USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 ASN :FLIP amide:sc= -0.0913 F(o=-4.6,f=-2) USER MOD Set 1.2: A 7 ASN :FLIP amide:sc= -2.93! C(o=-3.6!,f=-2!) USER MOD Set 1.3: A 113 THR OG1 : rot -157:sc= 1.04 USER MOD Set 2.1: A 61 LYS NZ :NH3+ -132:sc= 0.0334 (180deg=0) USER MOD Set 2.2: A 62 SER OG : rot 97:sc= 1.28 USER MOD Set 3.1: A 42 THR OG1 : rot -10:sc= -0.902 USER MOD Set 3.2: A 47 SER OG : rot -71:sc= -0.462 USER MOD Set 4.1: A 34 MET CE :methyl -152:sc= 0 (180deg=-0.00922) USER MOD Set 4.2: A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 8 GLN :FLIP amide:sc= -5.09! C(o=-10!,f=-5.1!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 1.02 (180deg=0.911) USER MOD Single : A 15 SER OG : rot 180:sc= -0.607 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 22:sc= -0.383! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.169 F(o=-1.3!,f=-0.17) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= -6.9! (180deg=-7.16!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 79:sc= -0.904! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 172:sc=-0.00334 (180deg=-0.0629) USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= -0.0169 (180deg=-0.212) USER MOD Single : A 84 LYS NZ :NH3+ -154:sc= -0.499 (180deg=-2.52!) USER MOD Single : A 86 ASN :FLIP amide:sc= 0.0785 F(o=-2.7!,f=0.078) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0454 F(o=-1.1!,f=-0.045) USER MOD Single : A 89 GLN :FLIP amide:sc= -2.18 F(o=-8.2!,f=-2.2) USER MOD Single : A 91 GLN : amide:sc= 0.13 K(o=0.13,f=-0.7) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -76:sc= 0.885 USER MOD Single : A 96 SER OG : rot 180:sc= -0.445 USER MOD Single : A 98 MET CE :methyl -139:sc= -0.675 (180deg=-2.89!) USER MOD Single : A 103 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-4.4!) USER MOD Single : A 105 THR OG1 : rot 160:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 83:sc= 0.175 USER MOD Single : A 114 ASN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 -0.763 5.101 7.158 1.00 0.00 N ATOM 19 CA ASN A 2 -1.789 5.903 6.511 1.00 0.00 C ATOM 20 C ASN A 2 -2.248 6.908 7.533 1.00 0.00 C ATOM 21 O ASN A 2 -2.752 6.537 8.589 1.00 0.00 O ATOM 22 CB ASN A 2 -2.975 5.017 6.096 1.00 0.00 C ATOM 23 CG ASN A 2 -2.632 3.903 5.113 1.00 0.00 C ATOM 24 OD1 ASN A 2 -3.611 3.443 4.368 1.00 0.00 O flip ATOM 25 ND2 ASN A 2 -1.500 3.412 5.074 1.00 0.00 N flip ATOM 0 HA ASN A 2 -1.400 6.386 5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.407 4.571 6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.744 5.649 5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.759 3.790 5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.305 2.628 4.451 1.00 0.00 H new ATOM 32 N THR A 3 -2.077 8.161 7.252 1.00 0.00 N ATOM 33 CA THR A 3 -2.282 9.137 8.279 1.00 0.00 C ATOM 34 C THR A 3 -3.254 10.267 7.859 1.00 0.00 C ATOM 35 O THR A 3 -3.857 10.239 6.740 1.00 0.00 O ATOM 36 CB THR A 3 -0.887 9.656 8.702 1.00 0.00 C ATOM 37 OG1 THR A 3 -0.966 10.508 9.847 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.223 10.394 7.553 1.00 0.00 C ATOM 0 H THR A 3 -1.802 8.529 6.341 1.00 0.00 H new ATOM 0 HA THR A 3 -2.780 8.679 9.133 1.00 0.00 H new ATOM 0 HB THR A 3 -0.283 8.788 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.068 10.816 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.757 10.752 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.107 9.719 6.705 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.842 11.242 7.259 1.00 0.00 H new ATOM 46 N ASP A 4 -3.380 11.265 8.735 1.00 0.00 N ATOM 47 CA ASP A 4 -4.292 12.402 8.675 1.00 0.00 C ATOM 48 C ASP A 4 -3.865 13.393 7.625 1.00 0.00 C ATOM 49 O ASP A 4 -3.170 14.377 7.912 1.00 0.00 O ATOM 50 CB ASP A 4 -4.378 13.114 10.030 1.00 0.00 C ATOM 51 CG ASP A 4 -4.788 12.209 11.165 1.00 0.00 C ATOM 52 OD1 ASP A 4 -3.895 11.573 11.781 1.00 0.00 O ATOM 53 OD2 ASP A 4 -5.988 12.129 11.472 1.00 0.00 O ATOM 0 H ASP A 4 -2.798 11.299 9.572 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.274 12.007 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.408 13.555 10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.092 13.934 9.955 1.00 0.00 H new ATOM 58 N VAL A 5 -4.172 13.055 6.393 1.00 0.00 N ATOM 59 CA VAL A 5 -3.843 13.839 5.233 1.00 0.00 C ATOM 60 C VAL A 5 -4.471 13.163 4.026 1.00 0.00 C ATOM 61 O VAL A 5 -5.026 13.797 3.150 1.00 0.00 O ATOM 62 CB VAL A 5 -2.293 13.933 5.060 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.642 12.563 4.911 1.00 0.00 C ATOM 64 CG2 VAL A 5 -1.907 14.864 3.922 1.00 0.00 C ATOM 0 H VAL A 5 -4.675 12.197 6.168 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.225 14.854 5.341 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.904 14.367 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.565 12.683 4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.846 11.965 5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.049 12.060 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.821 14.902 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.333 14.495 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.290 15.864 4.125 1.00 0.00 H new ATOM 74 N LEU A 6 -4.450 11.840 4.027 1.00 0.00 N ATOM 75 CA LEU A 6 -4.949 11.121 2.896 1.00 0.00 C ATOM 76 C LEU A 6 -5.940 10.049 3.269 1.00 0.00 C ATOM 77 O LEU A 6 -6.926 9.892 2.599 1.00 0.00 O ATOM 78 CB LEU A 6 -3.773 10.535 2.098 1.00 0.00 C ATOM 79 CG LEU A 6 -2.858 9.548 2.843 1.00 0.00 C ATOM 80 CD1 LEU A 6 -3.365 8.114 2.788 1.00 0.00 C ATOM 81 CD2 LEU A 6 -1.447 9.650 2.345 1.00 0.00 C ATOM 0 H LEU A 6 -4.097 11.262 4.790 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.496 11.829 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.175 10.030 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.161 11.362 1.738 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.874 9.835 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.678 7.464 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.353 8.060 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.427 7.790 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.818 8.943 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.419 9.419 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.077 10.662 2.506 1.00 0.00 H new ATOM 93 N ASN A 7 -5.703 9.319 4.338 1.00 0.00 N ATOM 94 CA ASN A 7 -6.544 8.168 4.570 1.00 0.00 C ATOM 95 C ASN A 7 -7.848 8.519 5.187 1.00 0.00 C ATOM 96 O ASN A 7 -8.854 8.056 4.776 1.00 0.00 O ATOM 97 CB ASN A 7 -5.858 7.074 5.330 1.00 0.00 C ATOM 98 CG ASN A 7 -6.162 5.721 4.692 1.00 0.00 C ATOM 99 OD1 ASN A 7 -6.133 5.642 3.374 1.00 0.00 O flip ATOM 100 ND2 ASN A 7 -6.349 4.736 5.368 1.00 0.00 N flip ATOM 0 H ASN A 7 -4.972 9.490 5.029 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.755 7.773 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.782 7.247 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.190 7.078 6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.369 4.812 6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.487 3.829 4.921 1.00 0.00 H new ATOM 107 N GLN A 8 -7.861 9.445 6.068 1.00 0.00 N ATOM 108 CA GLN A 8 -9.119 9.848 6.623 1.00 0.00 C ATOM 109 C GLN A 8 -9.717 10.988 5.817 1.00 0.00 C ATOM 110 O GLN A 8 -10.907 11.087 5.679 1.00 0.00 O ATOM 111 CB GLN A 8 -9.075 10.060 8.159 1.00 0.00 C ATOM 112 CG GLN A 8 -7.823 10.739 8.710 1.00 0.00 C ATOM 113 CD GLN A 8 -7.597 12.093 8.105 1.00 0.00 C ATOM 114 OE1 GLN A 8 -6.845 12.124 7.025 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -8.069 13.100 8.597 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.041 9.937 6.423 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.820 9.019 6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.942 10.654 8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.179 9.088 8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.912 10.837 9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.955 10.108 8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.647 13.036 9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.887 14.009 8.172 1.00 0.00 H new ATOM 124 N GLN A 9 -8.873 11.755 5.144 1.00 0.00 N ATOM 125 CA GLN A 9 -9.365 12.858 4.378 1.00 0.00 C ATOM 126 C GLN A 9 -9.744 12.391 2.990 1.00 0.00 C ATOM 127 O GLN A 9 -10.917 12.260 2.654 1.00 0.00 O ATOM 128 CB GLN A 9 -8.334 13.994 4.307 1.00 0.00 C ATOM 129 CG GLN A 9 -8.183 14.788 5.597 1.00 0.00 C ATOM 130 CD GLN A 9 -7.024 15.765 5.548 1.00 0.00 C ATOM 131 OE1 GLN A 9 -6.664 16.276 4.489 1.00 0.00 O ATOM 132 NE2 GLN A 9 -6.421 16.025 6.684 1.00 0.00 N ATOM 0 H GLN A 9 -7.861 11.626 5.120 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.252 13.252 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.365 13.573 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.618 14.676 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.106 15.334 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.037 14.099 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.744 15.585 7.545 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.629 16.668 6.706 1.00 0.00 H new ATOM 141 N LYS A 10 -8.732 12.031 2.236 1.00 0.00 N ATOM 142 CA LYS A 10 -8.899 11.641 0.861 1.00 0.00 C ATOM 143 C LYS A 10 -9.455 10.265 0.633 1.00 0.00 C ATOM 144 O LYS A 10 -9.807 9.935 -0.481 1.00 0.00 O ATOM 145 CB LYS A 10 -7.673 11.927 0.040 1.00 0.00 C ATOM 146 CG LYS A 10 -7.596 13.390 -0.293 1.00 0.00 C ATOM 147 CD LYS A 10 -6.358 13.756 -1.051 1.00 0.00 C ATOM 148 CE LYS A 10 -5.110 13.599 -0.207 1.00 0.00 C ATOM 149 NZ LYS A 10 -3.995 14.377 -0.778 1.00 0.00 N ATOM 0 H LYS A 10 -7.766 12.001 2.563 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.697 12.288 0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.781 11.625 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.697 11.339 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.470 13.669 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.634 13.969 0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.277 13.128 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.435 14.787 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.309 13.933 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.834 12.546 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.174 14.325 -0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.738 13.986 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.285 15.370 -0.889 1.00 0.00 H new ATOM 163 N ILE A 11 -9.593 9.457 1.658 1.00 0.00 N ATOM 164 CA ILE A 11 -10.271 8.257 1.409 1.00 0.00 C ATOM 165 C ILE A 11 -11.681 8.433 1.803 1.00 0.00 C ATOM 166 O ILE A 11 -12.528 7.831 1.238 1.00 0.00 O ATOM 167 CB ILE A 11 -9.627 7.029 2.067 1.00 0.00 C ATOM 168 CG1 ILE A 11 -9.381 5.998 1.016 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.515 6.415 3.164 1.00 0.00 C ATOM 170 CD1 ILE A 11 -8.848 4.698 1.554 1.00 0.00 C ATOM 0 H ILE A 11 -9.259 9.613 2.609 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.207 8.042 0.342 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.698 7.352 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.313 5.806 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.674 6.396 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.013 5.550 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.697 7.156 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.466 6.104 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.695 3.999 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.900 4.876 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.563 4.276 2.260 1.00 0.00 H new ATOM 182 N GLU A 12 -11.953 9.318 2.723 1.00 0.00 N ATOM 183 CA GLU A 12 -13.315 9.494 3.102 1.00 0.00 C ATOM 184 C GLU A 12 -14.123 10.061 1.940 1.00 0.00 C ATOM 185 O GLU A 12 -15.263 9.649 1.692 1.00 0.00 O ATOM 186 CB GLU A 12 -13.371 10.348 4.327 1.00 0.00 C ATOM 187 CG GLU A 12 -13.727 9.567 5.579 1.00 0.00 C ATOM 188 CD GLU A 12 -15.041 8.831 5.435 1.00 0.00 C ATOM 189 OE1 GLU A 12 -16.108 9.446 5.648 1.00 0.00 O ATOM 190 OE2 GLU A 12 -15.040 7.624 5.123 1.00 0.00 O ATOM 0 H GLU A 12 -11.273 9.906 3.205 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.770 8.534 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.405 10.832 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.105 11.140 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.934 8.852 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.785 10.249 6.427 1.00 0.00 H new ATOM 197 N GLU A 13 -13.479 10.939 1.194 1.00 0.00 N ATOM 198 CA GLU A 13 -14.071 11.590 0.030 1.00 0.00 C ATOM 199 C GLU A 13 -14.033 10.691 -1.219 1.00 0.00 C ATOM 200 O GLU A 13 -14.994 10.637 -1.980 1.00 0.00 O ATOM 201 CB GLU A 13 -13.351 12.901 -0.255 1.00 0.00 C ATOM 202 CG GLU A 13 -11.856 12.748 -0.418 1.00 0.00 C ATOM 203 CD GLU A 13 -11.167 14.042 -0.770 1.00 0.00 C ATOM 204 OE1 GLU A 13 -11.076 14.370 -1.972 1.00 0.00 O ATOM 205 OE2 GLU A 13 -10.706 14.740 0.141 1.00 0.00 O ATOM 0 H GLU A 13 -12.518 11.227 1.378 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.118 11.786 0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.764 13.343 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.550 13.599 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.433 12.358 0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.654 12.012 -1.196 1.00 0.00 H