4.063 -1.863 -6.524 1.00 0.00 N ATOM 933 CA GLU A 76 5.328 -1.171 -6.747 1.00 0.00 C ATOM 934 C GLU A 76 5.361 0.184 -6.047 1.00 0.00 C ATOM 935 O GLU A 76 4.321 0.787 -5.780 1.00 0.00 O ATOM 936 CB GLU A 76 5.573 -0.981 -8.246 1.00 0.00 C ATOM 937 CG GLU A 76 6.144 -2.209 -8.934 1.00 0.00 C ATOM 938 CD GLU A 76 6.390 -1.987 -10.413 1.00 0.00 C ATOM 939 OE1 GLU A 76 5.577 -1.285 -11.051 1.00 0.00 O ATOM 940 OE2 GLU A 76 7.395 -2.516 -10.934 1.00 0.00 O ATOM 0 H GLU A 76 3.273 -1.251 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 76 6.118 -1.791 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.633 -0.711 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.257 -0.144 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.081 -2.489 -8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.457 -3.045 -8.805 1.00 0.00 H new ATOM 947 N VAL A 77 6.572 0.657 -5.757 1.00 0.00 N ATOM 948 CA VAL A 77 6.763 1.943 -5.096 1.00 0.00 C ATOM 949 C VAL A 77 8.036 2.618 -5.602 1.00 0.00 C ATOM 950 O VAL A 77 9.132 2.069 -5.477 1.00 0.00 O ATOM 951 CB VAL A 77 6.845 1.784 -3.560 1.00 0.00 C ATOM 952 CG1 VAL A 77 7.245 3.096 -2.896 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.519 1.287 -3.004 1.00 0.00 C ATOM 0 H VAL A 77 7.439 0.164 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 77 5.899 2.563 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 77 7.614 1.044 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.295 2.957 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.221 3.409 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.505 3.862 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.595 1.181 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.733 2.003 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.278 0.321 -3.447 1.00 0.00 H new ATOM 963 N ASN A 78 7.885 3.807 -6.175 1.00 0.00 N ATOM 964 CA ASN A 78 9.025 4.551 -6.700 1.00 0.00 C ATOM 965 C ASN A 78 9.731 3.759 -7.795 1.00 0.00 C ATOM 966 O ASN A 78 10.943 3.875 -7.978 1.00 0.00 O ATOM 967 CB ASN A 78 10.012 4.878 -5.576 1.00 0.00 C ATOM 968 CG ASN A 78 9.489 5.948 -4.639 1.00 0.00 C ATOM 969 OD1 ASN A 78 9.132 5.667 -3.494 1.00 0.00 O ATOM 970 ND2 ASN A 78 9.442 7.185 -5.120 1.00 0.00 N ATOM 0 H ASN A 78 6.986 4.276 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 78 8.653 5.482 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.223 3.973 -5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.956 5.209 -6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.100 7.947 -4.535 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.748 7.373 -6.075 1.00 0.00 H new ATOM 977 N GLY A 79 8.964 2.953 -8.523 1.00 0.00 N ATOM 978 CA GLY A 79 9.529 2.153 -9.592 1.00 0.00 C ATOM 979 C GLY A 79 10.180 0.875 -9.092 1.00 0.00 C ATOM 980 O GLY A 79 10.912 0.216 -9.828 1.00 0.00 O ATOM 0 H GLY A 79 7.959 2.840 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.743 1.900 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.269 2.745 -10.130 1.00 0.00 H new ATOM 984 N VAL A 80 9.913 0.524 -7.837 1.00 0.00 N ATOM 985 CA VAL A 80 10.479 -0.682 -7.245 1.00 0.00 C ATOM 986 C VAL A 80 9.416 -1.759 -7.068 1.00 0.00 C ATOM 987 O VAL A 80 8.242 -1.459 -6.847 1.00 0.00 O ATOM 988 CB VAL A 80 11.131 -0.388 -5.879 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.616 -1.675 -5.222 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.275 0.599 -6.038 1.00 0.00 C ATOM 0 H VAL A 80 9.309 1.058 -7.212 1.00 0.00 H new ATOM 0 HA VAL A 80 11.244 -1.041 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 80 10.378 0.059 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.072 -1.443 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.771 -2.347 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.352 -2.157 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.724 0.795 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.027 0.180 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.896 1.531 -6.457 1.00 0.00 H new ATOM 1000 N ASP A 81 9.838 -3.014 -7.155 1.00 0.00 N ATOM 1001 CA ASP A 81 8.929 -4.141 -6.995 1.00 0.00 C ATOM 1002 C ASP A 81 8.811 -4.529 -5.526 1.00 0.00 C ATOM 1003 O ASP A 81 9.800 -4.889 -4.889 1.00 0.00 O ATOM 1004 CB ASP A 81 9.416 -5.337 -7.814 1.00 0.00 C ATOM 1005 CG ASP A 81 8.282 -6.060 -8.516 1.00 0.00 C ATOM 1006 OD1 ASP A 81 7.696 -5.478 -9.452 1.00 0.00 O ATOM 1007 OD2 ASP A 81 