USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 623 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 50 THR OG1 : rot 149:sc= -1.6 USER MOD Set 1.2: A 69 ASN : amide:sc= -1.88 K(o=-3.5,f=-6.1) USER MOD Single : A 7 SER OG : rot 180:sc= -1.57 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.3) USER MOD Single : A 15 SER OG : rot 180:sc= 0.148 USER MOD Single : A 16 THR OG1 : rot 61:sc= 1.34 USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= 0.725 (180deg=0.498) USER MOD Single : A 22 GLN : amide:sc= -2.46 K(o=-2.5,f=-6.3!) USER MOD Single : A 24 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.92) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.263 USER MOD Single : A 34 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.53) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -5.41! C(o=-5.4!,f=-8.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.395 X(o=-0.4,f=-0.14) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 150:sc= -0.132 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.83 K(o=-1.8,f=-7.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.41 USER MOD Single : A 62 HIS : no HD1:sc= -5.63! C(o=-5.6!,f=-5.1!) USER MOD Single : A 66 SER OG : rot 180:sc= -1.74! USER MOD Single : A 67 THR OG1 : rot -46:sc= 0.0616 USER MOD Single : A 70 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 72 ASN : amide:sc= -0.871 K(o=-0.87,f=-0.085) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -0.0884 (180deg=-0.566) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.554 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= -0.759 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.134 7.710 -4.079 1.00 15.24 N ATOM 43 CA ALA A 4 4.322 8.162 -4.791 1.00 52.54 C ATOM 44 C ALA A 4 4.388 9.685 -4.837 1.00 4.32 C ATOM 45 O ALA A 4 3.360 10.360 -4.911 1.00 25.00 O ATOM 46 CB ALA A 4 4.342 7.589 -6.201 1.00 1.14 C ATOM 0 HA ALA A 4 5.198 7.802 -4.251 1.00 52.54 H new ATOM 0 HB1 ALA A 4 5.235 7.935 -6.722 1.00 1.14 H new ATOM 0 HB2 ALA A 4 4.350 6.500 -6.151 1.00 1.14 H new ATOM 0 HB3 ALA A 4 3.456 7.921 -6.741 1.00 1.14 H new ATOM 52 N LEU A 5 5.603 10.221 -4.791 1.00 50.22 N ATOM 53 CA LEU A 5 5.804 11.666 -4.826 1.00 73.35 C ATOM 54 C LEU A 5 5.047 12.292 -5.993 1.00 40.33 C ATOM 55 O LEU A 5 4.864 11.665 -7.037 1.00 4.21 O ATOM 56 CB LEU A 5 7.294 11.991 -4.937 1.00 64.31 C ATOM 57 CG LEU A 5 8.035 12.202 -3.616 1.00 62.13 C ATOM 58 CD1 LEU A 5 7.485 13.416 -2.884 1.00 34.44 C ATOM 59 CD2 LEU A 5 7.935 10.959 -2.744 1.00 13.12 C ATOM 0 H LEU A 5 6.464 9.677 -4.729 1.00 50.22 H