new ATOM 212 N LEU A 14 -12.922 9.997 -1.430 1.00 0.00 N ATOM 213 CA LEU A 14 -12.772 9.162 -2.617 1.00 0.00 C ATOM 214 C LEU A 14 -13.414 7.810 -2.427 1.00 0.00 C ATOM 215 O LEU A 14 -13.896 7.216 -3.386 1.00 0.00 O ATOM 216 CB LEU A 14 -11.313 9.042 -3.044 1.00 0.00 C ATOM 217 CG LEU A 14 -10.686 10.326 -3.596 1.00 0.00 C ATOM 218 CD1 LEU A 14 -9.197 10.152 -3.816 1.00 0.00 C ATOM 219 CD2 LEU A 14 -11.364 10.733 -4.895 1.00 0.00 C ATOM 0 H LEU A 14 -12.118 9.994 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.301 9.659 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.727 8.710 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.236 8.264 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.833 11.116 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.776 11.078 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.715 9.907 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.026 9.345 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.906 11.647 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.248 9.937 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.425 10.907 -4.713 1.00 0.00 H new ATOM 231 N SER A 15 -13.294 7.252 -1.237 1.00 0.00 N ATOM 232 CA SER A 15 -14.096 6.108 -0.914 1.00 0.00 C ATOM 233 C SER A 15 -15.573 6.512 -0.996 1.00 0.00 C ATOM 234 O SER A 15 -16.147 6.384 -2.061 1.00 0.00 O ATOM 235 CB SER A 15 -13.692 5.453 0.420 1.00 0.00 C ATOM 236 OG SER A 15 -12.453 4.787 0.298 1.00 0.00 O ATOM 0 H SER A 15 -12.663 7.569 -0.501 1.00 0.00 H new ATOM 0 HA SER A 15 -13.920 5.318 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.626 6.213 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.461 4.746 0.730 1.00 0.00 H new ATOM 0 HG SER A 15 -12.215 4.380 1.157 1.00 0.00 H new ATOM 242 N ALA A 16 -16.180 6.983 0.087 1.00 0.00 N ATOM 243 CA ALA A 16 -17.552 7.502 0.017 1.00 0.00 C ATOM 244 C ALA A 16 -18.531 6.548 -0.715 1.00 0.00 C ATOM 245 O ALA A 16 -18.499 5.339 -0.530 1.00 0.00 O ATOM 246 CB ALA A 16 -17.503 8.875 -0.647 1.00 0.00 C ATOM 0 H ALA A 16 -15.756 7.019 1.014 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.947 7.583 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.511 9.284 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.878 9.543 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.085 8.780 -1.649 1.00 0.00 H new ATOM 252 N GLU A 17 -19.355 7.109 -1.578 1.00 0.00 N ATOM 253 CA GLU A 17 -20.310 6.381 -2.406 1.00 0.00 C ATOM 254 C GLU A 17 -19.626 5.683 -3.569 1.00 0.00 C ATOM 255 O GLU A 17 -20.280 5.065 -4.412 1.00 0.00 O ATOM 256 CB GLU A 17 -21.333 7.318 -3.025 1.00 0.00 C ATOM 257 CG GLU A 17 -22.206 8.102 -2.062 1.00 0.00 C ATOM 258 CD GLU A 17 -21.553 9.337 -1.475 1.00 0.00 C ATOM 259 OE1 GLU A 17 -20.814 9.233 -0.477 1.00 0.00 O ATOM 260 OE2 GLU A 17 -21.806 10.440 -1.983 1.00 0.00 O ATOM 0 H GLU A 17 -19.383 8.117 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.784 5.660 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.804 8.028 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -21.983 6.732 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.117 8.401 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -22.505 7.444 -1.246 1.00 0.00 H new ATOM 267 N ILE A 18 -18.332 5.744 -3.609 1.00 0.00 N ATOM 268 CA ILE A 18 -17.593 5.175 -4.683 1.00 0.00 C ATOM 269 C ILE A 18 -16.725 4.074 -4.170 1.00 0.00 C ATOM 270 O ILE A 18 -17.173 2.922 -4.204 1.00 0.00 O ATOM 271 CB ILE A 18 -16.933 6.223 -5.636 1.00 0.00 C ATOM 272 CG1 ILE A 18 -15.771 5.615 -6.404 1.00 0.00 C ATOM 273 CG2 ILE A 18 -16.544 7.509 -4.919 1.00 0.00 C ATOM 274 CD1 ILE A 18 -15.048 6.562 -7.336 1.00 0.00 C ATOM 0 H ILE A 18 -17.760 6.192 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 18 -18.283 4.700 -5.380 1.00 0.00 H new ATOM 0 HB ILE A 18 -17.691 6.510 -6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -15.052 5.216 -5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -16.143 4.772 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.091 8.199 -5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -17.433 7.967 -4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.830 7.282 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -14.237 6.032 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.746 6.943 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.639 7.394 -6.763 1.00 0.00 H new ATOM 286 N GLY A 19 -15.516 4.299 -3.689 1.00 0.00 N ATOM 287 CA GLY A 19 -14.704 3.326 -3.065 1.00 0.00 C ATOM 288 C GLY A 19 -15.307 2.474 -2.004 1.00 0.00 C ATOM 289 O GLY A 19 -14.768 1.437 -1.752 1.00 0.00 O ATOM 0 H GLY A 19 -15.072 5.216 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.321 2.666 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.846 3.839 -2.631 1.00 0.00 H new ATOM 293 N SER A 20 -16.407 2.824 -1.407 1.00 0.00 N ATOM 294 CA SER A 20 -16.948 1.928 -0.416 1.00 0.00 C ATOM 295 C SER A 20 -17.422 0.613 -1.070 1.00 0.00 C ATOM 296 O SER A 20 -17.614 -0.386 -0.389 1.00 0.00 O ATOM 297 CB SER A 20 -17.997 2.633 0.423 1.00 0.00 C ATOM 298 OG SER A 20 -18.547 1.788 1.424 1.00 0.00 O ATOM 0 H SER A 20 -16.932 3.683 -1.574 1.00 0.00 H new ATOM 0 HA SER A 20 -16.166 1.634 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.552 3.509 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.796 2.992 -0.226 1.00 0.00 H new ATOM 0 HG SER A 20 -19.216 2.285 1.940 1.00 0.00 H new ATOM 304 N ASP A 21 -17.606 0.635 -2.395 1.00 0.00 N ATOM 305 CA ASP A 21 -17.803 -0.601 -3.152 1.00 0.00 C ATOM 306 C ASP A 21 -16.599 -0.952 -4.009 1.00 0.00 C ATOM 307 O ASP A 21 -16.533 -2.042 -4.555 1.00 0.00 O ATOM 308 CB ASP A 21 -19.023 -0.547 -4.067 1.00 0.00 C ATOM 309 CG ASP A 21 -20.338 -0.557 -3.334 1.00 0.00 C ATOM 310 OD1 ASP A 21 -20.731 -1.629 -2.815 1.00 0.00 O ATOM 311 OD2 ASP A 21 -21.027 0.482 -3.304 1.00 0.00 O ATOM 0 H ASP A 21 -17.622 1.486 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.954 -1.366 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.966 0.353 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.992 -1.397 -4.748 1.00 0.00 H new ATOM 316 N ASN A 22 -15.651 -0.043 -4.173 1.00 0.00 N ATOM 317 CA ASN A 22 -14.510 -0.314 -5.045 1.00 0.00 C ATOM 318 C ASN A 22 -13.205 -0.561 -4.256 1.00 0.00 C ATOM 319 O ASN A 22 -12.480 -1.515 -4.531 1.00 0.00 O ATOM 320 CB ASN A 22 -14.359 0.844 -6.056 1.00 0.00 C ATOM 321 CG ASN A 22 -13.284 0.611 -7.113 1.00 0.00 C ATOM 322 OD1 ASN A 22 -13.553 0.013 -8.147 1.00 0.00 O ATOM 323 ND2 ASN A 22 -12.088 1.126 -6.894 1.00 0.00 N ATOM 0 H ASN A 22 -15.643 0.873 -3.725 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.703 -1.240 -5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.315 1.004 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -14.126 1.759 -5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.355 1.031 -7.597 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.897 1.618 -6.021 1.00 0.00 H new ATOM 330 N VAL A 23 -12.936 0.279 -3.260 1.00 0.00 N ATOM 331 CA VAL A 23 -11.690 0.216 -2.477 1.00 0.00 C ATOM 332 C VAL A 23 -11.449 -1.092 -1.699 1.00 0.00 C ATOM 333 O VAL A 23 -10.342 -1.624 -1.792 1.00 0.00 O ATOM 334 CB VAL A 23 -11.392 1.477 -1.597 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.530 2.749 -2.388 1.00 0.00 C ATOM 336 CG2 VAL A 23 -12.156 1.553 -0.286 1.00 0.00 C ATOM 0 H VAL A 23 -13.569 1.023 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.946 0.218 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.351 1.357 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.316 3.603 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.827 2.737 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.547 2.830 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.877 2.463 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.227 1.566 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.913 0.685 0.327 1.00 0.00 H new ATOM 346 N PRO A 24 -12.444 -1.677 -0.955 1.00 0.00 N ATOM 347 CA PRO A 24 -12.183 -2.907 -0.213 1.00 0.00 C ATOM 348 C PRO A 24 -12.024 -4.062 -1.181 1.00 0.00 C ATOM 349 O PRO A 24 -11.347 -5.041 -0.893 1.00 0.00 O ATOM 350 CB PRO A 24 -13.432 -3.085 0.652 1.00 0.00 C ATOM 351 CG PRO A 24 -14.512 -2.403 -0.105 1.00 0.00 C ATOM 352 CD PRO A 24 -13.858 -1.242 -0.785 1.00 0.00 C ATOM 0 HA PRO A 24 -11.271 -2.870 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.661 -4.140 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.298 -2.641 1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.967 -3.077 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.307 -2.069 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.327 -1.025 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.928 -0.336 -0.184 1.00 0.00 H new ATOM 360 N VAL A 25 -12.707 -3.943 -2.314 1.00 0.00 N ATOM 361 CA VAL A 25 -12.565 -4.926 -3.358 1.00 0.00 C ATOM 362 C VAL A 25 -11.113 -4.985 -3.816 1.00 0.00 C ATOM 363 O VAL A 25 -10.447 -5.990 -3.618 1.00 0.00 O ATOM 364 CB VAL A 25 -13.504 -4.663 -4.559 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.277 -5.692 -5.661 1.00 0.00 C ATOM 366 CG2 VAL A 25 -14.948 -4.721 -4.101 1.00 0.00 C ATOM 0 H VAL A 25 -13.354 -3.183 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.858 -5.889 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.284 -3.673 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.948 -5.486 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.244 -5.635 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.476 -6.691 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.607 -4.535 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.159 -5.707 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.118 -3.963 -3.337 1.00 0.00 H new ATOM 376 N LEU A 26 -10.607 -3.870 -4.316 1.00 0.00 N ATOM 377 CA LEU A 26 -9.285 -3.745 -4.911 1.00 0.00 C ATOM 378 C LEU A 26 -8.196 -4.162 -3.880 1.00 0.00 C ATOM 379 O LEU A 26 -7.447 -5.127 -4.074 1.00 0.00 O ATOM 380 CB LEU A 26 -9.123 -2.241 -5.329 1.00 0.00 C ATOM 381 CG LEU A 26 -8.208 -1.900 -6.526 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.822 -2.459 -6.353 1.00 0.00 C ATOM 383 CD2 LEU A 26 -8.828 -2.385 -7.825 1.00 0.00 C ATOM 0 H LEU A 26 -11.126 -2.992 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.171 -4.396 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.116 -1.850 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.751 -1.695 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.114 -0.815 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.213 -2.195 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.372 -2.043 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.876 -3.544 -6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.170 -2.136 -8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.965 -3.465 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.794 -1.902 -7.970 1.00 0.00 H new ATOM 395 N LEU A 27 -8.100 -3.319 -2.881 1.00 0.00 N ATOM 396 CA LEU A 27 -7.146 -3.551 -1.801 1.00 0.00 C ATOM 397 C LEU A 27 -7.129 -5.020 -1.304 1.00 0.00 C ATOM 398 O LEU A 27 -6.066 -5.589 -1.115 1.00 0.00 O ATOM 399 CB LEU A 27 -7.472 -2.640 -0.631 1.00 0.00 C ATOM 400 CG LEU A 27 -6.657 -2.875 0.639 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.203 -2.461 0.450 1.00 0.00 C ATOM 402 CD2 LEU A 27 -7.285 -2.181 1.837 1.00 0.00 C ATOM 0 H LEU A 27 -8.660 -2.472 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.158 -3.334 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.327 -1.607 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.529 -2.754 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.666 -3.946 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.651 -2.641 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.761 -3.044 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.156 -1.401 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.680 -2.368 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.334 -1.108 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.291 -2.568 1.995 1.00 0.00 H new ATOM 414 N ASP A 28 -8.282 -5.647 -1.127 1.00 0.00 N ATOM 415 CA ASP A 28 -8.288 -6.998 -0.566 1.00 0.00 C ATOM 416 C ASP A 28 -7.885 -8.048 -1.595 1.00 0.00 C ATOM 417 O ASP A 28 -7.195 -9.008 -1.263 1.00 0.00 O ATOM 418 CB ASP A 28 -9.648 -7.355 0.036 1.00 0.00 C ATOM 419 CG ASP A 28 -9.610 -8.614 0.878 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.819 -9.720 0.350 1.00 0.00 O ATOM 421 OD2 ASP A 28 -9.383 -8.496 2.106 1.00 0.00 O ATOM 0 H ASP A 28 -9.199 -5.262 -1.353 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.544 -7.000 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.997 -6.524 0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.373 -7.484 -0.768 1.00 0.00 H new ATOM 426 N ILE A 29 -8.259 -7.838 -2.854 1.00 0.00 N ATOM 427 CA ILE A 29 -8.003 -8.835 -3.888 1.00 0.00 C ATOM 428 C ILE A 29 -6.525 -8.875 -4.216 1.00 0.00 C ATOM 429 O ILE A 29 -5.875 -9.910 -4.110 1.00 0.00 O ATOM 430 CB ILE A 29 -8.856 -8.615 -5.190 1.00 0.00 C ATOM 431 CG1 ILE A 29 -8.596 -7.218 -5.790 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.333 -8.820 -4.888 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.294 -6.877 -7.086 1.00 0.00 C ATOM 0 H ILE A 29 -8.735 -6.997 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.314 -9.797 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.553 -9.351 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.883 -6.474 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.523 -7.114 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.915 -8.665 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.492 -9.835 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.651 -8.107 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.021 -5.867 -7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.992 -7.584 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.373 -6.934 -6.944 1.00 0.00 H new ATOM 445 N PHE A 30 -5.985 -7.715 -4.503 1.00 0.00 N ATOM 446 CA PHE A 30 -4.629 -7.573 -4.931 1.00 0.00 C ATOM 447 C PHE A 30 -3.664 -7.901 -3.837 1.00 0.00 C ATOM 448 O PHE A 30 -2.564 -8.265 -4.081 1.00 0.00 O ATOM 449 CB PHE A 30 -4.429 -6.188 -5.510 1.00 0.00 C ATOM 450 CG PHE A 30 -4.967 -6.014 -6.919 1.00 0.00 C ATOM 451 CD1 PHE A 30 -5.567 -7.065 -7.608 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.859 -4.795 -7.558 1.00 0.00 C ATOM 453 CE1 PHE A 30 -6.043 -6.889 -8.890 1.00 0.00 C ATOM 454 CE2 PHE A 30 -5.334 -4.612 -8.841 1.00 0.00 C ATOM 455 CZ PHE A 30 -5.927 -5.662 -9.507 1.00 0.00 C ATOM 0 H PHE A 30 -6.492 -6.832 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.421 -8.297 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.912 -5.461 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.364 -5.958 -5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.661 -8.030 -7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.393 -3.968 -7.043 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.507 -7.713 -9.411 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.241 -3.649 -9.321 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.300 -5.524 -10.511 1.00 0.00 H new ATOM 465 N LEU A 31 -4.130 -7.883 -2.646 1.00 0.00 N ATOM 466 CA LEU A 31 -3.320 -8.237 -1.575 1.00 0.00 C ATOM 467 C LEU A 31 -3.477 -9.696 -1.234 1.00 0.00 C ATOM 468 O LEU A 31 -2.497 -10.390 -1.184 1.00 0.00 O ATOM 469 CB LEU A 31 -3.495 -7.248 -0.425 1.00 0.00 C ATOM 470 CG LEU A 31 -2.715 -5.918 -0.530 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.212 -6.165 -0.537 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.101 -5.080 -1.742 1.00 0.00 C ATOM 0 H LEU A 31 -5.084 -7.621 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.268 -8.151 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.556 -7.014 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.199 -7.744 0.499 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.992 -5.346 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.687 -5.213 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.922 -6.668 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.950 -6.791 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.514 -4.162 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.904 -5.645 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.161 -4.832 -1.690 1.00 0.00 H new ATOM 484 N GLY A 32 -4.699 -10.191 -1.084 1.00 0.00 N ATOM 485 CA GLY A 32 -4.937 -11.590 -0.755 1.00 0.00 C ATOM 486 C GLY A 32 -4.447 -12.577 -1.819 1.00 0.00 C ATOM 487 O GLY A 32 -3.929 -13.640 -1.473 1.00 0.00 O ATOM 0 H GLY A 32 -5.549 -9.637 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.445 -11.818 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.006 -11.739 -0.602 1.00 0.00 H new ATOM 491 N GLU A 33 -4.600 -12.237 -3.107 1.00 0.00 N ATOM 492 CA GLU A 33 -4.139 -13.113 -4.210 1.00 0.00 C ATOM 493 C GLU A 33 -2.614 -13.020 -4.330 1.00 0.00 C ATOM 494 O GLU A 33 -1.913 -13.982 -4.642 1.00 0.00 O ATOM 495 CB GLU A 33 -4.783 -12.700 -5.534 1.00 0.00 C ATOM 496 CG GLU A 33 -6.300 -12.597 -5.483 1.00 0.00 C ATOM 497 CD GLU A 33 -6.899 -12.230 -6.823 1.00 0.00 C ATOM 498 OE1 GLU A 33 -6.601 -11.144 -7.350 1.00 0.00 O ATOM 499 OE2 GLU A 33 -7.657 -13.038 -7.399 1.00 0.00 O ATOM 0 H GLU A 33 -5.036 -11.368 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.432 -14.139 -3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.374 -11.737 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.504 -13.422 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.715 -13.549 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.586 -11.849 -4.743 1.00 0.00 H new ATOM 506 N MET A 34 -2.144 -11.828 -4.081 1.00 0.00 N ATOM 507 CA MET A 34 -0.692 -11.708 -4.054 1.00 0.00 C ATOM 508 C MET A 34 -0.087 -12.454 -2.882 1.00 0.00 C ATOM 509 O MET A 34 0.923 -13.164 -3.018 1.00 0.00 O ATOM 510 CB MET A 34 -0.292 -10.312 -3.994 1.00 0.00 C ATOM 511 CG MET A 34 -0.507 -9.619 -5.336 1.00 0.00 C ATOM 512 SD MET A 34 0.180 -10.559 -6.716 1.00 0.00 S ATOM 513 CE MET A 34 -0.371 -9.562 -8.102 1.00 0.00 C ATOM 0 H MET A 34 -2.684 -10.981 -3.905 1.00 0.00 H new ATOM 0 HA MET A 34 -0.319 -12.155 -4.976 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.865 -9.800 -3.221 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.758 -10.244 -3.710 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.575 -9.470 -5.498 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.048 -8.631 -5.309 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.485 -10.194 -8.982 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.328 -9.100 -7.860 1.00 0.00 H new ATOM 0 HE3 MET A 34 0.365 -8.785 -8.307 1.00 0.00 H new ATOM 523 N ASP A 35 -0.779 -12.382 -1.767 1.00 0.00 N ATOM 524 CA ASP A 35 -0.478 -13.021 -0.499 1.00 0.00 C ATOM 525 C ASP A 35 -0.474 -14.506 -0.705 1.00 0.00 C ATOM 526 O ASP A 35 0.345 -15.226 -0.120 1.00 0.00 O ATOM 527 CB ASP A 35 -1.622 -12.643 0.473 1.00 0.00 C ATOM 528 CG ASP A 35 -1.571 -13.270 1.868 1.00 0.00 C ATOM 529 OD1 ASP A 35 -1.586 -14.517 1.989 1.00 0.00 O ATOM 530 OD2 ASP A 35 -1.567 -12.543 2.868 1.00 0.00 O ATOM 0 H ASP A 35 -1.636 -11.832 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 35 0.489 -12.707 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.628 -11.559 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.569 -12.920 0.009 1.00 0.00 H new ATOM 535 N SER A 36 -1.350 -14.923 -1.619 1.00 0.00 N ATOM 536 CA SER A 36 -1.599 -16.313 -1.904 1.00 0.00 C ATOM 537 C SER A 36 -0.336 -16.987 -2.247 1.00 0.00 C ATOM 538 O SER A 36 0.073 -18.008 -1.677 1.00 0.00 O ATOM 539 CB SER A 36 -2.473 -16.513 -3.119 1.00 0.00 C ATOM 540 OG SER A 36 -3.748 -15.907 -2.994 1.00 0.00 O ATOM 0 H SER A 36 -1.909 -14.285 -2.185 1.00 0.00 H new ATOM 0 HA SER A 36 -2.080 -16.711 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.967 -16.104 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.601 -17.581 -3.295 1.00 0.00 H new ATOM 0 HG SER A 36 -3.709 -15.200 -2.317 1.00 0.00 H new ATOM 546 N TYR A 37 0.277 -16.345 -3.189 1.00 0.00 N ATOM 547 CA TYR A 37 1.447 -16.805 -3.779 1.00 0.00 C ATOM 548 C TYR A 37 2.532 -16.921 -2.829 1.00 0.00 C ATOM 549 O TYR A 37 3.142 -17.914 -2.755 1.00 0.00 O ATOM 550 CB TYR A 37 1.780 -16.014 -5.008 1.00 0.00 C ATOM 551 CG TYR A 37 0.957 -16.584 -6.075 1.00 0.00 C ATOM 552 CD1 TYR A 37 -0.306 -16.138 -6.365 1.00 0.00 C ATOM 553 CD2 TYR A 37 1.425 -17.686 -6.688 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.081 -16.807 -7.282 1.00 0.00 C ATOM 555 CE2 TYR A 37 0.715 -18.368 -7.602 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.566 -17.936 -7.911 1.00 0.00 C ATOM 557 OH TYR A 37 -1.330 -18.620 -8.838 1.00 0.00 O ATOM 0 H TYR A 37 -0.052 -15.457 -3.567 1.00 0.00 H new ATOM 0 HA TYR A 37 1.277 -17.826 -4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.560 -14.956 -4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.841 -16.089 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.693 -15.259 -5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.414 -18.038 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.078 -16.460 -7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.134 -19.237 -8.087 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.821 -19.383 -9.183 1.00 0.00 H new ATOM 567 N ILE A 38 2.618 -16.000 -1.979 1.00 0.00 N ATOM 568 CA ILE A 38 3.710 -15.941 -1.059 1.00 0.00 C ATOM 569 C ILE A 38 3.587 -16.964 0.068 1.00 0.00 C ATOM 570 O ILE A 38 4.547 -17.269 0.771 1.00 0.00 O ATOM 571 CB ILE A 38 3.963 -14.483 -0.681 1.00 0.00 C ATOM 572 CG1 ILE A 38 4.927 -13.874 -1.714 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.463 -14.278 0.750 1.00 0.00 C ATOM 574 CD1 ILE A 38 4.728 -14.248 -3.196 1.00 0.00 C ATOM 0 H ILE A 38 1.938 -15.246 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 38 4.637 -16.273 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 38 3.004 -13.966 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.863 -12.789 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.941 -14.156 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.616 -13.214 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.724 -14.664 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.405 -14.809 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.480 -13.744 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.829 -15.327 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.734 -13.938 -3.519 1.00 0.00 H new ATOM 586 N GLY A 39 2.418 -17.542 0.209 1.00 0.00 N ATOM 587 CA GLY A 39 2.304 -18.693 1.048 1.00 0.00 C ATOM 588 C GLY A 39 3.116 -19.840 0.425 1.00 0.00 C ATOM 589 O GLY A 39 4.152 -20.268 0.960 1.00 0.00 O ATOM 0 H GLY A 39 1.554 -17.237 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.673 -18.469 2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.258 -18.983 1.151 1.00 0.00 H new ATOM 593 N THR A 40 2.709 -20.219 -0.779 1.00 0.00 N ATOM 594 CA THR A 40 3.315 -21.306 -1.522 1.00 0.00 C ATOM 595 C THR A 40 4.697 -20.918 -2.074 1.00 0.00 C ATOM 596 O THR A 40 5.692 -21.546 -1.751 1.00 0.00 O ATOM 597 CB THR A 40 2.391 -21.718 -2.684 1.00 0.00 C ATOM 598 OG1 THR A 40 1.100 -22.085 -2.172 1.00 0.00 O ATOM 599 CG2 THR A 40 2.978 -22.874 -3.477 1.00 0.00 C ATOM 0 H THR A 40 1.936 -19.770 -1.271 1.00 0.00 H new ATOM 0 HA THR A 40 3.451 -22.143 -0.838 1.00 0.00 H new ATOM 0 HB THR A 40 2.292 -20.865 -3.355 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.515 -22.345 -2.914 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.301 -23.139 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.942 -22.579 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.112 -23.734 -2.821 1.00 0.00 H new ATOM 607 N LEU A 41 4.749 -19.891 -2.904 1.00 0.00 N ATOM 608 CA LEU A 41 5.935 -19.369 -3.558 1.00 0.00 C ATOM 609 C LEU A 41 7.093 -19.033 -2.635 1.00 0.00 C ATOM 610 O LEU A 41 8.205 -19.236 -3.007 1.00 0.00 O ATOM 611 CB LEU A 41 5.543 -18.105 -4.261 1.00 0.00 C ATOM 612 CG LEU A 41 4.976 -18.179 -5.656 1.00 0.00 C ATOM 613 CD1 LEU A 41 6.099 -18.251 -6.681 1.00 0.00 C ATOM 614 CD2 LEU A 41 4.047 -19.372 -5.832 1.00 0.00 C ATOM 0 H LEU A 41 3.911 -19.367 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 41 6.290 -20.160 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.808 -17.597 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.425 -17.465 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 41 4.392 -17.272 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.674 -18.304 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.724 -17.362 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.704 -19.139 -6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.662 -19.386 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.597 -20.293 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.216 -19.293 -5.131 1.00 0.00 H new ATOM 626 N THR A 42 6.840 -18.524 -1.448 1.00 0.00 N ATOM 627 CA THR A 42 7.929 -18.149 -0.526 1.00 0.00 C ATOM 628 C THR A 42 8.481 -19.361 0.140 1.00 0.00 C ATOM 629 O THR A 42 9.670 -19.479 0.442 1.00 0.00 O ATOM 630 CB THR A 42 7.394 -17.137 0.472 1.00 0.00 C ATOM 631 OG1 THR A 42 6.994 -15.982 -0.266 1.00 0.00 O ATOM 632 CG2 THR A 42 8.388 -16.775 1.566 1.00 0.00 C ATOM 0 H THR A 42 5.901 -18.355 -1.086 1.00 0.00 H new ATOM 0 HA THR A 42 8.752 -17.690 -1.074 1.00 0.00 H new ATOM 0 HB THR A 42 6.550 -17.580 1.001 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.310 -16.059 -1.190 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.937 -16.048 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.657 -17.672 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.283 -16.346 1.117 1.00 0.00 H new ATOM 640 N GLU A 43 7.596 -20.264 0.306 1.00 0.00 N ATOM 641 CA GLU A 43 7.932 -21.590 0.766 1.00 0.00 C ATOM 642 C GLU A 43 8.763 -22.310 -0.324 1.00 0.00 C ATOM 643 O GLU A 43 9.534 -23.227 -0.044 1.00 0.00 O ATOM 644 CB GLU A 43 6.647 -22.371 1.053 1.00 0.00 C ATOM 645 CG GLU A 43 6.866 -23.761 1.599 1.00 0.00 C ATOM 646 CD GLU A 43 7.566 -23.747 2.932 1.00 0.00 C ATOM 647 OE1 GLU A 43 6.900 -23.501 3.963 1.00 0.00 O ATOM 648 OE2 GLU A 43 8.789 -24.001 2.977 1.00 0.00 O ATOM 0 H GLU A 43 6.601 -20.122 0.130 1.00 0.00 H new ATOM 0 HA GLU A 43 8.519 -21.528 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.045 -21.806 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.068 -22.443 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.905 -24.265 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.455 -24.340 0.888 1.00 0.00 H new ATOM 655 N LEU A 44 8.644 -21.850 -1.559 1.00 0.00 N ATOM 656 CA LEU A 44 9.229 -22.469 -2.713 1.00 0.00 C ATOM 657 C LEU A 44 10.492 -21.728 -3.198 1.00 0.00 C ATOM 658 O LEU A 44 11.402 -22.346 -3.751 1.00 0.00 O ATOM 659 CB LEU A 44 8.151 -22.389 -3.800 1.00 0.00 C ATOM 660 CG LEU A 44 7.698 -23.676 -4.472 1.00 0.00 C ATOM 661 CD1 LEU A 44 8.814 -24.311 -5.273 1.00 0.00 C ATOM 662 CD2 LEU A 44 7.127 -24.657 -3.461 1.00 0.00 C ATOM 0 H LEU A 44 8.117 -21.006 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 44 9.538 -23.488 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.272 -21.918 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.515 -21.719 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 44 6.902 -23.412 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.452 -25.228 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.146 -23.619 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.649 -24.544 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.813 -25.566 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.889 -24.902 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.269 -24.207 -2.962 1.00 0.00 H new ATOM 674 N GLN A 45 10.532 -20.420 -2.974 1.00 0.00 N ATOM 675 CA GLN A 45 11.539 -19.545 -3.564 1.00 0.00 C ATOM 676 C GLN A 45 11.405 -18.140 -3.019 1.00 0.00 C ATOM 677 O GLN A 45 10.495 -17.842 -2.256 1.00 0.00 O ATOM 678 CB GLN A 45 11.334 -19.543 -5.082 1.00 0.00 C ATOM 679 CG GLN A 45 10.086 -18.832 -5.552 1.00 0.00 C ATOM 680 CD GLN A 45 9.854 -18.986 -7.032 1.00 0.00 C ATOM 681 OE1 GLN A 45 9.188 -19.918 -7.474 1.00 0.00 O ATOM 682 NE2 GLN A 45 10.401 -18.084 -7.810 1.00 0.00 N ATOM 0 H GLN A 45 9.864 -19.934 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 45 12.537 -19.906 -3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.200 -19.076 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.301 -20.575 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.224 -19.222 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.162 -17.772 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.948 -17.324 -7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.280 -18.142 -8.821 1.00 0.00 H new ATOM 691 N GLY A 46 12.261 -17.262 -3.505 1.00 0.00 N ATOM 692 CA GLY A 46 12.307 -15.871 -3.080 1.00 0.00 C ATOM 693 C GLY A 46 11.301 -15.033 -3.798 1.00 0.00 C ATOM 694 O GLY A 46 11.529 -13.881 -4.040 1.00 0.00 O ATOM 0 H GLY A 46 12.954 -17.495 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.127 -15.814 -2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.305 -15.471 -3.257 1.00 0.00 H new ATOM 698 N SER A 47 10.262 -15.706 -4.217 1.00 0.00 N ATOM 699 CA SER A 47 9.089 -15.192 -4.841 1.00 0.00 C ATOM 700 C SER A 47 8.698 -13.818 -4.327 1.00 0.00 C ATOM 701 O SER A 47 8.168 -13.044 -5.060 1.00 0.00 O ATOM 702 CB SER A 47 8.044 -16.158 -4.490 1.00 0.00 C ATOM 703 OG SER A 47 8.007 -16.321 -3.074 1.00 0.00 O ATOM 0 H SER A 47 10.220 -16.720 -4.117 1.00 0.00 H new ATOM 0 HA SER A 47 9.244 -15.071 -5.913 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.076 -15.812 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.241 -17.115 -4.972 1.00 0.00 H new ATOM 0 HG SER A 47 8.802 -16.813 -2.780 1.00 0.00 H new ATOM 709 N GLU A 48 8.703 -13.669 -3.026 1.00 0.00 N ATOM 710 CA GLU A 48 8.606 -12.363 -2.336 1.00 0.00 C ATOM 711 C GLU A 48 9.198 -11.200 -3.227 1.00 0.00 C ATOM 712 O GLU A 48 8.678 -10.092 -3.255 1.00 0.00 O ATOM 713 CB GLU A 48 9.484 -12.499 -1.109 1.00 0.00 C ATOM 714 CG GLU A 48 9.142 -13.696 -0.236 1.00 0.00 C ATOM 715 CD GLU A 48 10.364 -14.208 0.485 1.00 0.00 C ATOM 716 OE1 GLU A 48 10.730 -13.677 1.553 1.00 0.00 O ATOM 717 OE2 GLU A 48 10.992 -15.159 -0.019 1.00 0.00 O ATOM 0 H GLU A 48 8.775 -14.458 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 48 7.567 -12.122 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.524 -12.578 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.401 -11.591 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.379 -13.415 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.719 -14.490 -0.851 1.00 0.00 H new ATOM 724 N GLN A 49 10.293 -11.511 -3.925 1.00 0.00 N ATOM 725 CA GLN A 49 10.919 -10.629 -4.929 1.00 0.00 C ATOM 726 C GLN A 49 9.841 -10.099 -5.904 1.00 0.00 C ATOM 727 O GLN A 49 9.694 -8.895 -6.141 1.00 0.00 O ATOM 728 CB GLN A 49 11.917 -11.452 -5.737 1.00 0.00 C ATOM 729 CG GLN A 49 12.791 -10.614 -6.648 1.00 0.00 C ATOM 730 CD GLN A 49 13.332 -11.371 -7.837 1.00 0.00 C ATOM 731 OE1 GLN A 49 12.506 -12.196 -8.434 1.00 0.00 O flip ATOM 732 NE2 GLN A 49 14.451 -11.117 -8.288 1.00 0.00 N flip ATOM 0 H GLN A 49 10.783 -12.398 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 49 11.409 -9.795 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.552 -12.013 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.373 -12.181 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.215 -9.760 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.626 -10.217 -6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.065 -10.469 -7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.763 -11.554 -9.155 1.00 0.00 H new ATOM 741 N LEU A 50 9.105 -11.050 -6.447 1.00 0.00 N ATOM 742 CA LEU A 50 7.967 -10.845 -7.294 1.00 0.00 C ATOM 743 C LEU A 50 6.945 -10.086 -6.504 1.00 0.00 C ATOM 744 O LEU A 50 6.428 -9.083 -6.973 1.00 0.00 O ATOM 745 CB LEU A 50 7.358 -12.196 -7.680 1.00 0.00 C ATOM 746 CG LEU A 50 6.258 -12.186 -8.736 1.00 0.00 C ATOM 747 CD1 LEU A 50 6.821 -11.894 -10.118 1.00 0.00 C ATOM 748 CD2 LEU A 50 5.476 -13.487 -8.708 1.00 0.00 C ATOM 0 H LEU A 50 9.305 -12.039 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 50 8.264 -10.306 -8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.162 -12.840 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.956 -12.656 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 50 5.565 -11.379 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.012 -11.894 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.306 -10.918 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.549 -12.660 -10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.696 -13.459 -9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.149 -14.321 -8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.020 -13.617 -7.726 1.00 0.00 H new ATOM 760 N LEU A 51 6.733 -10.525 -5.251 1.00 0.00 N ATOM 761 CA LEU A 51 5.701 -9.989 -4.371 1.00 0.00 C ATOM 762 C LEU A 51 5.808 -8.481 -4.208 1.00 0.00 C ATOM 763 O LEU A 51 4.834 -7.809 -4.104 1.00 0.00 O ATOM 764 CB LEU A 51 5.733 -10.640 -3.002 1.00 0.00 C ATOM 765 CG LEU A 51 4.532 -10.355 -2.109 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.314 -11.138 -2.561 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.854 -10.563 -0.650 1.00 0.00 C ATOM 0 H LEU A 51 7.284 -11.270 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 51 4.752 -10.220 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.817 -11.719 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.634 -10.311 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 51 4.282 -9.299 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.473 -10.914 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.061 -10.858 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.532 -12.205 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.971 -10.349 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.161 -11.596 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.663 -9.894 -0.357 1.00 0.00 H new ATOM 779 N TYR A 52 6.972 -7.975 -4.346 1.00 0.00 N ATOM 780 CA TYR A 52 7.270 -6.579 -4.215 1.00 0.00 C ATOM 781 C TYR A 52 6.875 -5.870 -5.492 1.00 0.00 C ATOM 782 O TYR A 52 5.931 -5.076 -5.525 1.00 0.00 O ATOM 783 CB TYR A 52 8.756 -6.581 -4.095 1.00 0.00 C ATOM 784 CG TYR A 52 9.516 -5.264 -4.081 1.00 0.00 C ATOM 785 CD1 TYR A 52 9.495 -4.374 -3.004 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.366 -4.987 -5.135 1.00 0.00 C ATOM 787 CE1 TYR A 52 10.311 -3.255 -2.997 1.00 0.00 C ATOM 788 CE2 TYR A 52 11.162 -3.862 -5.148 1.00 0.00 C ATOM 789 CZ TYR A 52 11.141 -3.003 -4.072 1.00 0.00 C ATOM 790 OH TYR A 52 11.974 -1.903 -4.058 1.00 0.00 O ATOM 0 H TYR A 52 7.793 -8.540 -4.564 1.00 0.00 H new ATOM 0 HA TYR A 52 6.759 -6.088 -3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.007 -7.111 -3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.148 -7.174 -4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.836 -4.561 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.408 -5.670 -5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.298 -2.581 -2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.798 -3.656 -5.996 1.00 0.00 H new ATOM 0 HH TYR A 52 12.491 -1.874 -4.890 1.00 0.00 H new ATOM 800 N LEU A 53 7.511 -6.340 -6.550 1.00 0.00 N ATOM 801 CA LEU A 53 7.377 -5.623 -7.806 1.00 0.00 C ATOM 802 C LEU A 53 5.935 -5.600 -8.297 1.00 0.00 C ATOM 803 O LEU A 53 5.417 -4.566 -8.731 1.00 0.00 O ATOM 804 CB LEU A 53 8.406 -6.112 -8.841 1.00 0.00 C ATOM 805 CG LEU A 53 8.411 -7.605 -9.194 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.393 -7.937 -10.269 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.802 -8.056 -9.594 1.00 0.00 C ATOM 0 H LEU A 53 8.098 -7.174 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 53 7.622 -4.575 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.248 -5.551 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.399 -5.851 -8.475 1.00 0.00 H new ATOM 0 HG LEU A 53 8.118 -8.155 -8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.430 -9.004 -10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.395 -7.673 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.621 -7.373 -11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.783 -9.118 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.133 -7.488 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.491 -7.888 -8.766 1.00 0.00 H new ATOM 819 N LYS A 54 5.276 -6.723 -8.166 1.00 0.00 N ATOM 820 CA LYS A 54 3.910 -6.787 -8.624 1.00 0.00 C ATOM 821 C LYS A 54 2.819 -6.347 -7.674 1.00 0.00 C ATOM 822 O LYS A 54 1.678 -6.617 -7.942 1.00 0.00 O ATOM 823 CB LYS A 54 3.539 -8.073 -9.352 1.00 0.00 C ATOM 824 CG LYS A 54 4.175 -9.345 -8.796 1.00 0.00 C ATOM 825 CD LYS A 54 3.433 -9.994 -7.609 1.00 0.00 C ATOM 826 CE LYS A 54 3.301 -9.082 -6.404 1.00 0.00 C ATOM 827 NZ LYS A 54 2.634 -9.708 -5.256 1.00 0.00 N ATOM 0 H LYS A 54 5.647 -7.582 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 54 3.938 -5.985 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.455 -8.187 -9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.823 -7.973 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.247 -10.076 -9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.193 -9.115 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.438 -10.298 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.961 -10.900 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.294 -8.752 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.744 -8.191 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.685 -9.071 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.638 -9.891 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.106 -10.606 -5.027 1.00 0.00 H new ATOM 841 N GLU A 55 3.128 -5.824 -6.527 1.00 0.00 N ATOM 842 CA GLU A 55 2.006 -5.256 -5.802 1.00 0.00 C ATOM 843 C GLU A 55 2.218 -3.847 -5.445 1.00 0.00 C ATOM 844 O GLU A 55 1.280 -3.118 -5.239 1.00 0.00 O ATOM 845 CB GLU A 55 1.601 -6.063 -4.605 1.00 0.00 C ATOM 846 CG GLU A 55 2.598 -6.065 -3.490 1.00 0.00 C ATOM 847 CD GLU A 55 2.259 -7.181 -2.549 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.166 -8.341 -3.049 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.064 -6.929 -1.356 1.00 0.00 O ATOM 0 H GLU A 55 4.050 -5.772 -6.094 1.00 0.00 H new ATOM 0 HA GLU A 55 1.171 -5.294 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.654 -5.678 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.425 -7.092 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.606 -6.195 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.581 -5.110 -2.966 1.00 0.00 H new ATOM 856 N ILE A 56 3.427 -3.436 -5.378 1.00 0.00 N ATOM 857 CA ILE A 56 3.645 -2.069 -5.048 1.00 0.00 C ATOM 858 C ILE A 56 3.426 -1.209 -6.277 1.00 0.00 C ATOM 859 O ILE A 56 2.915 -0.101 -6.189 1.00 0.00 O ATOM 860 CB ILE A 56 5.014 -1.830 -4.414 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.108 -2.075 -5.446 1.00 0.00 C ATOM 862 CG2 ILE A 56 5.181 -2.740 -3.198 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.454 -2.300 -4.845 1.00 0.00 C ATOM 0 H ILE A 56 4.261 -4.000 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 56 2.919 -1.782 -4.287 1.00 0.00 H new ATOM 0 HB ILE A 56 5.092 -0.796 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.839 -2.942 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.158 -1.220 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.158 -2.568 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.401 -2.520 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.103 -3.782 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.183 -2.468 -5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.744 -1.424 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.420 -3.173 -4.193 1.00 0.00 H new ATOM 875 N SER A 57 3.727 -1.774 -7.430 1.00 0.00 N ATOM 876 CA SER A 57 3.550 -1.065 -8.669 1.00 0.00 C ATOM 877 C SER A 57 2.182 -1.421 -9.206 1.00 0.00 C ATOM 878 