7.980 -7.208 -8.130 1.00 0.00 O ATOM 0 H ASP A 81 10.807 -3.277 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 81 7.945 -3.842 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.139 -4.996 -8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.937 -6.035 -7.158 1.00 0.00 H new ATOM 1012 N LEU A 82 7.594 -4.455 -4.995 1.00 0.00 N ATOM 1013 CA LEU A 82 7.352 -4.801 -3.600 1.00 0.00 C ATOM 1014 C LEU A 82 7.076 -6.294 -3.442 1.00 0.00 C ATOM 1015 O LEU A 82 6.554 -6.731 -2.419 1.00 0.00 O ATOM 1016 CB LEU A 82 6.174 -3.999 -3.047 1.00 0.00 C ATOM 1017 CG LEU A 82 6.180 -2.512 -3.402 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.952 -1.822 -2.829 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.454 -1.851 -2.899 1.00 0.00 C ATOM 0 H LEU A 82 6.764 -4.160 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 82 8.252 -4.554 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.248 -4.441 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.165 -4.098 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 82 6.150 -2.415 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.973 -0.764 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.052 -2.280 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.949 -1.926 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.442 -0.793 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.516 -1.957 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.318 -2.329 -3.360 1.00 0.00 H new ATOM 1031 N ALA A 83 7.428 -7.074 -4.461 1.00 0.00 N ATOM 1032 CA ALA A 83 7.214 -8.514 -4.422 1.00 0.00 C ATOM 1033 C ALA A 83 8.471 -9.239 -3.957 1.00 0.00 C ATOM 1034 O ALA A 83 9.469 -9.297 -4.675 1.00 0.00 O ATOM 1035 CB ALA A 83 6.780 -9.023 -5.787 1.00 0.00 C ATOM 0 H ALA A 83 7.861 -6.733 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 83 6.420 -8.720 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.624 -10.101 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.850 -8.534 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.554 -8.799 -6.522 1.00 0.00 H new ATOM 1041 N GLY A 84 8.418 -9.785 -2.746 1.00 0.00 N ATOM 1042 CA GLY A 84 9.560 -10.495 -2.201 1.00 0.00 C ATOM 1043 C GLY A 84 10.490 -9.579 -1.432 1.00 0.00 C ATOM 1044 O GLY A 84 11.680 -9.862 -1.299 1.00 0.00 O ATOM 0 H GLY A 84 7.604 -9.748 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.211 -11.291 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.111 -10.971 -3.012 1.00 0.00 H new ATOM 1048 N LYS A 85 9.946 -8.477 -0.923 1.00 0.00 N ATOM 1049 CA LYS A 85 10.735 -7.517 -0.164 1.00 0.00 C ATOM 1050 C LYS A 85 10.389 -7.579 1.325 1.00 0.00 C ATOM 1051 O LYS A 85 11.026 -8.308 2.084 1.00 0.00 O ATOM 1052 CB LYS A 85 10.517 -6.103 -0.709 1.00 0.00 C ATOM 1053 CG LYS A 85 11.096 -5.893 -2.100 1.00 0.00 C ATOM 1054 CD LYS A 85 12.037 -4.699 -2.140 1.00 0.00 C ATOM 1055 CE LYS A 85 12.425 -4.348 -3.567 1.00 0.00 C ATOM 1056 NZ LYS A 85 13.618 -3.458 -3.615 1.00 0.00 N ATOM 0 H LYS A 85 8.962 -8.228 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 85 11.788 -7.776 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.448 -5.892 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.968 -5.385 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.632 -6.790 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.286 -5.742 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.558 -3.840 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.934 -4.921 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.632 -5.263 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.586 -3.858 -4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.810 -3.187 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.437 -2.604 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.442 -3.961 -3.228 1.00 0.00 H new ATOM 1070 N SER A 86 9.380 -6.812 1.733 1.00 0.00 N ATOM 1071 CA SER A 86 8.946 -6.780 3.129 1.00 0.00 C ATOM 1072 C SER A 86 8.013 -5.597 3.371 1.00 0.00 C ATOM 1073 O SER A 86 8.076 -4.592 2.664 1.00 0.00 O ATOM 1074 CB SER A 86 10.151 -6.692 4.072 1.00 0.00 C ATOM 1075 OG SER A 86 10.277 -7.873 4.847 1.00 0.00 O ATOM 0 H SER A 86 8.846 -6.202 1.114 1.00 0.00 H new ATOM 0 HA SER A 86 8.408 -7.705 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.060 -6.535 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.040 -5.831 4.731 1.00 0.00 H new ATOM 0 HG SER A 86 