new ATOM 0 HA LEU A 5 5.416 12.085 -3.898 1.00 73.35 H new ATOM 0 HB2 LEU A 5 7.783 11.182 -5.479 1.00 64.31 H new ATOM 0 HB3 LEU A 5 7.405 12.892 -5.541 1.00 64.31 H new ATOM 0 HG LEU A 5 9.087 12.383 -3.836 1.00 62.13 H new ATOM 0 HD11 LEU A 5 8.024 13.551 -1.946 1.00 34.44 H new ATOM 0 HD12 LEU A 5 7.610 14.303 -3.505 1.00 34.44 H new ATOM 0 HD13 LEU A 5 6.426 13.266 -2.675 1.00 34.44 H new ATOM 0 HD21 LEU A 5 8.468 11.127 -1.808 1.00 13.12 H new ATOM 0 HD22 LEU A 5 6.887 10.747 -2.532 1.00 13.12 H new ATOM 0 HD23 LEU A 5 8.378 10.111 -3.267 1.00 13.12 H new ATOM 71 N VAL A 6 4.610 13.534 -5.810 1.00 44.41 N ATOM 72 CA VAL A 6 3.876 14.248 -6.849 1.00 24.35 C ATOM 73 C VAL A 6 4.237 15.729 -6.858 1.00 22.13 C ATOM 74 O VAL A 6 4.701 16.259 -7.867 1.00 53.22 O ATOM 75 CB VAL A 6 2.355 14.102 -6.661 1.00 14.33 C ATOM 76 CG1 VAL A 6 1.607 14.891 -7.725 1.00 63.14 C ATOM 77 CG2 VAL A 6 1.952 12.636 -6.691 1.00 61.41 C ATOM 0 H VAL A 6 4.751 14.067 -4.952 1.00 44.41 H new ATOM 0 HA VAL A 6 4.161 13.803 -7.802 1.00 24.35 H new ATOM 0 HB VAL A 6 2.087 14.508 -5.686 1.00 14.33 H new ATOM 0 HG11 VAL A 6 0.533 14.776 -7.576 1.00 63.14 H new ATOM 0 HG12 VAL A 6 1.873 15.945 -7.650 1.00 63.14 H new ATOM 0 HG13 VAL A 6 1.878 14.518 -8.713 1.00 63.14 H new ATOM 0 HG21 VAL A 6 0.874 12.552 -6.557 1.00 61.41 H new ATOM 0 HG22 VAL A 6 2.233 12.201 -7.650 1.00 61.41 H new ATOM 0 HG23 VAL A 6 2.460 12.102 -5.888 1.00 61.41 H new ATOM 87 N SER A 7 4.022 16.392 -5.726 1.00 32.21 N ATOM 88 CA SER A 7 4.321 17.814 -5.604 1.00 62.31 C ATOM 89 C SER A 7 4.491 18.210 -4.141 1.00 32.35 C ATOM 90 O SER A 7 4.243 17.410 -3.237 1.00 54.43 O ATOM 91 CB SER A 7 3.209 18.647 -6.244 1.00 44.32 C ATOM 92 OG SER A 7 2.692 18.007 -7.398 1.00 1.41 O ATOM 0 H SER A 7 3.642 15.967 -4.880 1.00 32.21 H new ATOM 0 HA SER A 7 5.258 18.009 -6.126 1.00 62.31 H new ATOM 0 HB2 SER A 7 2.408 18.805 -5.522 1.00 44.32 H new ATOM 0 HB3 SER A 7 3.595 19.630 -6.512 1.00 44.32 H new ATOM 0 HG SER A 7 1.982 18.559 -7.788 1.00 1.41 H new ATOM 98 N ILE A 8 4.915 19.448 -3.915 1.00 3.42 N ATOM 99 CA ILE A 8 5.117 19.951 -2.562 1.00 4.43 C ATOM 100 C ILE A 8 4.757 21.430 -2.466 1.00 3.15 C ATOM 101 O ILE A 8 4.774 22.150 -3.464 1.00 25.11 O ATOM 102 CB ILE A 8 6.574 19.758 -2.101 1.00 2.30 C ATOM 103 CG1 ILE A 8 7.446 20.915 -2.594 1.00 53.13 C ATOM 104 CG2 ILE A 8 7.116 18.428 -2.602 1.00 44.25 C ATOM 105 CD1 ILE A 8 7.443 21.075 -4.099 1.00 23.44 C ATOM 0 H ILE A 8 5.125 20.122 -4.651 1.00 3.42 H new ATOM 0 HA ILE A 8 4.459 19.376 -1.910 1.00 4.43 H new ATOM 0 HB ILE A 8 6.597 