O SER A 57 1.493 -0.624 -9.814 1.00 0.00 O ATOM 879 CB SER A 57 4.655 -1.468 -9.643 1.00 0.00 C ATOM 880 OG SER A 57 5.924 -1.238 -9.052 1.00 0.00 O ATOM 0 H SER A 57 4.094 -2.721 -7.528 1.00 0.00 H new ATOM 0 HA SER A 57 3.613 0.014 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.553 -2.520 -9.908 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.565 -0.896 -10.567 1.00 0.00 H new ATOM 0 HG SER A 57 6.630 -1.500 -9.680 1.00 0.00 H new ATOM 886 N HIS A 58 1.811 -2.640 -8.952 1.00 0.00 N ATOM 887 CA HIS A 58 0.538 -3.113 -9.363 1.00 0.00 C ATOM 888 C HIS A 58 -0.552 -2.664 -8.410 1.00 0.00 C ATOM 889 O HIS A 58 -1.248 -1.719 -8.732 1.00 0.00 O ATOM 890 CB HIS A 58 0.587 -4.608 -9.646 1.00 0.00 C ATOM 891 CG HIS A 58 -0.716 -5.331 -9.751 1.00 0.00 C ATOM 892 ND1 HIS A 58 -1.178 -6.054 -8.686 1.00 0.00 N ATOM 893 CD2 HIS A 58 -1.556 -5.485 -10.797 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.271 -6.639 -9.094 1.00 0.00 C ATOM 895 NE2 HIS A 58 -2.551 -6.328 -10.370 1.00 0.00 N ATOM 0 H HIS A 58 2.383 -3.325 -8.457 1.00 0.00 H new ATOM 0 HA HIS A 58 0.265 -2.655 -10.314 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.131 -4.757 -10.579 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.172 -5.081 -8.857 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.463 -5.035 -11.774 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.875 -7.292 -8.482 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.348 -6.655 -10.916 1.00 0.00 H new ATOM 903 N ALA A 59 -0.679 -3.201 -7.206 1.00 0.00 N ATOM 904 CA ALA A 59 -1.781 -2.971 -6.288 1.00 0.00 C ATOM 905 C ALA A 59 -1.702 -1.609 -5.661 1.00 0.00 C ATOM 906 O ALA A 59 -2.651 -0.845 -5.743 1.00 0.00 O ATOM 907 CB ALA A 59 -1.751 -4.029 -5.198 1.00 0.00 C ATOM 0 H ALA A 59 0.019 -3.840 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.712 -3.030 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.576 -3.862 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.849 -5.017 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.806 -3.968 -4.658 1.00 0.00 H new ATOM 913 N LEU A 60 -0.568 -1.268 -5.076 1.00 0.00 N ATOM 914 CA LEU A 60 -0.380 -0.021 -4.380 1.00 0.00 C ATOM 915 C LEU A 60 -0.444 1.154 -5.242 1.00 0.00 C ATOM 916 O LEU A 60 -1.247 2.011 -5.016 1.00 0.00 O ATOM 917 CB LEU A 60 0.886 0.007 -3.593 1.00 0.00 C ATOM 918 CG LEU A 60 0.676 -0.233 -2.140 1.00 0.00 C ATOM 919 CD1 LEU A 60 0.201 -1.660 -1.859 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.889 0.161 -1.333 1.00 0.00 C ATOM 0 H LEU A 60 0.259 -1.865 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.226 0.031 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.567 -0.748 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.370 0.974 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.134 0.418 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.060 -1.792 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.744 -1.837 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.947 -2.369 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.700 -0.028 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.749 -0.425 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.096 1.221 -1.481 1.00 0.00 H new ATOM 932 N LYS A 61 0.381 1.179 -6.238 1.00 0.00 N ATOM 933 CA LYS A 61 0.370 2.279 -7.159 1.00 0.00 C ATOM 934 C LYS A 61 -1.041 2.434 -7.775 1.00 0.00 C ATOM 935 O LYS A 61 -1.430 3.524 -8.133 1.00 0.00 O ATOM 936 CB LYS A 61 1.528 2.092 -8.168 1.00 0.00 C ATOM 937 CG LYS A 61 1.754 3.149 -9.274 1.00 0.00 C ATOM 938 CD LYS A 61 0.629 3.205 -10.309 1.00 0.00 C ATOM 939 CE LYS A 61 0.150 1.805 -10.638 1.00 0.00 C ATOM 940 NZ LYS A 61 -0.906 1.768 -11.673 1.00 0.00 N ATOM 0 H LYS A 61 1.071 0.455 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 61 0.559 3.232 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.452 2.017 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.380 1.131 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.859 4.130 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.694 2.935 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.200 3.800 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.982 3.699 -11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.999 1.210 -10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.227 1.336 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.685 1.158 -11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.265 2.730 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.512 1.390 -12.558 1.00 0.00 H new ATOM 954 N SER A 62 -1.862 1.378 -7.744 1.00 0.00 N ATOM 955 CA SER A 62 -3.202 1.459 -8.259 1.00 0.00 C ATOM 956 C SER A 62 -4.176 1.991 -7.219 1.00 0.00 C ATOM 957 O SER A 62 -4.913 2.951 -7.459 1.00 0.00 O ATOM 958 CB SER A 62 -3.657 0.115 -8.812 1.00 0.00 C ATOM 959 OG SER A 62 -2.913 -0.218 -9.977 1.00 0.00 O ATOM 0 H SER A 62 -1.607 0.466 -7.365 1.00 0.00 H new ATOM 0 HA SER A 62 -3.193 2.173 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.527 -0.659 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.720 0.153 -9.050 1.00 0.00 H new ATOM 0 HG SER A 62 -2.177 -0.819 -9.735 1.00 0.00 H new ATOM 965 N SER A 63 -4.137 1.417 -6.046 1.00 0.00 N ATOM 966 CA SER A 63 -5.007 1.680 -4.963 1.00 0.00 C ATOM 967 C SER A 63 -4.641 3.004 -4.339 1.00 0.00 C ATOM 968 O SER A 63 -5.488 3.784 -4.018 1.00 0.00 O ATOM 969 CB SER A 63 -4.826 0.543 -3.956 1.00 0.00 C ATOM 970 OG SER A 63 -5.082 -0.701 -4.560 1.00 0.00 O ATOM 0 H SER A 63 -3.442 0.705 -5.821 1.00 0.00 H new ATOM 0 HA SER A 63 -6.046 1.735 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.810 0.559 -3.561 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.499 0.688 -3.111 1.00 0.00 H new ATOM 0 HG SER A 63 -4.305 -0.973 -5.091 1.00 0.00 H new ATOM 976 N ALA A 64 -3.363 3.251 -4.202 1.00 0.00 N ATOM 977 CA ALA A 64 -2.903 4.480 -3.584 1.00 0.00 C ATOM 978 C ALA A 64 -3.221 5.642 -4.498 1.00 0.00 C ATOM 979 O ALA A 64 -3.726 6.630 -4.073 1.00 0.00 O ATOM 980 CB ALA A 64 -1.421 4.442 -3.239 1.00 0.00 C ATOM 0 H ALA A 64 -2.620 2.623 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.429 4.602 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.130 5.387 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.230 3.626 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.840 4.287 -4.148 1.00 0.00 H new ATOM 986 N ALA A 65 -3.081 5.460 -5.778 1.00 0.00 N ATOM 987 CA ALA A 65 -3.347 6.545 -6.726 1.00 0.00 C ATOM 988 C ALA A 65 -4.843 6.857 -6.771 1.00 0.00 C ATOM 989 O ALA A 65 -5.259 7.925 -7.232 1.00 0.00 O ATOM 990 CB ALA A 65 -2.846 6.192 -8.113 1.00 0.00 C ATOM 0 H ALA A 65 -2.787 4.582 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.810 7.430 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.056 7.015 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.771 6.016 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.350 5.291 -8.464 1.00 0.00 H new ATOM 996 N SER A 66 -5.641 5.926 -6.280 1.00 0.00 N ATOM 997 CA SER A 66 -7.064 6.096 -6.219 1.00 0.00 C ATOM 998 C SER A 66 -7.521 6.470 -4.798 1.00 0.00 C ATOM 999 O SER A 66 -8.463 7.222 -4.650 1.00 0.00 O ATOM 1000 CB SER A 66 -7.751 4.806 -6.696 1.00 0.00 C ATOM 1001 OG SER A 66 -9.174 4.923 -6.723 1.00 0.00 O ATOM 0 H SER A 66 -5.311 5.033 -5.914 1.00 0.00 H new ATOM 0 HA SER A 66 -7.350 6.918 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.391 4.554 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.470 3.984 -6.038 1.00 0.00 H new ATOM 0 HG SER A 66 -9.566 4.080 -7.034 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.868 5.935 -3.761 1.00 0.00 N ATOM 1008 CA PHE A 67 -7.326 6.193 -2.375 1.00 0.00 C ATOM 1009 C PHE A 67 -6.188 6.313 -1.319 1.00 0.00 C ATOM 1010 O PHE A 67 -6.295 5.899 -0.168 1.00 0.00 O ATOM 1011 CB PHE A 67 -8.430 5.199 -1.985 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.164 3.738 -2.252 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -8.510 3.176 -3.470 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -7.632 2.919 -1.272 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -8.335 1.828 -3.705 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -7.443 1.571 -1.501 1.00 0.00 C ATOM 1017 CZ PHE A 67 -7.802 1.024 -2.717 1.00 0.00 C ATOM 0 H PHE A 67 -6.045 5.338 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.758 7.194 -2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.631 5.317 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -9.340 5.480 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.923 3.802 -4.247 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.361 3.340 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.614 1.403 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.015 0.946 -0.731 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.666 -0.032 -2.895 1.00 0.00 H new ATOM 1027 N GLY A 68 -5.156 6.968 -1.749 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.974 7.234 -0.917 1.00 0.00 C ATOM 1029 C GLY A 68 -2.931 7.957 -1.749 1.00 0.00 C ATOM 1030 O GLY A 68 -1.725 7.751 -1.647 1.00 0.00 O ATOM 0 H GLY A 68 -5.087 7.346 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.251 7.839 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.566 6.299 -0.534 1.00 0.00 H new ATOM 1034 N ALA A 69 -3.491 8.872 -2.491 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.742 9.558 -3.560 1.00 0.00 C ATOM 1036 C ALA A 69 -1.903 10.737 -3.098 1.00 0.00 C ATOM 1037 O ALA A 69 -1.745 11.735 -3.802 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.662 9.943 -4.706 1.00 0.00 C ATOM 0 H ALA A 69 -4.460 9.174 -2.392 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.015 8.827 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.086 10.447 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.121 9.046 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.440 10.612 -4.339 1.00 0.00 H new ATOM 1044 N ASP A 70 -1.344 10.594 -1.948 1.00 0.00 N ATOM 1045 CA ASP A 70 -0.501 11.596 -1.368 1.00 0.00 C ATOM 1046 C ASP A 70 0.590 10.739 -0.761 1.00 0.00 C ATOM 1047 O ASP A 70 0.705 9.569 -1.161 1.00 0.00 O ATOM 1048 CB ASP A 70 -1.256 12.336 -0.268 1.00 0.00 C ATOM 1049 CG ASP A 70 -0.708 13.715 0.003 1.00 0.00 C ATOM 1050 OD1 ASP A 70 0.526 13.898 0.044 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -1.529 14.645 0.105 1.00 0.00 O ATOM 0 H ASP A 70 -1.458 9.763 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.148 12.355 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.306 12.418 -0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.216 11.749 0.650 1.00 0.00 H new ATOM 1056 N ARG A 71 1.495 11.269 0.022 1.00 0.00 N ATOM 1057 CA ARG A 71 2.360 10.604 0.987 1.00 0.00 C ATOM 1058 C ARG A 71 2.701 9.161 0.710 1.00 0.00 C ATOM 1059 O ARG A 71 3.651 8.899 0.077 1.00 0.00 O ATOM 1060 CB ARG A 71 1.851 10.810 2.408 1.00 0.00 C ATOM 1061 CG ARG A 71 1.401 12.232 2.710 1.00 0.00 C ATOM 1062 CD ARG A 71 2.525 13.217 2.959 1.00 0.00 C ATOM 1063 NE ARG A 71 1.998 14.542 3.322 1.00 0.00 N ATOM 1064 CZ ARG A 71 2.186 15.689 2.653 1.00 0.00 C ATOM 1065 NH1 ARG A 71 2.897 15.720 1.531 1.00 0.00 N ATOM 1066 NH2 ARG A 71 1.648 16.812 3.109 1.00 0.00 N ATOM 0 H ARG A 71 1.668 12.274 0.005 1.00 0.00 H new ATOM 0 HA ARG A 71 3.321 11.104 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.016 10.132 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.640 10.534 3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.800 12.592 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.752 12.214 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.167 12.846 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.144 13.301 2.066 1.00 0.00 H new ATOM 0 HE ARG A 71 1.432 14.593 4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.310 14.862 1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.030 16.602 1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.094 16.801 3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.788 17.687 2.603 1.00 0.00 H new ATOM 1080 N LEU A 72 1.876 8.253 1.114 1.00 0.00 N ATOM 1081 CA LEU A 72 2.239 6.817 1.026 1.00 0.00 C ATOM 1082 C LEU A 72 2.541 6.438 -0.388 1.00 0.00 C ATOM 1083 O LEU A 72 3.402 5.633 -0.655 1.00 0.00 O ATOM 1084 CB LEU A 72 1.096 5.952 1.459 1.00 0.00 C ATOM 1085 CG LEU A 72 0.209 6.562 2.493 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.831 5.547 2.879 1.00 0.00 C ATOM 1087 CD2 LEU A 72 1.022 7.081 3.704 1.00 0.00 C ATOM 0 H LEU A 72 0.954 8.442 1.507 1.00 0.00 H new ATOM 0 HA LEU A 72 3.107 6.670 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.494 5.704 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.494 5.015 1.848 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.293 7.440 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.491 5.972 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.415 5.272 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.342 4.660 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.344 7.519 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.564 6.253 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.731 7.838 3.369 1.00 0.00 H new ATOM 1099 N CYS A 73 1.881 7.155 -1.245 1.00 0.00 N ATOM 1100 CA CYS A 73 2.000 6.799 -2.619 1.00 0.00 C ATOM 1101 C CYS A 73 3.435 7.060 -3.079 1.00 0.00 C ATOM 1102 O CYS A 73 4.136 6.153 -3.529 1.00 0.00 O ATOM 1103 