10.595 -8.605 4.278 1.00 0.00 H new ATOM 1081 N GLN A 87 7.158 -5.719 4.377 1.00 0.00 N ATOM 1082 CA GLN A 87 6.223 -4.653 4.715 1.00 0.00 C ATOM 1083 C GLN A 87 6.976 -3.463 5.276 1.00 0.00 C ATOM 1084 O GLN A 87 6.860 -2.345 4.776 1.00 0.00 O ATOM 1085 CB GLN A 87 5.185 -5.148 5.725 1.00 0.00 C ATOM 1086 CG GLN A 87 3.919 -4.308 5.759 1.00 0.00 C ATOM 1087 CD GLN A 87 3.452 -4.008 7.170 1.00 0.00 C ATOM 1088 OE1 GLN A 87 4.207 -4.157 8.131 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.203 -3.579 7.302 1.00 0.00 N ATOM 0 H GLN A 87 7.092 -6.544 4.973 1.00 0.00 H new ATOM 0 HA GLN A 87 5.701 -4.347 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.921 -6.178 5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.633 -5.156 6.719 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.096 -3.370 5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.127 -4.830 5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.612 -3.470 6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.835 -3.358 8.227 1.00 0.00 H new ATOM 1098 N GLU A 88 7.770 -3.717 6.306 1.00 0.00 N ATOM 1099 CA GLU A 88 8.568 -2.670 6.922 1.00 0.00 C ATOM 1100 C GLU A 88 9.565 -2.125 5.912 1.00 0.00 C ATOM 1101 O GLU A 88 9.924 -0.948 5.951 1.00 0.00 O ATOM 1102 CB GLU A 88 9.301 -3.203 8.156 1.00 0.00 C ATOM 1103 CG GLU A 88 8.372 -3.582 9.298 1.00 0.00 C ATOM 1104 CD GLU A 88 8.733 -4.914 9.926 1.00 0.00 C ATOM 1105 OE1 GLU A 88 8.243 -5.953 9.439 1.00 0.00 O ATOM 1106 OE2 GLU A 88 9.506 -4.918 10.908 1.00 0.00 O ATOM 0 H GLU A 88 7.878 -4.638 6.731 1.00 0.00 H new ATOM 0 HA GLU A 88 7.905 -1.866 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.888 -4.076 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.004 -2.447 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.404 -2.804 10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.347 -3.624 8.929 1.00 0.00 H new ATOM 1113 N GLU A 89 9.994 -2.986 4.995 1.00 0.00 N ATOM 1114 CA GLU A 89 10.932 -2.579 3.958 1.00 0.00 C ATOM 1115 C GLU A 89 10.232 -1.657 2.972 1.00 0.00 C ATOM 1116 O GLU A 89 10.700 -0.554 2.689 1.00 0.00 O ATOM 1117 CB GLU A 89 11.494 -3.802 3.228 1.00 0.00 C ATOM 1118 CG GLU A 89 12.568 -4.536 4.010 1.00 0.00 C ATOM 1119 CD GLU A 89 13.898 -3.807 4.002 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.895 -2.566 4.144 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.940 -4.477 3.854 1.00 0.00 O ATOM 0 H GLU A 89 9.708 -3.964 4.950 1.00 0.00 H new ATOM 0 HA GLU A 89 11.762 -2.048 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.678 -4.492 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.906 -3.485 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.236 -4.667 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.702 -5.532 3.589 1.00 0.00 H new ATOM 1128 N VAL A 90 9.094 -2.119 2.469 1.00 0.00 N ATOM 1129 CA VAL A 90 8.297 -1.343 1.529 1.00 0.00 C ATOM 1130 C VAL A 90 7.909 -0.002 2.143 1.00 0.00 C ATOM 1131 O VAL A 90 8.055 1.052 1.517 1.00 0.00 O ATOM 1132 CB VAL A 90 7.028 -2.118 1.109 1.00 0.00 C ATOM 1133 CG1 VAL A 90 6.100 -1.242 0.280 1.00 0.00 C ATOM 1134 CG2 VAL A 90 7.408 -3.374 0.337 1.00 0.00 C ATOM 0 H VAL A 90 8.701 -3.032 2.698 1.00 0.00 H new ATOM 0 HA VAL A 90 8.902 -1.165 0.640 1.00 0.00 H new ATOM 0 HB VAL A 90 6.494 -2.410 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.215 -1.813 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.800 -0.373 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.619 -0.911 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.504 -3.910 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.968 -3.097 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.025 -4.016 0.967 1.00 0.00 H new ATOM 1144 N VAL A 91 7.435 -0.047 3.384 1.00 0.00 N ATOM 1145 CA VAL A 91 7.054 1.160 4.097 1.00 0.00 C ATOM 1146 C VAL A 91 8.268 2.060 4.283 1.00 0.00 C ATOM 1147 O VAL A 91 8.156 3.283 4.282 1.00 0.00 O ATOM 1148 CB VAL A 91 6.436 0.837 5.471 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.926 2.102 6.142 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.317 -0.186 5.327 1.00 0.00 C ATOM 0 H VAL A 91 7.307 -0.909 3.914 1.00 0.00 H new ATOM 0 HA VAL A 91 6.301 1.674 3.499 1.00 0.00 H new ATOM 0 HB VAL A 91 7.213 0.407 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.494 1.851 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.753 2.798 