19.750 -1.011 1.00 2.30 H new ATOM 0 HG12 ILE A 8 7.098 21.842 -2.137 1.00 53.13 H new ATOM 0 HG13 ILE A 8 8.470 20.758 -2.255 1.00 53.13 H new ATOM 0 HG21 ILE A 8 8.146 18.306 -2.268 1.00 44.25 H new ATOM 0 HG22 ILE A 8 6.508 17.615 -2.206 1.00 44.25 H new ATOM 0 HG23 ILE A 8 7.083 18.409 -3.691 1.00 44.25 H new ATOM 0 HD11 ILE A 8 8.082 21.913 -4.377 1.00 23.44 H new ATOM 0 HD12 ILE A 8 7.819 20.163 -4.563 1.00 23.44 H new ATOM 0 HD13 ILE A 8 6.426 21.264 -4.443 1.00 23.44 H new ATOM 117 N SER A 9 4.433 21.877 -1.256 1.00 40.15 N ATOM 118 CA SER A 9 4.067 23.270 -1.029 1.00 51.24 C ATOM 119 C SER A 9 5.169 24.005 -0.272 1.00 33.01 C ATOM 120 O SER A 9 5.365 23.790 0.924 1.00 5.02 O ATOM 121 CB SER A 9 2.753 23.354 -0.250 1.00 23.34 C ATOM 122 OG SER A 9 1.658 23.585 -1.119 1.00 1.14 O ATOM 0 H SER A 9 4.417 21.295 -0.419 1.00 40.15 H new ATOM 0 HA SER A 9 3.936 23.748 -2.000 1.00 51.24 H new ATOM 0 HB2 SER A 9 2.594 22.428 0.302 1.00 23.34 H new ATOM 0 HB3 SER A 9 2.813 24.156 0.485 1.00 23.34 H new ATOM 0 HG SER A 9 0.830 23.633 -0.597 1.00 1.14 H new ATOM 128 N VAL A 10 5.885 24.874 -0.978 1.00 24.10 N ATOM 129 CA VAL A 10 6.967 25.642 -0.374 1.00 2.23 C ATOM 130 C VAL A 10 6.710 27.140 -0.492 1.00 41.21 C ATOM 131 O VAL A 10 6.322 27.632 -1.552 1.00 30.03 O ATOM 132 CB VAL A 10 8.323 25.312 -1.026 1.00 73.03 C ATOM 133 CG1 VAL A 10 8.826 23.956 -0.555 1.00 2.20 C ATOM 134 CG2 VAL A 10 8.207 25.349 -2.543 1.00 13.14 C ATOM 0 H VAL A 10 5.735 25.064 -1.969 1.00 24.10 H new ATOM 0 HA VAL A 10 7.002 25.364 0.679 1.00 2.23 H new ATOM 0 HB VAL A 10 9.047 26.067 -0.721 1.00 73.03 H new ATOM 0 HG11 VAL A 10 9.785 23.740 -1.026 1.00 2.20 H new ATOM 0 HG12 VAL A 10 8.949 23.970 0.528 1.00 2.20 H new ATOM 0 HG13 VAL A 10 8.105 23.185 -0.829 1.00 2.20 H new ATOM 0 HG21 VAL A 10 9.174 25.114 -2.988 1.00 13.14 H new ATOM 0 HG22 VAL A 10 7.469 24.616 -2.869 1.00 13.14 H new ATOM 0 HG23 VAL A 10 7.895 26.344 -2.860 1.00 13.14 H new ATOM 144 N SER A 11 6.930 27.861 0.603 1.00 55.12 N ATOM 145 CA SER A 11 6.718 29.304 0.623 1.00 24.22 C ATOM 146 C SER A 11 8.028 30.041 0.886 1.00 62.11 C ATOM 147 O SER A 11 8.219 30.668 1.928 1.00 50.32 O ATOM 148 CB SER A 11 5.688 29.675 1.692 1.00 62.24 C ATOM 149 OG SER A 11 4.692 28.674 1.809 1.00 71.14 O ATOM 0 H SER A 11 7.255 27.470 1.487 1.00 55.12 H new ATOM 0 HA SER A 11 6.341 29.605 -0.354 1.00 24.22 H new ATOM 0 HB2 SER A 11 6.187 29.810 2.652 1.00 62.24 H new ATOM 0 HB3 SER A 11 5.223 30.628 1.438 1.00 62.24 H new ATOM 0 HG SER A 11 4.047 28.934 2.499 1.00 71.14 H new ATOM 155 N PRO A 12 