CB CYS A 73 0.960 7.494 -3.499 1.00 0.00 C ATOM 1104 SG CYS A 73 0.953 6.942 -5.223 1.00 0.00 S ATOM 0 H CYS A 73 1.282 7.953 -1.031 1.00 0.00 H new ATOM 0 HA CYS A 73 1.788 5.735 -2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.029 7.327 -3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.141 8.569 -3.475 1.00 0.00 H new ATOM 0 HG CYS A 73 0.038 7.588 -5.882 1.00 0.00 H new ATOM 1110 N GLU A 74 3.939 8.233 -2.788 1.00 0.00 N ATOM 1111 CA GLU A 74 5.266 8.629 -3.316 1.00 0.00 C ATOM 1112 C GLU A 74 6.323 8.715 -2.228 1.00 0.00 C ATOM 1113 O GLU A 74 7.449 8.215 -2.360 1.00 0.00 O ATOM 1114 CB GLU A 74 5.093 9.983 -4.005 1.00 0.00 C ATOM 1115 CG GLU A 74 6.361 10.659 -4.457 1.00 0.00 C ATOM 1116 CD GLU A 74 6.901 10.083 -5.745 1.00 0.00 C ATOM 1117 OE1 GLU A 74 7.263 8.898 -5.786 1.00 0.00 O ATOM 1118 OE2 GLU A 74 6.961 10.822 -6.748 1.00 0.00 O ATOM 0 H GLU A 74 3.481 8.932 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 74 5.618 7.870 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.448 9.847 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.571 10.653 -3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.172 11.724 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.116 10.565 -3.677 1.00 0.00 H new ATOM 1125 N ARG A 75 5.893 9.242 -1.144 1.00 0.00 N ATOM 1126 CA ARG A 75 6.715 9.550 -0.013 1.00 0.00 C ATOM 1127 C ARG A 75 7.084 8.230 0.640 1.00 0.00 C ATOM 1128 O ARG A 75 8.194 8.049 1.137 1.00 0.00 O ATOM 1129 CB ARG A 75 5.857 10.444 0.909 1.00 0.00 C ATOM 1130 CG ARG A 75 6.286 10.635 2.344 1.00 0.00 C ATOM 1131 CD ARG A 75 7.723 10.964 2.381 1.00 0.00 C ATOM 1132 NE ARG A 75 8.136 11.579 3.639 1.00 0.00 N ATOM 1133 CZ ARG A 75 8.908 12.670 3.725 1.00 0.00 C ATOM 1134 NH1 ARG A 75 9.445 13.195 2.628 1.00 0.00 N ATOM 1135 NH2 ARG A 75 9.156 13.214 4.909 1.00 0.00 N ATOM 0 H ARG A 75 4.913 9.486 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 75 7.637 10.076 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.797 11.430 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.847 10.034 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.706 11.434 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.093 9.728 2.917 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.302 10.055 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.956 11.640 1.559 1.00 0.00 H new ATOM 0 HE ARG A 75 7.816 11.151 4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.269 12.767 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.033 14.026 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.759 12.801 5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.744 14.045 4.975 1.00 0.00 H new ATOM 1149 N ALA A 76 6.199 7.259 0.525 1.00 0.00 N ATOM 1150 CA ALA A 76 6.489 6.014 1.127 1.00 0.00 C ATOM 1151 C ALA A 76 7.183 5.210 0.091 1.00 0.00 C ATOM 1152 O ALA A 76 8.188 4.690 0.353 1.00 0.00 O ATOM 1153 CB ALA A 76 5.255 5.320 1.666 1.00 0.00 C ATOM 0 H ALA A 76 5.307 7.322 0.033 1.00 0.00 H new ATOM 0 HA ALA A 76 7.120 6.150 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.540 4.369 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.782 5.951 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.554 5.140 0.851 1.00 0.00 H new ATOM 1159 N ILE A 77 6.626 5.183 -1.110 1.00 0.00 N ATOM 1160 CA ILE A 77 7.395 4.404 -2.130 1.00 0.00 C ATOM 1161 C ILE A 77 8.961 4.649 -2.219 1.00 0.00 C ATOM 1162 O ILE A 77 9.758 3.699 -2.403 1.00 0.00 O ATOM 1163 CB ILE A 77 6.642 4.070 -3.454 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.569 2.990 -3.185 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.587 3.492 -4.518 1.00 0.00 C ATOM 1166 CD1 ILE A 77 4.659 3.246 -2.012 1.00 0.00 C ATOM 0 H ILE A 77 5.754 5.624 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 77 7.417 3.423 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 77 6.204 5.002 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.956 2.884 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.072 2.036 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.023 3.273 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.369 4.218 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.041 2.575 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.947 2.426 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.252 3.319 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.118 4.179 -2.168 1.00 0.00 H new ATOM 1178 N ALA A 78 9.375 5.826 -1.720 1.00 0.00 N ATOM 1179 CA ALA A 78 10.769 6.235 -1.743 1.00 0.00 C ATOM 1180 C ALA A 78 11.513 5.677 -0.494 1.00 0.00 C ATOM 1181 O ALA A 78 12.572 5.058 -0.614 1.00 0.00 O ATOM 1182 CB ALA A 78 10.871 7.757 -1.762 1.00 0.00 C ATOM 0 H ALA A 78 8.749 6.509 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 78 11.233 5.835 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.920 8.051 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.371 8.144 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.394 8.165 -0.871 1.00 0.00 H new ATOM 1188 N ILE A 79 10.898 5.838 0.695 1.00 0.00 N ATOM 1189 CA ILE A 79 11.557 5.514 2.010 1.00 0.00 C ATOM 1190 C ILE A 79 11.171 4.078 2.410 1.00 0.00 C ATOM 1191 O ILE A 79 11.807 3.385 3.216 1.00 0.00 O ATOM 1192 CB ILE A 79 10.914 6.416 3.072 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.858 7.858 2.568 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.645 6.313 4.414 1.00 0.00 C ATOM 1195 CD1 ILE A 79 10.393 8.869 3.599 1.00 0.00 C ATOM 0 H ILE A 79 9.945 6.190 0.789 1.00 0.00 H new ATOM 0 HA ILE A 79 12.637 5.640 1.933 1.00 0.00 H new ATOM 0 HB ILE A 79 9.894 6.074 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 79 11.849 8.145 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.190 7.903 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.162 6.965 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.610 5.283 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.684 6.617 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.384 9.864 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 79 9.388 8.612 3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.072 8.858 4.451 1.00 0.00 H new ATOM 1207 N ASP A 80 10.020 3.844 1.900 1.00 0.00 N ATOM 1208 CA ASP A 80 9.514 2.533 2.148 1.00 0.00 C ATOM 1209 C ASP A 80 10.464 1.469 1.656 1.00 0.00 C ATOM 1210 O ASP A 80 10.916 0.657 2.447 1.00 0.00 O ATOM 1211 CB ASP A 80 8.032 2.276 1.912 1.00 0.00 C ATOM 1212 CG ASP A 80 7.237 2.786 3.101 1.00 0.00 C ATOM 1213 OD1 ASP A 80 7.389 3.961 3.475 1.00 0.00 O ATOM 1214 OD2 ASP A 80 6.535 1.996 3.746 1.00 0.00 O ATOM 0 H ASP A 80 9.443 4.480 1.350 1.00 0.00 H new ATOM 0 HA ASP A 80 9.496 2.459 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.705 2.776 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.854 1.210 1.772 1.00 0.00 H new ATOM 1219 N LYS A 81 10.906 1.548 0.410 1.00 0.00 N ATOM 1220 CA LYS A 81 11.945 0.594 0.010 1.00 0.00 C ATOM 1221 C LYS A 81 13.201 0.798 0.858 1.00 0.00 C ATOM 1222 O LYS A 81 13.700 -0.091 1.518 1.00 0.00 O ATOM 1223 CB LYS A 81 12.193 0.652 -1.510 1.00 0.00 C ATOM 1224 CG LYS A 81 12.602 2.033 -2.042 1.00 0.00 C ATOM 1225 CD LYS A 81 12.484 2.110 -3.552 1.00 0.00 C ATOM 1226 CE LYS A 81 12.822 3.502 -4.064 1.00 0.00 C ATOM 1227 NZ LYS A 81 14.239 3.866 -3.829 1.00 0.00 N ATOM 0 H LYS A 81 10.594 2.209 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 81 11.606 -0.423 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.973 -0.066 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.286 0.334 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.973 2.799 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.629 2.248 -1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.153 1.380 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.470 1.846 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.609 3.554 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.177 4.232 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.452 4.761 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.404 3.976 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.856 3.116 -4.201 1.00 0.00 H new ATOM 1241 N LYS A 82 13.656 1.974 0.789 1.00 0.00 N ATOM 1242 CA LYS A 82 14.782 2.453 1.514 1.00 0.00 C ATOM 1243 C LYS A 82 15.043 2.056 3.024 1.00 0.00 C ATOM 1244 O LYS A 82 16.086 1.442 3.329 1.00 0.00 O ATOM 1245 CB LYS A 82 14.968 3.900 1.137 1.00 0.00 C ATOM 1246 CG LYS A 82 15.903 4.598 1.988 1.00 0.00 C ATOM 1247 CD LYS A 82 15.148 5.321 3.049 1.00 0.00 C ATOM 1248 CE LYS A 82 16.095 5.868 4.059 1.00 0.00 C ATOM 1249 NZ LYS A 82 17.090 6.800 3.460 1.00 0.00 N ATOM 0 H LYS A 82 13.237 2.686 0.191 1.00 0.00 H new ATOM 0 HA LYS A 82 15.619 1.833 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.314 3.957 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.003 4.406 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.602 3.892 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.494 5.301 1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.566 6.130 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.440 4.645 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.534 6.390 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.619 5.045 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.579 7.319 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.785 6.258 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.602 7.475 2.837 1.00 0.00 H new ATOM 1263 N ALA A 83 14.134 2.201 3.957 1.00 0.00 N ATOM 1264 CA ALA A 83 14.438 2.021 5.351 1.00 0.00 C ATOM 1265 C ALA A 83 13.287 1.365 5.972 1.00 0.00 C ATOM 1266 O ALA A 83 13.403 0.852 7.040 1.00 0.00 O ATOM 1267 CB ALA A 83 14.739 3.311 6.092 1.00 0.00 C ATOM 0 H ALA A 83 13.162 2.447 3.769 1.00 0.00 H new ATOM 0 HA ALA A 83 15.347 1.423 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.958 3.088 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.601 3.799 5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.875 3.973 6.036 1.00 0.00 H new ATOM 1273 N LYS A 84 12.119 1.466 5.354 1.00 0.00 N ATOM 1274 CA LYS A 84 11.078 0.585 5.758 1.00 0.00 C ATOM 1275 C LYS A 84 11.559 -0.842 5.556 1.00 0.00 C ATOM 1276 O LYS A 84 11.136 -1.740 6.269 1.00 0.00 O ATOM 1277 CB LYS A 84 9.842 0.905 4.970 1.00 0.00 C ATOM 1278 CG LYS A 84 8.968 -0.262 4.580 1.00 0.00 C ATOM 1279 CD LYS A 84 8.154 -0.798 5.737 1.00 0.00 C ATOM 1280 CE LYS A 84 6.865 -0.004 5.951 1.00 0.00 C ATOM 1281 NZ LYS A 84 7.038 1.427 6.300 1.00 0.00 N ATOM 0 H LYS A 84 11.891 2.122 4.607 1.00 0.00 H new ATOM 0 HA LYS A 84 10.827 0.704 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.239 1.603 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.143 1.424 4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.295 0.046 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.593 -1.061 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.908 -1.844 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.754 -0.767 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.267 -0.067 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.292 -0.485 6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.210 1.756 6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.894 1.542 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.132 1.988 5.429 1.00 0.00 H new ATOM 1295 N ALA A 85 12.527 -1.082 4.679 1.00 0.00 N ATOM 1296 CA ALA A 85 13.064 -2.382 4.555 1.00 0.00 C ATOM 1297 C ALA A 85 14.264 -2.511 5.439 1.00 0.00 C ATOM 1298 O ALA A 85 14.523 -3.570 5.969 1.00 0.00 O ATOM 1299 CB ALA A 85 13.540 -2.574 3.142 1.00 0.00 C ATOM 0 H ALA A 85 12.936 -0.383 4.059 1.00 0.00 H new ATOM 0 HA ALA A 85 12.301 -3.112 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.958 -3.575 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.702 -2.453 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.306 -1.834 2.912 1.00 0.00 H new ATOM 1305 N ASN A 86 15.075 -1.476 5.562 1.00 0.00 N ATOM 1306 CA ASN A 86 16.129 -1.564 6.573 1.00 0.00 C ATOM 1307 C ASN A 86 15.592 -1.633 8.032 1.00 0.00 C ATOM 1308 O ASN A 86 16.293 -2.048 8.922 1.00 0.00 O ATOM 1309 CB ASN A 86 17.178 -0.488 6.387 1.00 0.00 C ATOM 1310 CG ASN A 86 18.470 -0.772 7.137 1.00 0.00 C ATOM 1311 OD1 ASN A 86 18.831 -2.045 7.259 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 19.161 0.151 7.564 1.00 0.00 N flip ATOM 0 H ASN A 86 15.039 -0.614 5.017 1.00 0.00 H new ATOM 0 HA ASN A 86 16.621 -2.523 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.398 -0.384 5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.773 0.467 6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 86 18.850 1.116 7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 86 20.046 -0.048 8.031 1.00 0.00 H new ATOM 1319 N GLN A 87 14.366 -1.226 8.284 1.00 0.00 N ATOM 1320 CA GLN A 87 13.748 -1.397 9.605 1.00 0.00 C ATOM 1321 C GLN A 87 13.264 -2.859 9.694 1.00 0.00 C ATOM 1322 O GLN A 87 13.082 -3.443 10.756 1.00 0.00 O ATOM 1323 CB GLN A 87 12.591 -0.350 9.759 1.00 0.00 C ATOM 1324 CG GLN A 87 11.251 -0.621 9.055 1.00 0.00 C ATOM 1325 CD GLN A 87 10.157 -1.331 9.859 1.00 0.00 C ATOM 1326 OE1 GLN A 87 10.499 -2.207 10.774 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 8.973 -1.083 9.629 1.00 0.00 N flip ATOM 0 H GLN A 87 13.766 -0.771 7.596 1.00 0.00 H new ATOM 0 HA GLN A 87 14.443 -1.217 10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.388 -0.236 10.824 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.964 0.610 9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.851 0.334 8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.454 -1.217 8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.725 -0.399 8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.241 -1.561 10.153 1.00 0.00 H new ATOM 1336 N LEU A 88 13.087 -3.375 8.509 1.00 0.00 N ATOM 1337 CA LEU A 88 12.646 -4.761 8.326 1.00 0.00 C ATOM 1338 C LEU A 88 13.740 -5.812 8.469 1.00 0.00 C ATOM 1339 O LEU A 88 13.433 -6.998 8.384 1.00 0.00 O ATOM 1340 CB LEU A 88 12.018 -4.903 6.949 1.00 0.00 C ATOM 1341 CG LEU A 88 10.542 -5.231 6.865 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.269 -6.620 7.422 1.00 0.00 C ATOM 1343 CD2 LEU A 88 9.690 -4.195 7.588 1.00 0.00 C ATOM 0 H LEU A 88 13.239 -2.865 7.639 1.00 0.00 H new ATOM 0 HA LEU A 88 11.936 -4.951 9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.183 -3.970 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.563 -5.681 6.413 1.00 0.00 H new ATOM 0 HG LEU A 88 10.264 -5.211 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.203 -6.837 7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.828 -7.359 6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.580 -6.661 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.638 -4.467 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.973 -4.161 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.849 -3.215 7.138 1.00 0.00 H new ATOM 1355 N GLN A 89 14.984 -5.430 8.757 1.00 0.00 N ATOM 1356 CA GLN A 89 16.132 -6.342 8.734 1.00 0.00 C ATOM 1357 C GLN A 89 17.418 -5.574 8.932 1.00 0.00 C ATOM 1358 O GLN A 89 17.401 -4.402 9.226 1.00 0.00 O ATOM 1359 CB GLN A 89 16.208 -7.058 7.373 1.00 0.00 C ATOM 1360 CG GLN A 89 16.042 -6.151 6.179 1.00 0.00 C ATOM 1361 CD GLN A 89 16.148 -6.888 4.882 1.00 0.00 C ATOM 1362 OE1 GLN A 89 17.329 -6.916 4.343 1.00 0.00 O flip ATOM 1363 NE2 GLN A 89 15.179 -7.400 4.350 1.00 0.00 N flip ATOM 0 H GLN A 89 15.227 -4.474 9.015 1.00 0.00 H new ATOM 0 HA GLN A 89 16.004 -7.067 9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.170 -7.566 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.437 -7.828 7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.072 -5.657 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.801 -5.369 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.266 -7.358 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.280 -7.871 3.451 1.00 0.00 H new ATOM 1372 N GLU A 90 18.532 -6.233 8.723 1.00 0.00 N ATOM 1373 CA GLU A 90 19.817 -5.574 8.805 1.00 0.00 C ATOM 1374 C GLU A 90 20.310 -5.152 7.419 1.00 0.00 C ATOM 1375 O GLU A 90 20.881 -4.086 7.253 1.00 0.00 O ATOM 1376 CB GLU A 90 20.851 -6.462 9.501 1.00 0.00 C ATOM 1377 CG GLU A 90 20.972 -7.858 8.914 1.00 0.00 C ATOM 1378 CD GLU A 90 22.137 -8.621 9.480 1.00 0.00 C ATOM 1379 OE1 GLU A 90 22.021 -9.190 10.581 1.00 0.00 O ATOM 1380 OE2 GLU A 90 23.195 -8.653 8.832 1.00 0.00 O ATOM 0 H GLU A 90 18.577 -7.226 8.495 1.00 0.00 H new ATOM 0 HA GLU A 90 19.687 -4.674 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 90 21.824 -5.974 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.590 -6.545 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 90 20.052 -8.410 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 90 21.080 -7.786 7.832 1.00 0.00 H new ATOM 1387 N GLN A 91 20.019 -5.949 6.403 1.00 0.00 N ATOM 1388 CA GLN A 91 20.538 -5.754 5.045 1.00 0.00 C ATOM 1389 C GLN A 91 19.717 -4.797 4.168 1.00 0.00 C ATOM 1390 O GLN A 91 19.709 -4.988 2.971 1.00 0.00 O ATOM 1391 CB GLN A 91 20.543 -7.117 4.337 1.00 0.00 C ATOM 1392 CG GLN A 91 21.423 -8.182 4.958 1.00 0.00 C ATOM 1393 CD GLN A 91 22.899 -7.822 4.911 1.00 0.00 C ATOM 1394 OE1 GLN A 91 23.345 -7.131 4.001 1.00 0.00 O ATOM 1395 NE2 GLN A 91 23.665 -8.266 5.889 1.00 0.00 N ATOM 0 H GLN A 91 19.409 -6.761 6.492 1.00 0.00 H new ATOM 0 HA GLN A 91 21.527 -5.310 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 91 19.520 -7.492 4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 91 20.860 -6.967 3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 91 21.123 -8.336 5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 91 21.267 -9.126 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 91 23.263 -8.839 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 91 24.659 -8.037 5.903 1.00 0.00 H new ATOM 1404 N GLY A 92 19.104 -3.734 4.709 1.00 0.00 N ATOM 1405 CA GLY A 92 18.219 -2.739 4.039 1.00 0.00 C ATOM 1406 C GLY A 92 17.462 -3.157 2.786 1.00 0.00 C ATOM 1407 O GLY A 92 17.395 -2.358 1.870 1.00 0.00 O ATOM 0 H GLY A 92 19.215 -3.521 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 92 17.485 -2.404 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 92 18.830 -1.874 3.782 1.00 0.00 H new ATOM 1411 N MET A 93 16.979 -4.408 2.759 1.00 0.00 N ATOM 1412 CA MET A 93 16.310 -5.064 1.618 1.00 0.00 C ATOM 1413 C MET A 93 17.013 -6.261 1.077 1.00 0.00 C ATOM 1414 O MET A 93 18.115 -6.198 0.534 1.00 0.00 O ATOM 1415 CB MET A 93 15.507 -4.215 0.587 1.00 0.00 C ATOM 1416 CG MET A 93 16.280 -3.508 -0.520 1.00 0.00 C ATOM 1417 SD MET A 93 15.198 -2.586 -1.644 1.00 0.00 S ATOM 1418 CE MET A 93 16.417 -1.849 -2.730 1.00 0.00 C ATOM 0 H MET A 93 17.046 -5.023 3.570 1.00 0.00 H new ATOM 0 HA MET A 93 15.444 -5.457 2.151 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.774 -4.869 0.116 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.950 -3.459 1.140 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.002 -2.824 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.847 -4.244 -1.090 1.00 0.00 H new ATOM 0 HE1 MET A 93 15.914 -1.245 -3.485 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.088 -1.217 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 93 16.992 -2.636 -3.219 1.00 0.00 H new ATOM 1428 N GLU A 94 16.375 -7.371 1.312 1.00 0.00 N ATOM 1429 CA GLU A 94 16.919 -8.655 1.005 1.00 0.00 C ATOM 1430 C GLU A 94 15.830 -9.614 0.539 1.00 0.00 C ATOM 1431 O GLU A 94 16.101 -10.467 -0.317 1.00 0.00 O ATOM 1432 CB GLU A 94 17.626 -9.191 2.264 1.00 0.00 C ATOM 1433 CG GLU A 94 18.191 -10.596 2.152 1.00 0.00 C ATOM 1434 CD GLU A 94 19.389 -10.701 1.237 1.00 0.00 C ATOM 1435 OE1 GLU A 94 19.279 -10.397 0.034 1.00 0.00 O ATOM 1436 OE2 GLU A 94 20.467 -11.089 1.718 1.00 0.00 O ATOM 0 H GLU A 94 15.445 -7.406 1.730 1.00 0.00 H new ATOM 0 HA GLU A 94 17.635 -8.567 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.439 -8.511 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.919 -9.168 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.473 -10.944 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.409 -11.264 1.790 1.00 0.00 H new ATOM 1443 N THR A 95 14.582 -9.376 0.980 1.00 0.00 N ATOM 1444 CA THR A 95 13.505 -10.328 0.770 1.00 0.00 C ATOM 1445 C THR A 95 12.349 -10.019 1.753 1.00 0.00 C ATOM 1446 O THR A 95 11.179 -10.121 1.401 1.00 0.00 O ATOM 1447 CB THR A 95 14.016 -11.798 0.991 1.00 0.00 C ATOM 1448 OG1 THR A 95 13.075 -12.775 0.533 1.00 0.00 O ATOM 1449 CG2 THR A 95 14.419 -12.063 2.446 1.00 0.00 C ATOM 0 H THR A 95 14.306 -8.532 1.481 1.00 0.00 H new ATOM 0 HA THR A 95 13.148 -10.238 -0.256 1.00 0.00 H new ATOM 0 HB THR A 95 14.914 -11.898 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.341 -12.850 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.765 -13.092 2.546 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.220 -11.382 2.731 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.559 -11.904 3.096 1.00 0.00 H new ATOM 1457 N SER A 96 12.698 -9.562 2.963 1.00 0.00 N ATOM 1458 CA SER A 96 11.723 -9.416 4.029 1.00 0.00 C ATOM 1459 C SER A 96 10.830 -8.207 3.797 1.00 0.00 C ATOM 1460 O SER A 96 9.656 -8.212 4.149 1.00 0.00 O ATOM 1461 CB SER A 96 12.439 -9.321 5.379 1.00 0.00 C ATOM 1462 OG SER A 96 11.547 -9.557 6.458 1.00 0.00 O ATOM 0 H SER A 96 13.647 -9.290 3.218 1.00 0.00 H new ATOM 0 HA SER A 96 11.081 -10.297 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.252 -10.046 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.888 -8.333 5.486 1.00 0.00 H new ATOM 0 HG SER A 96 12.034 -9.491 7.306 1.00 0.00 H new ATOM 1468 N GLU A 97 11.390 -7.236 3.116 1.00 0.00 N ATOM 1469 CA GLU A 97 10.697 -5.984 2.846 1.00 0.00 C ATOM 1470 C GLU A 97 9.480 -6.194 1.956 1.00 0.00 C ATOM 1471 O GLU A 97 8.471 -5.540 2.078 1.00 0.00 O ATOM 1472 CB GLU A 97 11.644 -4.979 2.211 1.00 0.00 C ATOM 1473 CG GLU A 97 12.187 -5.305 0.812 1.00 0.00 C ATOM 1474 CD GLU A 97 13.210 -6.435 0.759 1.00 0.00 C ATOM 1475 OE1 GLU A 97 13.657 -6.937 1.812 1.00 0.00 O ATOM 1476 OE2 GLU A 97 13.617 -6.809 -0.332 1.00 0.00 O ATOM 0 H GLU A 97 12.334 -7.284 2.732 1.00 0.00 H new ATOM 0 HA GLU A 97 10.347 -5.591 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.130 -4.019 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.494 -4.848 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.349 -5.565 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.642 -4.405 0.398 1.00 0.00 H new ATOM 1483 N MET A 98 9.634 -7.106 1.076 1.00 0.00 N ATOM 1484 CA MET A 98 8.665 -7.525 0.113 1.00 0.00 C ATOM 1485 C MET A 98 7.401 -8.048 0.809 1.00 0.00 C ATOM 1486 O MET A 98 6.336 -7.464 0.708 1.00 0.00 O ATOM 1487 CB MET A 98 9.371 -8.607 -0.680 1.00 0.00 C ATOM 1488 CG MET A 98 10.696 -8.118 -1.238 1.00 0.00 C ATOM 1489 SD MET A 98 11.643 -9.401 -2.055 1.00 0.00 S ATOM 1490 CE MET A 98 12.941 -8.442 -2.806 1.00 0.00 C ATOM 0 H MET A 98 10.507 -7.627 0.995 1.00 0.00 H new ATOM 0 HA MET A 98 8.324 -6.714 -0.531 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.542 -9.474 -0.041 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.730 -8.936 -1.498 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.508 -7.310 -1.945 1.00 0.00 H new ATOM 0 HG3 MET A 98 11.291 -7.699 -0.426 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.137 -8.818 -3.810 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.635 -7.397 -2.863 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.847 -8.522 -2.205 1.00 0.00 H new ATOM 1500 N LEU A 99 7.566 -9.124 1.548 1.00 0.00 N ATOM 1501 CA LEU A 99 6.392 -9.640 2.286 1.00 0.00 C ATOM 1502 C LEU A 99 6.018 -8.741 3.480 1.00 0.00 C ATOM 1503 O LEU A 99 4.940 -8.881 4.106 1.00 0.00 O ATOM 1504 CB LEU A 99 6.431 -11.150 2.619 1.00 0.00 C ATOM 1505 CG LEU A 99 7.485 -11.705 3.584 1.00 0.00 C ATOM 1506 CD1 LEU A 99 7.254 -13.194 3.770 1.00 0.00 C ATOM 1507 CD2 LEU A 99 8.889 -11.475 3.073 1.00 0.00 C ATOM 0 H LEU A 99 8.436 -9.644 1.663 1.00 0.00 H new ATOM 0 HA LEU A 99 5.564 -9.577 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.454 -11.416 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.544 -11.685 1.676 1.00 0.00 H new ATOM 0 HG LEU A 99 7.385 -11.180 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.001 -13.595 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.258 -13.359 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.337 -13.698 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.607 -11.883 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.012 -11.971 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.063 -10.405 2.955 1.00 0.00 H new ATOM 1519 N ALA A 100 6.916 -7.803 3.778 1.00 0.00 N ATOM 1520 CA ALA A 100 6.641 -6.773 4.757 1.00 0.00 C ATOM 1521 C ALA A 100 5.438 -5.959 4.363 1.00 0.00 C ATOM 1522 O ALA A 100 4.634 -5.595 5.213 1.00 0.00 O ATOM 1523 CB ALA A 100 7.809 -5.850 4.969 1.00 0.00 C ATOM 0 H ALA A 100 7.840 -7.742 3.350 1.00 0.00 H new ATOM 0 HA ALA A 100 6.444 -7.294 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.548 -5.097 5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.667 -6.424 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.060 -5.359 4.029 1.00 0.00 H new ATOM 1529 N LEU A 101 5.289 -5.741 3.057 1.00 0.00 N ATOM 1530 CA LEU A 101 4.191 -4.975 2.480 1.00 0.00 C ATOM 1531 C LEU A 101 2.863 -5.511 2.931 1.00 0.00 C ATOM 1532 O LEU A 101 1.920 -4.765 3.141 1.00 0.00 O ATOM 1533 CB LEU A 101 4.245 -4.986 0.968 1.00 0.00 C ATOM 1534 CG LEU A 101 5.125 -3.926 0.270 1.00 0.00 C ATOM 1535 CD1 LEU A 101 4.364 -2.615 0.183 1.00 0.00 C ATOM 1536 CD2 LEU A 101 6.413 -3.656 1.028 1.00 0.00 C ATOM 0 H LEU A 101 5.941 -6.099 2.360 1.00 0.00 H new ATOM 0 HA LEU A 101 4.301 -3.949 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.593 -5.970 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.227 -4.873 0.596 1.00 0.00 H new ATOM 0 HG LEU A 101 5.371 -4.318 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.984 -1.866 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.449 -2.763 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.111 -2.274 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.997 -2.904 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.177 -3.293 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.991 -4.577 1.103 1.00 0.00 H new ATOM 1548 N LEU A 102 2.822 -6.789 3.155 1.00 0.00 N ATOM 1549 CA LEU A 102 1.641 -7.433 3.591 1.00 0.00 C ATOM 1550 C LEU A 102 1.280 -7.073 5.035 1.00 0.00 C ATOM 1551 O LEU A 102 0.138 -6.740 5.310 1.00 0.00 O ATOM 1552 CB LEU A 102 1.765 -8.924 3.413 1.00 0.00 C ATOM 1553 CG LEU A 102 0.635 -9.722 4.004 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.640 -9.517 3.192 1.00 0.00 C ATOM 1555 CD2 LEU A 102 