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.165 2.565 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.893 -0.402 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.540 0.214 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.716 -1.104 4.895 1.00 0.00 H new ATOM 1160 N SER A 92 9.434 1.437 4.426 1.00 0.00 N ATOM 1161 CA SER A 92 10.676 2.177 4.595 1.00 0.00 C ATOM 1162 C SER A 92 10.982 2.978 3.335 1.00 0.00 C ATOM 1163 O SER A 92 11.540 4.074 3.403 1.00 0.00 O ATOM 1164 CB SER A 92 11.830 1.221 4.906 1.00 0.00 C ATOM 1165 OG SER A 92 12.125 1.213 6.292 1.00 0.00 O ATOM 0 H SER A 92 9.543 0.423 4.428 1.00 0.00 H new ATOM 0 HA SER A 92 10.561 2.865 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.570 0.214 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.715 1.519 4.344 1.00 0.00 H new ATOM 0 HG SER A 92 11.576 0.535 6.739 1.00 0.00 H new ATOM 1171 N LEU A 93 10.602 2.428 2.182 1.00 0.00 N ATOM 1172 CA LEU A 93 10.829 3.103 0.908 1.00 0.00 C ATOM 1173 C LEU A 93 9.974 4.358 0.822 1.00 0.00 C ATOM 1174 O LEU A 93 10.476 5.450 0.554 1.00 0.00 O ATOM 1175 CB LEU A 93 10.507 2.185 -0.272 1.00 0.00 C ATOM 1176 CG LEU A 93 10.826 0.712 -0.051 1.00 0.00 C ATOM 1177 CD1 LEU A 93 10.406 -0.114 -1.257 1.00 0.00 C ATOM 1178 CD2 LEU A 93 12.308 0.525 0.238 1.00 0.00 C ATOM 0 H LEU A 93 10.139 1.523 2.105 1.00 0.00 H new ATOM 0 HA LEU A 93 11.884 3.373 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.447 2.280 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.060 2.533 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 93 10.261 0.364 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.642 -1.163 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.333 -0.006 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.941 0.234 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.518 -0.533 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.892 0.891 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.577 1.084 1.134 1.00 0.00 H new ATOM 1190 N LEU A 94 8.677 4.194 1.061 1.00 0.00 N ATOM 1191 CA LEU A 94 7.750 5.319 1.019 1.00 0.00 C ATOM 1192 C LEU A 94 8.013 6.267 2.184 1.00 0.00 C ATOM 1193 O LEU A 94 7.779 7.470 2.085 1.00 0.00 O ATOM 1194 CB LEU A 94 6.301 4.823 1.038 1.00 0.00 C ATOM 1195 CG LEU A 94 5.785 4.339 2.393 1.00 0.00 C ATOM 1196 CD1 LEU A 94 5.090 5.470 3.134 1.00 0.00 C ATOM 1197 CD2 LEU A 94 4.839 3.162 2.207 1.00 0.00 C ATOM 0 H LEU A 94 8.246 3.297 1.285 1.00 0.00 H new ATOM 0 HA LEU A 94 7.909 5.866 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.655 5.630 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.206 4.008 0.321 1.00 0.00 H new ATOM 0 HG LEU A 94 6.635 4.010 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.729 5.107 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.794 6.286 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.248 5.829 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.479 2.827 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.992 3.469 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.367 2.345 1.715 1.00 0.00 H new ATOM 1209 N ARG A 95 8.513 5.721 3.287 1.00 0.00 N ATOM 1210 CA ARG A 95 8.828 6.525 4.462 1.00 0.00 C ATOM 1211 C ARG A 95 10.076 7.367 4.211 1.00 0.00 C ATOM 1212 O ARG A 95 10.224 8.461 4.760 1.00 0.00 O ATOM 1213 CB ARG A 95 9.040 5.631 5.684 1.00 0.00 C ATOM 1214 CG ARG A 95 7.763 5.351 6.463 1.00 0.00 C ATOM 1215 CD ARG A 95 8.064 4.714 7.811 1.00 0.00 C ATOM 1216 NE ARG A 95 6.918 3.975 8.335 1.00 0.00 N ATOM 1217 CZ ARG A 95 5.860 4.550 8.902 1.00 0.00 C ATOM 1218 NH1 ARG A 95 5.798 5.870 9.018 1.00 0.00 N ATOM 1219 NH2 ARG A 95 4.862 3.802 9.353 1.00 0.00 N ATOM 0 H ARG A 95 8.709 4.725 3.392 1.00 0.00 H new ATOM 0 HA ARG A 95 7.986 7.190 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.473 4.685 5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.764 6.103 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.215 6.281 6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.118 4.691 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.915 4.040 7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.352 5.489 8.522 1.00 0.00 H new ATOM 0 HE ARG A 95 6.929 2.958 8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.563 6.449 8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.985 6.306 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.906 2.787 