8.954 29.964 -0.082 1.00 33.11 N ATOM 156 CA PRO A 12 10.262 30.618 0.020 1.00 31.52 C ATOM 157 C PRO A 12 10.159 32.137 -0.064 1.00 21.43 C ATOM 158 O PRO A 12 9.210 32.675 -0.634 1.00 73.03 O ATOM 159 CB PRO A 12 11.029 30.066 -1.184 1.00 52.24 C ATOM 160 CG PRO A 12 9.973 29.689 -2.165 1.00 51.14 C ATOM 161 CD PRO A 12 8.794 29.233 -1.350 1.00 43.45 C ATOM 0 HA PRO A 12 10.744 30.419 0.977 1.00 31.52 H new ATOM 0 HB2 PRO A 12 11.706 30.813 -1.599 1.00 52.24 H new ATOM 0 HB3 PRO A 12 11.636 29.205 -0.906 1.00 52.24 H new ATOM 0 HG2 PRO A 12 9.706 30.537 -2.796 1.00 51.14 H new ATOM 0 HG3 PRO A 12 10.320 28.895 -2.827 1.00 51.14 H new ATOM 0 HD2 PRO A 12 7.850 29.476 -1.838 1.00 43.45 H new ATOM 0 HD3 PRO A 12 8.805 28.154 -1.196 1.00 43.45 H new ATOM 169 N THR A 13 11.143 32.824 0.508 1.00 13.42 N ATOM 170 CA THR A 13 11.162 34.282 0.499 1.00 64.44 C ATOM 171 C THR A 13 12.362 34.810 -0.280 1.00 54.10 C ATOM 172 O THR A 13 13.507 34.644 0.138 1.00 53.23 O ATOM 173 CB THR A 13 11.201 34.852 1.929 1.00 43.32 C ATOM 174 OG1 THR A 13 10.052 34.415 2.662 1.00 13.21 O ATOM 175 CG2 THR A 13 11.245 36.373 1.904 1.00 61.33 C ATOM 0 H THR A 13 11.937 32.395 0.983 1.00 13.42 H new ATOM 0 HA THR A 13 10.243 34.608 0.012 1.00 64.44 H new ATOM 0 HB THR A 13 12.104 34.486 2.418 1.00 43.32 H new ATOM 0 HG1 THR A 13 10.085 34.780 3.571 1.00 13.21 H new ATOM 0 HG21 THR A 13 11.272 36.753 2.925 1.00 61.33 H new ATOM 0 HG22 THR A 13 12.137 36.702 1.370 1.00 61.33 H new ATOM 0 HG23 THR A 13 10.358 36.754 1.398 1.00 61.33 H new ATOM 183 N ASN A 14 12.090 35.448 -1.414 1.00 65.01 N ATOM 184 CA ASN A 14 13.149 36.001 -2.252 1.00 15.55 C ATOM 185 C ASN A 14 13.280 37.506 -2.038 1.00 3.32 C ATOM 186 O ASN A 14 12.948 38.300 -2.918 1.00 1.11 O ATOM 187 CB ASN A 14 12.867 35.707 -3.726 1.00 52.33 C ATOM 188 CG ASN A 14 12.507 34.254 -3.967 1.00 63.25 C ATOM 189 OD1 ASN A 14 13.374 33.428 -4.253 1.00 22.42 O ATOM 190 ND2 ASN A 14 11.223 33.935 -3.854 1.00 1.52 N ATOM 0 H ASN A 14 11.147 35.595 -1.774 1.00 65.01 H new ATOM 0 HA ASN A 14 14.089 35.528 -1.968 1.00 15.55 H new ATOM 0 HB2 ASN A 14 12.051 36.343 -4.071 1.00 52.33 H new ATOM 0 HB3 ASN A 14 13.744 35.964 -4.319 1.00 52.33 H new ATOM 0 HD21 ASN A 14 10.921 32.973 -4.006 1.00 1.52 H new ATOM 0 HD22 ASN A 14 10.538 34.652 -3.615 1.00 1.52 H new ATOM 197 N SER A 15 13.768 37.891 -0.863 1.00 11.24 N ATOM 198 CA SER A 15 13.941 39.301 -0.531 1.00 60.34 C ATOM 199 C SER A 15 15.192 39.510 0.316 1.00 23.11 C ATOM 200 O SER A 15 16.006 38.600 0.480 1.00 35.21 O ATOM 201 CB SER A 15 12.713 39.826 