1.017 -11.185 4.134 1.00 0.00 C ATOM 0 H LEU A 102 3.621 -7.412 3.036 1.00 0.00 H new ATOM 0 HA LEU A 102 0.821 -7.073 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.830 -9.145 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.700 -9.254 3.865 1.00 0.00 H new ATOM 0 HG LEU A 102 0.434 -9.362 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.449 -10.101 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.909 -8.461 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.474 -9.843 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.184 -11.742 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.253 -11.588 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.888 -11.277 4.783 1.00 0.00 H new ATOM 1567 N HIS A 103 2.218 -7.108 5.969 1.00 0.00 N ATOM 1568 CA HIS A 103 1.841 -6.749 7.333 1.00 0.00 C ATOM 1569 C HIS A 103 1.612 -5.258 7.450 1.00 0.00 C ATOM 1570 O HIS A 103 0.828 -4.813 8.266 1.00 0.00 O ATOM 1571 CB HIS A 103 2.804 -7.278 8.419 1.00 0.00 C ATOM 1572 CG HIS A 103 4.243 -6.893 8.268 1.00 0.00 C ATOM 1573 ND1 HIS A 103 4.672 -5.595 8.411 1.00 0.00 N ATOM 1574 CD2 HIS A 103 5.293 -7.676 7.957 1.00 0.00 C ATOM 1575 CE1 HIS A 103 5.972 -5.624 8.168 1.00 0.00 C ATOM 1576 NE2 HIS A 103 6.388 -6.863 7.899 1.00 0.00 N ATOM 0 H HIS A 103 3.194 -7.366 5.825 1.00 0.00 H new ATOM 0 HA HIS A 103 0.899 -7.261 7.532 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.454 -6.925 9.389 1.00 0.00 H new ATOM 0 HB3 HIS A 103 2.740 -8.366 8.434 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.107 -4.781 8.653 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.273 -8.742 7.786 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.614 -4.756 8.185 1.00 0.00 H new ATOM 1584 N ILE A 104 2.230 -4.505 6.562 1.00 0.00 N ATOM 1585 CA ILE A 104 2.049 -3.055 6.591 1.00 0.00 C ATOM 1586 C ILE A 104 0.731 -2.676 5.931 1.00 0.00 C ATOM 1587 O ILE A 104 0.042 -1.773 6.381 1.00 0.00 O ATOM 1588 CB ILE A 104 3.298 -2.234 6.078 1.00 0.00 C ATOM 1589 CG1 ILE A 104 3.084 -0.705 6.019 1.00 0.00 C ATOM 1590 CG2 ILE A 104 3.813 -2.726 4.757 1.00 0.00 C ATOM 1591 CD1 ILE A 104 2.406 -0.222 4.744 1.00 0.00 C ATOM 0 H ILE A 104 2.847 -4.853 5.828 1.00 0.00 H new ATOM 0 HA ILE A 104 1.984 -2.755 7.637 1.00 0.00 H new ATOM 0 HB ILE A 104 4.053 -2.417 6.843 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.483 -0.399 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.050 -0.210 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.671 -2.125 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.115 -3.769 4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.028 -2.642 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.292 0.861 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.015 -0.494 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.424 -0.687 4.655 1.00 0.00 H new ATOM 1603 N THR A 105 0.326 -3.456 4.954 1.00 0.00 N ATOM 1604 CA THR A 105 -0.938 -3.208 4.283 1.00 0.00 C ATOM 1605 C THR A 105 -2.091 -3.654 5.190 1.00 0.00 C ATOM 1606 O THR A 105 -3.216 -3.191 5.093 1.00 0.00 O ATOM 1607 CB THR A 105 -1.003 -3.908 2.894 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.023 -3.321 2.080 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.311 -5.388 3.036 1.00 0.00 C ATOM 0 H THR A 105 0.846 -4.262 4.606 1.00 0.00 H new ATOM 0 HA THR A 105 -1.028 -2.138 4.094 1.00 0.00 H new ATOM 0 HB THR A 105 -0.026 -3.780 2.428 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.851 -3.530 1.138 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.350 -5.848 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.532 -5.867 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.273 -5.513 3.533 1.00 0.00 H new ATOM 1617 N ARG A 106 -1.790 -4.553 6.087 1.00 0.00 N ATOM 1618 CA ARG A 106 -2.784 -5.021 7.016 1.00 0.00 C ATOM 1619 C ARG A 106 -2.848 -4.102 8.199 1.00 0.00 C ATOM 1620 O ARG A 106 -3.905 -3.740 8.662 1.00 0.00 O ATOM 1621 CB ARG A 106 -2.445 -6.408 7.495 1.00 0.00 C ATOM 1622 CG ARG A 106 -2.577 -7.485 6.447 1.00 0.00 C ATOM 1623 CD ARG A 106 -2.227 -8.844 7.041 1.00 0.00 C ATOM 1624 NE ARG A 106 -2.244 -9.945 6.066 1.00 0.00 N ATOM 1625 CZ ARG A 106 -2.210 -11.247 6.402 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -2.304 -11.603 7.679 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -2.091 -12.191 5.470 1.00 0.00 N ATOM 0 H ARG A 106 -0.868 -4.975 6.195 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.748 -5.040 6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.422 -6.408 7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.093 -6.656 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.595 -7.501 6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.918 -7.267 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.237 -8.788 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.930 -9.071 7.842 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.284 -9.707 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.402 -10.890 8.401 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.279 -12.590 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.024 -11.931 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.067 -13.174 5.740 1.00 0.00 H new ATOM 1641 N ASP A 107 -1.711 -3.698 8.662 1.00 0.00 N ATOM 1642 CA ASP A 107 -1.651 -2.855 9.828 1.00 0.00 C ATOM 1643 C ASP A 107 -2.099 -1.436 9.516 1.00 0.00 C ATOM 1644 O ASP A 107 -3.155 -0.958 9.980 1.00 0.00 O ATOM 1645 CB ASP A 107 -0.227 -2.865 10.386 1.00 0.00 C ATOM 1646 CG ASP A 107 -0.113 -2.082 11.675 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -0.678 -2.521 12.698 1.00 0.00 O ATOM 1648 OD2 ASP A 107 0.543 -1.019 11.701 1.00 0.00 O ATOM 0 H ASP A 107 -0.806 -3.934 8.256 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.337 -3.249 10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.086 -3.895 10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.454 -2.445 9.646 1.00 0.00 H new ATOM 1653 N ALA A 108 -1.384 -0.828 8.610 1.00 0.00 N ATOM 1654 CA ALA A 108 -1.509 0.571 8.331 1.00 0.00 C ATOM 1655 C ALA A 108 -2.714 0.895 7.481 1.00 0.00 C ATOM 1656 O ALA A 108 -3.029 2.030 7.326 1.00 0.00 O ATOM 1657 CB ALA A 108 -0.264 1.013 7.607 1.00 0.00 C ATOM 0 H ALA A 108 -0.686 -1.302 8.036 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.638 1.094 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.333 2.077 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.607 0.831 8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.164 0.451 6.678 1.00 0.00 H new ATOM 1663 N TYR A 109 -3.321 -0.092 6.888 1.00 0.00 N ATOM 1664 CA TYR A 109 -4.485 0.201 6.020 1.00 0.00 C ATOM 1665 C TYR A 109 -5.778 -0.242 6.688 1.00 0.00 C ATOM 1666 O TYR A 109 -6.776 0.458 6.708 1.00 0.00 O ATOM 1667 CB TYR A 109 -4.356 -0.486 4.659 1.00 0.00 C ATOM 1668 CG TYR A 109 -3.223 0.003 3.779 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -1.908 -0.094 4.189 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -3.471 0.535 2.523 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -0.876 0.323 3.396 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -2.435 0.961 1.713 1.00 0.00 C ATOM 1673 CZ TYR A 109 -1.137 0.853 2.157 1.00 0.00 C ATOM 1674 OH TYR A 109 -0.102 1.276 1.355 1.00 0.00 O ATOM 0 H TYR A 109 -3.064 -1.076 6.967 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.508 1.280 5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -4.227 -1.556 4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -5.293 -0.357 4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.689 -0.510 5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.489 0.618 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 109 0.143 0.236 3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -2.643 1.376 0.738 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.462 1.623 0.512 1.00 0.00 H new ATOM 1684 N ARG A 110 -5.696 -1.383 7.301 1.00 0.00 N ATOM 1685 CA ARG A 110 -6.902 -1.965 7.915 1.00 0.00 C ATOM 1686 C ARG A 110 -7.452 -1.140 9.083 1.00 0.00 C ATOM 1687 O ARG A 110 -8.507 -1.439 9.641 1.00 0.00 O ATOM 1688 CB ARG A 110 -6.740 -3.445 8.227 1.00 0.00 C ATOM 1689 CG ARG A 110 -6.558 -4.256 6.956 1.00 0.00 C ATOM 1690 CD ARG A 110 -7.870 -4.360 6.197 1.00 0.00 C ATOM 1691 NE ARG A 110 -7.707 -4.854 4.836 1.00 0.00 N ATOM 1692 CZ ARG A 110 -8.425 -5.843 4.288 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -9.475 -6.335 4.930 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -8.144 -6.282 3.061 1.00 0.00 N ATOM 0 H ARG A 110 -4.844 -1.934 7.401 1.00 0.00 H new ATOM 0 HA ARG A 110 -7.682 -1.911 7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.880 -3.590 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.616 -3.803 8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.802 -3.789 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.194 -5.253 7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.545 -5.023 6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.344 -3.379 6.166 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.992 -4.413 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.737 -5.960 5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.021 -7.088 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.378 -5.864 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.695 -7.036 2.650 1.00 0.00 H new ATOM 1708 N SER A 111 -6.729 -0.103 9.443 1.00 0.00 N ATOM 1709 CA SER A 111 -7.252 0.826 10.413 1.00 0.00 C ATOM 1710 C SER A 111 -8.115 1.991 9.800 1.00 0.00 C ATOM 1711 O SER A 111 -8.834 2.645 10.545 1.00 0.00 O ATOM 1712 CB SER A 111 -6.107 1.364 11.258 1.00 0.00 C ATOM 1713 OG SER A 111 -5.367 0.292 11.825 1.00 0.00 O ATOM 0 H SER A 111 -5.798 0.114 9.087 1.00 0.00 H new ATOM 0 HA SER A 111 -7.952 0.272 11.038 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.452 1.982 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.499 2.003 12.049 1.00 0.00 H new ATOM 0 HG SER A 111 -4.718 -0.040 11.170 1.00 0.00 H new ATOM 1719 N TRP A 112 -8.106 2.229 8.451 1.00 0.00 N ATOM 1720 CA TRP A 112 -8.794 3.419 7.820 1.00 0.00 C ATOM 1721 C TRP A 112 -9.002 3.239 6.309 1.00 0.00 C ATOM 1722 O TRP A 112 -9.395 4.168 5.611 1.00 0.00 O ATOM 1723 CB TRP A 112 -7.964 4.734 8.054 1.00 0.00 C ATOM 1724 CG TRP A 112 -6.584 4.440 8.536 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -5.653 3.738 7.860 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -5.988 4.778 9.799 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -4.557 3.587 8.611 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -4.707 4.213 9.787 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -6.393 5.486 10.928 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -3.827 4.302 10.835 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -5.507 5.594 11.986 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.233 5.003 11.934 1.00 0.00 C ATOM 0 H TRP A 112 -7.636 1.622 7.779 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.769 3.497 8.301 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -7.911 5.301 7.124 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.477 5.363 8.782 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -5.774 3.354 6.858 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -3.725 3.069 8.329 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.372 5.939 10.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -2.853 3.837 10.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.800 6.143 12.869 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.565 5.105 12.776 1.00 0.00 H new ATOM 1743 N THR A 113 -8.778 2.043 5.819 1.00 0.00 N ATOM 1744 CA THR A 113 -8.807 1.791 4.383 1.00 0.00 C ATOM 1745 C THR A 113 -9.742 0.611 4.086 1.00 0.00 C ATOM 1746 O THR A 113 -9.865 0.174 2.939 1.00 0.00 O ATOM 1747 CB THR A 113 -7.382 1.450 3.883 1.00 0.00 C ATOM 1748 OG1 THR A 113 -6.427 2.280 4.547 1.00 0.00 O ATOM 1749 CG2 THR A 113 -7.232 1.724 2.409 1.00 0.00 C ATOM 0 H THR A 113 -8.572 1.222 6.388 1.00 0.00 H new ATOM 0 HA THR A 113 -9.169 2.683 3.871 1.00 0.00 H new ATOM 0 HB THR A 113 -7.218 0.392 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.613 2.340 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.219 1.473 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.946 1.118 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.422 2.780 2.214 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.462 0.189 5.135 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.328 -1.007 5.157 1.00 0.00 C ATOM 1759 C ASN A 114 -10.513 -2.221 5.455 1.00 0.00 C ATOM 1760 O ASN A 114 -10.398 -2.563 6.654 1.00 0.00 O ATOM 1761 CB ASN A 114 -12.210 -1.237 3.909 1.00 0.00 C ATOM 1762 CG ASN A 114 -13.208 -0.139 3.659 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -14.336 -0.172 4.153 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -12.810 0.841 2.885 1.00 0.00 N ATOM 1765 OXT ASN A 114 -9.974 -2.815 4.530 1.00 0.00 O ATOM 0 H ASN A 114 -10.460 0.686 6.025 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.046 -0.812 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.567 -1.336 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.743 -2.181 4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.443 1.612 2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.868 0.832 2.495 1.00 0.00 H new