9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.051 4.242 9.788 1.00 0.00 H new ATOM 1233 N SER A 96 10.979 6.838 3.389 1.00 0.00 N ATOM 1234 CA SER A 96 12.229 7.522 3.068 1.00 0.00 C ATOM 1235 C SER A 96 11.982 8.859 2.374 1.00 0.00 C ATOM 1236 O SER A 96 12.663 9.845 2.658 1.00 0.00 O ATOM 1237 CB SER A 96 13.103 6.630 2.182 1.00 0.00 C ATOM 1238 OG SER A 96 14.447 7.080 2.174 1.00 0.00 O ATOM 0 H SER A 96 10.867 5.933 2.931 1.00 0.00 H new ATOM 0 HA SER A 96 12.745 7.724 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.062 5.602 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.711 6.627 1.165 1.00 0.00 H new ATOM 0 HG SER A 96 14.985 6.493 1.603 1.00 0.00 H new ATOM 1244 N THR A 97 11.011 8.889 1.465 1.00 0.00 N ATOM 1245 CA THR A 97 10.685 10.113 0.732 1.00 0.00 C ATOM 1246 C THR A 97 10.605 11.310 1.679 1.00 0.00 C ATOM 1247 O THR A 97 9.881 11.280 2.675 1.00 0.00 O ATOM 1248 CB THR A 97 9.362 9.945 -0.025 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.658 8.812 0.437 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.535 9.790 -1.521 1.00 0.00 C ATOM 0 H THR A 97 10.437 8.083 1.218 1.00 0.00 H new ATOM 0 HA THR A 97 11.481 10.300 0.011 1.00 0.00 H new ATOM 0 HB THR A 97 8.809 10.864 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.418 8.938 1.379 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.558 9.676 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.030 10.674 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.142 8.909 -1.728 1.00 0.00 H new ATOM 1258 N LYS A 98 11.360 12.358 1.364 1.00 0.00 N ATOM 1259 CA LYS A 98 11.385 13.564 2.188 1.00 0.00 C ATOM 1260 C LYS A 98 10.099 14.367 2.026 1.00 0.00 C ATOM 1261 O LYS A 98 9.202 13.975 1.280 1.00 0.00 O ATOM 1262 CB LYS A 98 12.589 14.432 1.820 1.00 0.00 C ATOM 1263 CG LYS A 98 13.904 13.922 2.387 1.00 0.00 C ATOM 1264 CD LYS A 98 14.996 13.895 1.329 1.00 0.00 C ATOM 1265 CE LYS A 98 15.548 15.286 1.058 1.00 0.00 C ATOM 1266 NZ LYS A 98 15.276 15.730 -0.338 1.00 0.00 N ATOM 0 H LYS A 98 11.964 12.397 0.543 1.00 0.00 H new ATOM 0 HA LYS A 98 11.469 13.257 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.668 14.487 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.418 15.447 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.215 14.558 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.763 12.919 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 98 15.804 13.240 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.598 13.475 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.105 15.995 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.623 15.291 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 15.668 16.682 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.720 15.068 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.249 15.750 -0.502 1.00 0.00 H new ATOM 1280 N MET A 99 10.018 15.497 2.726 1.00 0.00 N ATOM 1281 CA MET A 99 8.843 16.362 2.658 1.00 0.00 C ATOM 1282 C MET A 99 8.831 17.159 1.354 1.00 0.00 C ATOM 1283 O MET A 99 8.800 18.391 1.365 1.00 0.00 O ATOM 1284 CB MET A 99 8.816 17.316 3.854 1.00 0.00 C ATOM 1285 CG MET A 99 9.048 16.623 5.189 1.00 0.00 C ATOM 1286 SD MET A 99 7.573 16.597 6.227 1.00 0.00 S ATOM 1287 CE MET A 99 6.530 15.472 5.305 1.00 0.00 C ATOM 0 H MET A 99 10.753 15.835 3.347 1.00 0.00 H new ATOM 0 HA MET A 99 7.954 15.731 2.687 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.578 18.083 3.714 1.00 0.00 H new ATOM 0 HB3 MET A 99 7.853 17.825 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.379 15.600 5.010 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.853 17.130 5.721 1.00 0.00 H new ATOM 0 HE1 MET A 99 5.592 15.325 5.840 1.00 0.00 H new ATOM 0 HE2 MET A 99 6.325 15.891 4.320 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.038 14.514 5.193 1.00 0.00 H new ATOM 1297 N GLU A 100 8.863 16.440 0.234 1.00 0.00 N ATOM 1298 CA GLU A 100 8.864 17.043 -1.098 1.00 0.00 C ATOM 1299 C GLU A 100 9.375 16.030 -2.113 1.00 0.00 C ATOM 1300 O GLU A 100 10.539 16.068 -2.514 1.00 0.00 O ATOM 1301 CB GLU A 100 9.740 18.301 -1.133 1.00 0.00 C ATOM 1302 CG GLU A 100 8.945 19.596 -1.086 1.00 0.00 C ATOM 1303 CD GLU A 100 9.736 20.744 -0.490 1.00 0.00 C ATOM 1304 OE1 GLU A 100 9.744 20.879 0.751 1.00 0.00 O ATOM 1305 OE2 GLU A 100 10.349 21.507 -1.265 1.00 0.00 O ATOM 0 H GLU A 100 8.889 15.420 0.224 1.00 0.00 H new ATOM 0 