0.214 1.00 34.32 C ATOM 202 OG SER A 15 12.661 41.241 0.178 1.00 12.45 O ATOM 0 H SER A 15 14.051 37.246 -0.125 1.00 11.24 H new ATOM 0 HA SER A 15 14.057 39.856 -1.462 1.00 60.34 H new ATOM 0 HB2 SER A 15 11.809 39.414 -0.234 1.00 34.32 H new ATOM 0 HB3 SER A 15 12.739 39.486 1.249 1.00 34.32 H new ATOM 0 HG SER A 15 11.866 41.551 0.660 1.00 12.45 H new ATOM 208 N THR A 16 15.340 40.717 0.854 1.00 65.15 N ATOM 209 CA THR A 16 16.492 41.048 1.683 1.00 30.12 C ATOM 210 C THR A 16 16.065 41.389 3.106 1.00 14.11 C ATOM 211 O THR A 16 15.002 41.971 3.323 1.00 13.12 O ATOM 212 CB THR A 16 17.283 42.233 1.099 1.00 42.32 C ATOM 213 OG1 THR A 16 18.159 42.776 2.093 1.00 30.34 O ATOM 214 CG2 THR A 16 16.342 43.318 0.599 1.00 54.43 C ATOM 0 H THR A 16 14.676 41.481 0.730 1.00 65.15 H new ATOM 0 HA THR A 16 17.133 40.166 1.700 1.00 30.12 H new ATOM 0 HB THR A 16 17.872 41.868 0.257 1.00 42.32 H new ATOM 0 HG1 THR A 16 18.792 42.086 2.383 1.00 30.34 H new ATOM 0 HG21 THR A 16 16.924 44.145 0.191 1.00 54.43 H new ATOM 0 HG22 THR A 16 15.697 42.910 -0.179 1.00 54.43 H new ATOM 0 HG23 THR A 16 15.730 43.678 1.426 1.00 54.43 H new ATOM 222 N VAL A 17 16.900 41.024 4.074 1.00 72.24 N ATOM 223 CA VAL A 17 16.609 41.293 5.477 1.00 51.03 C ATOM 224 C VAL A 17 17.804 41.936 6.172 1.00 34.11 C ATOM 225 O VAL A 17 18.947 41.764 5.750 1.00 53.43 O ATOM 226 CB VAL A 17 16.224 40.004 6.228 1.00 42.45 C ATOM 227 CG1 VAL A 17 17.431 39.090 6.373 1.00 42.15 C ATOM 228 CG2 VAL A 17 15.631 40.338 7.588 1.00 21.21 C ATOM 0 H VAL A 17 17.784 40.541 3.912 1.00 72.24 H new ATOM 0 HA VAL A 17 15.765 41.983 5.499 1.00 51.03 H new ATOM 0 HB VAL A 17 15.467 39.477 5.647 1.00 42.45 H new ATOM 0 HG11 VAL A 17 17.140 38.185 6.906 1.00 42.15 H new ATOM 0 HG12 VAL A 17 17.807 38.824 5.385 1.00 42.15 H new ATOM 0 HG13 VAL A 17 18.212 39.605 6.932 1.00 42.15 H new ATOM 0 HG21 VAL A 17 15.365 39.416 8.105 1.00 21.21 H new ATOM 0 HG22 VAL A 17 16.364 40.887 8.179 1.00 21.21 H new ATOM 0 HG23 VAL A 17 14.739 40.950 7.456 1.00 21.21 H new ATOM 238 N ALA A 18 17.531 42.677 7.241 1.00 32.43 N ATOM 239 CA ALA A 18 18.584 43.343 7.997 1.00 15.45 C ATOM 240 C ALA A 18 19.442 42.333 8.752 1.00 54.42 C ATOM 241 O ALA A 18 18.980 41.245 9.097 1.00 51.52 O ATOM 242 CB ALA A 18 17.981 44.353 8.963 1.00 20.25 C ATOM 0 H ALA A 18 16.590 42.831 7.603 1.00 32.43 H new ATOM 0 HA ALA A 18 19.227 43.869 7.291 1.00 15.45 H new ATOM 0 HB1 ALA A 18 18.778 44.843 9.521 1.00 20.25 H new ATOM 0 HB2 ALA A 18 17.417 45.100 8.404 1.00 20.25 H new ATOM 0 HB3 ALA A 18 17.315 43.840 9.657 1.00 20.25 H new ATOM 248 N LYS A 19 20.694 42.700 9.005 1.00 75.33 N ATOM 249 CA LYS A 19 21.617 41.826 9.719 1.00 43.42 C ATOM 250 C LYS A 19 21.027 41.385 11.054 1.00 12.32 C ATOM 251 O LYS A 19 20.438 42.187 11.779 1.00 65.22 O ATOM 252 CB LYS A 19 22.951 42.540 9.950 1.00 41.42 C ATOM 253 CG LYS A 19 24.147 41.792 9.388 1.00 61.23 C ATOM 254 CD LYS A 19 25.265 41.679 10.410 1.00 21.35 C ATOM 255 CE LYS A 19 26.586 41.308 9.754 1.00 40.13 C ATOM 256 NZ LYS A 19 27.520 40.659 10.715 1.00 45.33 N ATOM 0 H LYS A 19 21.092 43.597 8.726 1.00 75.33 H new ATOM 0 HA LYS A 19 21.786 40.940 9.107 1.00 43.42 H new ATOM 0 HB2 LYS A 19 22.907 43.530 9.497 1.00 41.42 H new ATOM 0 HB3 LYS A 19 23.095 42.686 11.021 1.00 41.42 H new ATOM 0 HG2 LYS A 19 23.839 40.795 9.073 1.00 61.23 H new ATOM 0 HG3 LYS A 19 24.515 42.307 8.500 1.00 61.23 H new ATOM 0 HD2 LYS A 19 25.373 42.626 10.938 1.00 21.35 H new ATOM 0 HD3 LYS A 19 25.004 40.927 11.155 1.00 21.35 H new ATOM 0 HE2 LYS A 19 26.399 40.634 8.918 1.00 40.13 H new ATOM 0 HE3 LYS A 19 27.052 42.204 9.344 1.00 40.13 H new ATOM 0 HZ1 LYS A 19 28.493 40.727 10.354 1.00 45.33 H new ATOM 0 HZ2 LYS A 19 27.459 41.138 11.636 1.00 45.33 H new ATOM 0 HZ3 LYS A 19 27.262 39.658 10.828 1.00 45.33 H new ATOM 270 N GLY A 20 21.189 40.105 11.374 1.00 3.03 N ATOM 271 CA GLY A 20 20.668 39.581 12.623 1.00 72.51 C ATOM 272 C GLY A 20 19.165 39.385 12.587 1.00 1.20 C ATOM 273 O GLY A 20 18.421 40.108 13.252 1.00 24.41 O ATOM 0 H GLY A 20 21.672 39.422 10.791 1.00 3.03 H new ATOM 0 HA2 GLY A 20 21.150 38.629 12.843 1.00 72.51 H new ATOM 0 HA3 GLY A 20 20.923 40.263 13.434 1.00 72.51 H new ATOM 277 N LEU A 21 18.716 38.408 11.808 1.00 72.41 N ATOM 278 CA LEU A 21 17.291 38.120 11.686 1.00 33.12 C ATOM 279 C LEU A 21 17.057 36.640 11.399 1.00 55.44 C ATOM 280 O LEU A 21 17.930 35.956 10.866 1.00 3.54 O ATOM 281 CB LEU A 21 16.672 38.971 10.576 1.00 15.24 C ATOM 282 CG LEU A 21 15.546 39.914 11.003 1.00 51.24 C ATOM 283 CD1 LEU A 21 14.489 39.160 11.795 1.00 2.40 C ATOM 284 CD2 LEU A 21 16.101 41.073 11.818 1.00 20.11 C ATOM 0 H LEU A 21 19.318 37.801 11.251 1.00 72.41 H new ATOM 0 HA LEU A 21 16.813 38.367 12.634 1.00 33.12 H new ATOM 0 HB2 LEU A 21 17.462 39.565 10.117 1.00 15.24 H new ATOM 0 HB3 LEU A 21 16.287 38.303 9.805 1.00 15.24 H new ATOM 0 HG LEU A 21 15.077 40.319 10.106 1.00 51.24 H new ATOM 0 HD11 LEU A 21 13.696 39.847 12.090 1.00 2.40 H new ATOM 0 HD12 LEU A 21 14.069 38.366 11.178 1.00 2.40 H new ATOM 0 HD13 LEU A 21 14.943 38.726 12.686 1.00 2.40 H new ATOM 0 HD21 LEU A 21 15.286 41.734 12.113 1.00 20.11 