HA GLU A 100 7.843 17.333 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.430 18.277 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.344 18.288 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.630 19.862 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.039 19.441 -0.500 1.00 0.00 H new ATOM 1312 N GLY A 101 8.502 15.117 -2.515 1.00 0.00 N ATOM 1313 CA GLY A 101 8.874 14.098 -3.462 1.00 0.00 C ATOM 1314 C GLY A 101 7.691 13.239 -3.835 1.00 0.00 C ATOM 1315 O GLY A 101 7.151 12.510 -3.002 1.00 0.00 O ATOM 0 H GLY A 101 7.535 15.068 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.285 14.563 -4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.660 13.474 -3.038 1.00 0.00 H new ATOM 1319 N THR A 102 7.281 13.338 -5.084 1.00 0.00 N ATOM 1320 CA THR A 102 6.140 12.579 -5.575 1.00 0.00 C ATOM 1321 C THR A 102 6.464 11.093 -5.627 1.00 0.00 C ATOM 1322 O THR A 102 7.250 10.642 -6.460 1.00 0.00 O ATOM 1323 CB THR A 102 5.727 13.073 -6.962 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.460 14.462 -6.943 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.497 12.375 -7.501 1.00 0.00 C ATOM 0 H THR A 102 7.720 13.938 -5.782 1.00 0.00 H new ATOM 0 HA THR A 102 5.310 12.730 -4.885 1.00 0.00 H new ATOM 0 HB THR A 102 6.571 12.845 -7.613 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.199 14.757 -7.840 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.257 12.771 -8.488 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.690 11.305 -7.577 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.657 12.546 -6.827 1.00 0.00 H new ATOM 1333 N VAL A 103 5.844 10.340 -4.725 1.00 0.00 N ATOM 1334 CA VAL A 103 6.049 8.902 -4.649 1.00 0.00 C ATOM 1335 C VAL A 103 4.982 8.170 -5.450 1.00 0.00 C ATOM 1336 O VAL A 103 3.807 8.167 -5.081 1.00 0.00 O ATOM 1337 CB VAL A 103 6.011 8.404 -3.188 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.648 7.027 -3.070 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.688 9.396 -2.258 1.00 0.00 C ATOM 0 H VAL A 103 5.191 10.707 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 103 7.034 8.692 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 103 4.967 8.321 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.610 6.696 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.104 6.320 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.687 7.077 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.648 9.022 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.728 9.523 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.174 10.356 -2.314 1.00 0.00 H new ATOM 1349 N SER A 104 5.396 7.556 -6.552 1.00 0.00 N ATOM 1350 CA SER A 104 4.471 6.826 -7.409 1.00 0.00 C ATOM 1351 C SER A 104 4.277 5.405 -6.899 1.00 0.00 C ATOM 1352 O SER A 104 5.208 4.599 -6.899 1.00 0.00 O ATOM 1353 CB SER A 104 4.986 6.800 -8.849 1.00 0.00 C ATOM 1354 OG SER A 104 3.914 6.768 -9.774 1.00 0.00 O ATOM 0 H SER A 104 6.364 7.549 -6.872 1.00 0.00 H new ATOM 0 HA SER A 104 3.509 7.338 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.603 7.679 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.622 5.927 -8.995 1.00 0.00 H new ATOM 0 HG SER A 104 3.155 6.291 -9.378 1.00 0.00 H new ATOM 1360 N LEU A 105 3.060 5.102 -6.457 1.00 0.00 N ATOM 1361 CA LEU A 105 2.745 3.778 -5.937 1.00 0.00 C ATOM 1362 C LEU A 105 1.726 3.072 -6.823 1.00 0.00 C ATOM 1363 O LEU A 105 0.596 3.536 -6.979 1.00 0.00 O ATOM 1364 CB LEU A 105 2.208 3.882 -4.508 1.00 0.00 C ATOM 1365 CG LEU A 105 2.888 4.941 -3.631 1.00 0.00 C ATOM 1366 CD1 LEU A 105 1.856 5.891 -3.041 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.698 4.279 -2.525 1.00 0.00 C ATOM 0 H LEU A 105 2.277 5.756 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 105 3.663 3.191 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.141 4.101 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.314 2.911 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 105 3.568 5.519 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.358 6.635 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.320 6.392 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.150 5.328 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.173 5.046 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.038 3.675 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.464 3.641 -2.967 1.00 0.00 H new ATOM 1379 N LEU A 106 2.128 