H new ATOM 0 HD22 LEU A 21 16.596 40.687 12.709 1.00 20.11 H new ATOM 0 HD23 LEU A 21 16.819 41.630 11.216 1.00 20.11 H new ATOM 296 N GLN A 22 15.871 36.154 11.753 1.00 41.54 N ATOM 297 CA GLN A 22 15.522 34.756 11.531 1.00 41.22 C ATOM 298 C GLN A 22 14.241 34.638 10.711 1.00 45.31 C ATOM 299 O GLN A 22 13.283 35.378 10.931 1.00 71.21 O ATOM 300 CB GLN A 22 15.354 34.032 12.868 1.00 43.23 C ATOM 301 CG GLN A 22 15.090 32.542 12.724 1.00 52.23 C ATOM 302 CD GLN A 22 16.283 31.696 13.123 1.00 12.43 C ATOM 303 OE1 GLN A 22 16.704 30.808 12.383 1.00 62.45 O ATOM 304 NE2 GLN A 22 16.835 31.969 14.300 1.00 54.01 N ATOM 0 H GLN A 22 15.137 36.707 12.194 1.00 41.54 H new ATOM 0 HA GLN A 22 16.333 34.289 10.972 1.00 41.22 H new ATOM 0 HB2 GLN A 22 16.254 34.177 13.466 1.00 43.23 H new ATOM 0 HB3 GLN A 22 14.530 34.487 13.417 1.00 43.23 H new ATOM 0 HG2 GLN A 22 14.233 32.268 13.339 1.00 52.23 H new ATOM 0 HG3 GLN A 22 14.823 32.322 11.690 1.00 52.23 H new ATOM 0 HE21 GLN A 22 16.453 32.715 14.882 1.00 54.01 H new ATOM 0 HE22 GLN A 22 17.641 31.433 14.622 1.00 54.01 H new ATOM 313 N GLU A 23 14.234 33.704 9.765 1.00 11.02 N ATOM 314 CA GLU A 23 13.071 33.491 8.912 1.00 13.10 C ATOM 315 C GLU A 23 12.631 32.030 8.946 1.00 43.12 C ATOM 316 O GLU A 23 13.370 31.139 8.529 1.00 0.21 O ATOM 317 CB GLU A 23 13.383 33.908 7.473 1.00 14.13 C ATOM 318 CG GLU A 23 13.354 35.412 7.256 1.00 63.44 C ATOM 319 CD GLU A 23 11.945 35.972 7.236 1.00 24.12 C ATOM 320 OE1 GLU A 23 11.420 36.293 8.323 1.00 22.41 O ATOM 321 OE2 GLU A 23 11.368 36.089 6.135 1.00 1.33 O ATOM 0 H GLU A 23 15.020 33.084 9.570 1.00 11.02 H new ATOM 0 HA GLU A 23 12.256 34.107 9.292 1.00 13.10 H new ATOM 0 HB2 GLU A 23 14.367 33.529 7.199 1.00 14.13 H new ATOM 0 HB3 GLU A 23 12.663 33.439 6.803 1.00 14.13 H new ATOM 0 HG2 GLU A 23 13.924 35.900 8.047 1.00 63.44 H new ATOM 0 HG3 GLU A 23 13.848 35.649 6.314 1.00 63.44 H new ATOM 328 N ASN A 24 11.423 31.793 9.446 1.00 52.30 N ATOM 329 CA ASN A 24 10.885 30.441 9.536 1.00 75.22 C ATOM 330 C ASN A 24 10.363 29.972 8.181 1.00 64.42 C ATOM 331 O ASN A 24 9.761 30.743 7.434 1.00 12.23 O ATOM 332 CB ASN A 24 9.762 30.384 10.574 1.00 50.31 C ATOM 333 CG ASN A 24 8.839 29.200 10.363 1.00 31.43 C ATOM 334 OD1 ASN A 24 7.949 29.235 9.514 1.00 52.34 O ATOM 335 ND2 ASN A 24 9.048 28.142 11.139 1.00 54.01 N ATOM 0 H ASN A 24 10.798 32.520 9.795 1.00 52.30 H new ATOM 0 HA ASN A 24 11.691 29.776 9.846 1.00 75.22 H new ATOM 0 HB2 ASN A 24 10.196 30.329 11.572 1.00 50.31 H new ATOM 0 HB3 ASN A 24 9.182 31.306 10.529 1.00 50.31 H new ATOM 0 