1.940 -7.391 1.00 0.00 N ATOM 1380 CA LEU A 106 1.245 1.161 -8.247 1.00 0.00 C ATOM 1381 C LEU A 106 0.410 0.209 -7.404 1.00 0.00 C ATOM 1382 O LEU A 106 0.944 -0.688 -6.753 1.00 0.00 O ATOM 1383 CB LEU A 106 2.054 0.375 -9.278 1.00 0.00 C ATOM 1384 CG LEU A 106 1.231 -0.544 -10.186 1.00 0.00 C ATOM 1385 CD1 LEU A 106 0.829 0.185 -11.459 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.011 -1.806 -10.515 1.00 0.00 C ATOM 0 H LEU A 106 3.060 1.543 -7.273 1.00 0.00 H new ATOM 0 HA LEU A 106 0.581 1.845 -8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.602 1.081 -9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.795 -0.228 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 106 0.324 -0.831 -9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.245 -0.483 -12.092 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.230 1.059 -11.204 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.724 0.502 -11.995 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.411 -2.447 -11.161 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.936 -1.539 -11.027 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.247 -2.338 -9.594 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.901 0.413 -7.408 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.801 -0.425 -6.630 1.00 0.00 C ATOM 1400 C VAL A 107 -2.553 -1.411 -7.516 1.00 0.00 C ATOM 1401 O VAL A 107 -2.549 -1.291 -8.742 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.814 0.429 -5.844 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -2.093 1.460 -4.989 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.795 1.110 -6.790 1.00 0.00 C ATOM 0 H VAL A 107 -1.363 1.150 -7.940 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.184 -0.985 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.378 -0.231 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.824 2.054 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.436 0.952 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.501 2.114 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.501 1.708 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.249 1.756 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.338 0.354 -7.357 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.198 -2.385 -6.887 1.00 0.00 N ATOM 1415 CA PHE A 108 -3.957 -3.395 -7.613 1.00 0.00 C ATOM 1416 C PHE A 108 -5.369 -3.516 -7.050 1.00 0.00 C ATOM 1417 O PHE A 108 -5.558 -3.874 -5.887 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.238 -4.744 -7.543 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.043 -5.896 -8.077 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -4.112 -6.138 -9.439 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -4.727 -6.738 -7.215 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -4.849 -7.198 -9.933 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -5.465 -7.799 -7.702 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.527 -8.029 -9.062 1.00 0.00 C ATOM 0 H PHE A 108 -3.211 -2.497 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.031 -3.089 -8.657 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.305 -4.676 -8.103 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.973 -4.949 -6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -3.584 -5.491 -10.123 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.683 -6.563 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.895 -7.376 -10.997 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.993 -8.448 -7.019 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.105 -8.857 -9.444 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.356 -3.216 -7.885 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.754 -3.292 -7.477 1.00 0.00 C ATOM 1436 C ARG A 109 -8.412 -4.551 -8.032 1.00 0.00 C ATOM 1437 O ARG A 109 -8.724 -4.629 -9.220 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.512 -2.048 -7.948 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.048 -1.197 -6.810 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.021 -0.143 -7.312 1.00 0.00 C ATOM 1441 NE ARG A 109 -10.528 0.694 -6.227 1.00 0.00 N ATOM 1442 CZ ARG A 109 -11.085 1.889 -6.411 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -11.207 2.391 -7.633 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -11.522 2.583 -5.371 1.00 0.00 N ATOM 0 H ARG A 109 -6.214 -2.917 -8.850 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.791 -3.337 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.849 -1.440 -8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.343 -2.357 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.546 -1.835 -6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.219 -0.712 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.526 0.484 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.856 -0.631 -7.815 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.451 0.342 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.873 1.861 -8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.635 3.307 -7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.432 2.202 -4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.949 3.499 -5.512 1.00 0.00 H new ATOM 1458 N GLN A 110 -8.618 -5.535 -7.164 1.00 0.00 N ATOM 1459 CA GLN A 110 -9.238 -6.791 -7.565 1.00 0.00 C ATOM 1460 C GLN A 110 -10.730 -6.605 -7.821 1.00 0.00 C ATOM 1461 O GLN A 110 -11.413 -5.899 -7.078 1.00 0.00 O ATOM 1462 CB GLN A 110 -9.021 -7.856 -6.490 1.00 0.00 C ATOM 1463 CG GLN A 110 -8.937 -9.270 -7.039 1.00 0.00 C ATOM 1464 CD GLN A 110 -8.115 -10.191 -6.158 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -6.968 -10.507 -6.472 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -8.701 -10.625 -5.048 1.00 0.00 N ATOM 0 H GLN A 110 -8.364 -5.486 -6.177 1.00 0.00 H new ATOM 0 HA GLN A 110 -8.768 -7.120 -8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -8.102 -7.631 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -9.837 -7.803 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -9.943 -9.676 -7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -8.500 -9.243 -8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -9.654 -10.336 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -8.198 -11.247 -4.415 1.00 0.00 H new ATOM 1475 N GLU A 111 -11.229 -7.241 -8.874 1.00 0.00 N ATOM 1476 CA GLU A 111 -12.641 -7.146 -9.228 1.00 0.00 C ATOM 1477 C GLU A 111 -13.360 -8.463 -8.952 1.00 0.00 C ATOM 1478 O GLU A 111 -13.135 -9.461 -9.636 1.00 0.00 O ATOM 1479 CB GLU A 111 -12.794 -6.768 -10.702 1.00 0.00 C ATOM 1480 CG GLU A 111 -14.224 -6.441 -11.099 1.00 0.00 C ATOM 1481 CD GLU A 111 -14.413 -6.385 -12.604 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -14.076 -5.345 -13.206 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -14.897 -7.383 -13.177 1.00 0.00 O ATOM 0 H GLU A 111 -10.677 -7.829 -9.499 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.093 -6.369 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.160 -5.907 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.433 -7.591 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.894 -7.191 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.508 -5.482 -10.665 1.00 0.00 H new ATOM 1490 N GLU A 112 -14.227 -8.457 -7.944 1.00 0.00 N ATOM 1491 CA GLU A 112 -14.979 -9.651 -7.576 1.00 0.00 C ATOM 1492 C GLU A 112 -16.076 -9.939 -8.596 1.00 0.00 C ATOM 1493 O GLU A 112 -16.066 -10.978 -9.256 1.00 0.00 O ATOM 1494 CB GLU A 112 -15.592 -9.484 -6.184 1.00 0.00 C ATOM 1495 CG GLU A 112 -14.582 -9.626 -5.055 1.00 0.00 C ATOM 1496 CD GLU A 112 -15.170 -9.277 -3.702 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -15.502 -8.093 -3.486 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -15.297 -10.189 -2.857 1.00 0.00 O ATOM 0 H GLU A 112 -14.426 -7.639 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.289 -10.495 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -16.063 -8.503 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -16.380 -10.225 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.209 -10.650 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.727 -8.980 -5.253 1.00 0.00 H new ATOM 1505 N ALA A 113 -17.021 -9.012 -8.719 1.00 0.00 N ATOM 1506 CA ALA A 113 -18.126 -9.168 -9.658 1.00 0.00 C ATOM 1507 C ALA A 113 -18.862 -7.849 -9.866 1.00 0.00 C ATOM 1508 O ALA A 113 -18.655 -6.887 -9.125 1.00 0.00 O ATOM 1509 CB ALA A 113 -19.088 -10.239 -9.166 1.00 0.00 C ATOM 0 H ALA A 113 -17.044 -8.146 -8.181 1.00 0.00 H new ATOM 0 HA ALA A 113 -17.713 -9.478 -10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -19.908 -10.345 -9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -18.560 -11.189 -9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -19.486 -9.951 -8.193 1.00 0.00 H new TER 1515 ALA A 113