HD21 ASN A 24 8.458 27.315 11.044 1.00 54.01 H new ATOM 0 HD22 ASN A 24 9.798 28.157 11.830 1.00 54.01 H new ATOM 342 N PHE A 25 10.599 28.701 7.870 1.00 43.31 N ATOM 343 CA PHE A 25 10.154 28.129 6.605 1.00 64.42 C ATOM 344 C PHE A 25 9.417 26.813 6.833 1.00 33.51 C ATOM 345 O PHE A 25 9.674 26.103 7.806 1.00 2.52 O ATOM 346 CB PHE A 25 11.348 27.902 5.675 1.00 3.40 C ATOM 347 CG PHE A 25 10.974 27.281 4.360 1.00 45.24 C ATOM 348 CD1 PHE A 25 10.631 28.074 3.277 1.00 44.35 C ATOM 349 CD2 PHE A 25 10.966 25.904 4.206 1.00 13.23 C ATOM 350 CE1 PHE A 25 10.287 27.506 2.064 1.00 22.04 C ATOM 351 CE2 PHE A 25 10.623 25.330 2.997 1.00 51.33 C ATOM 352 CZ PHE A 25 10.282 26.132 1.925 1.00 40.02 C ATOM 0 H PHE A 25 11.096 28.048 8.477 1.00 43.31 H new ATOM 0 HA PHE A 25 9.467 28.835 6.138 1.00 64.42 H new ATOM 0 HB2 PHE A 25 11.841 28.857 5.490 1.00 3.40 H new ATOM 0 HB3 PHE A 25 12.073 27.261 6.177 1.00 3.40 H new ATOM 0 HD1 PHE A 25 10.632 29.149 3.381 1.00 44.35 H new ATOM 0 HD2 PHE A 25 11.231 25.272 5.041 1.00 13.23 H new ATOM 0 HE1 PHE A 25 10.023 28.136 1.227 1.00 22.04 H new ATOM 0 HE2 PHE A 25 10.621 24.255 2.890 1.00 51.33 H new ATOM 0 HZ PHE A 25 10.012 25.685 0.980 1.00 40.02 H new ATOM 362 N LYS A 26 8.497 26.492 5.929 1.00 10.23 N ATOM 363 CA LYS A 26 7.721 25.262 6.029 1.00 31.14 C ATOM 364 C LYS A 26 7.513 24.636 4.654 1.00 52.41 C ATOM 365 O LYS A 26 7.396 25.342 3.652 1.00 24.32 O ATOM 366 CB LYS A 26 6.366 25.541 6.685 1.00 64.13 C ATOM 367 CG LYS A 26 5.938 24.472 7.675 1.00 60.11 C ATOM 368 CD LYS A 26 6.096 24.946 9.110 1.00 31.40 C ATOM 369 CE LYS A 26 5.234 24.132 10.063 1.00 12.44 C ATOM 370 NZ LYS A 26 5.272 24.678 11.449 1.00 44.05 N ATOM 0 H LYS A 26 8.271 27.068 5.118 1.00 10.23 H new ATOM 0 HA LYS A 26 8.279 24.559 6.648 1.00 31.14 H new ATOM 0 HB2 LYS A 26 6.411 26.502 7.198 1.00 64.13 H new ATOM 0 HB3 LYS A 26 5.607 25.629 5.908 1.00 64.13 H new ATOM 0 HG2 LYS A 26 4.898 24.201 7.493 1.00 60.11 H new ATOM 0 HG3 LYS A 26 6.533 23.572 7.520 1.00 60.11 H new ATOM 0 HD2 LYS A 26 7.142 24.868 9.407 1.00 31.40 H new ATOM 0 HD3 LYS A 26 5.822 25.999 9.179 1.00 31.40 H new ATOM 0 HE2 LYS A 26 4.205 24.123 9.704 1.00 12.44 H new ATOM 0 HE3 LYS A 26 5.578 23.098 10.070 1.00 12.44 H new ATOM 0 HZ1 LYS A 26 4.672 24.096 12.068 1.00 44.05 H new ATOM 0 HZ2 LYS A 26 6.250 24.663 11.801 1.00 44.05 H new ATOM 0 HZ3 LYS A 26 4.920 25.657 11.446 1.00 44.05 H new ATOM 384 N ALA A 27 7.466 23.309 4.614 1.00 72.25 N ATOM 385 CA ALA A 27 7.268 22.589 3.362 1.00 50.25 C ATOM 386 C ALA A 27 6.306 21.421 3.546 1.00 74.20 C ATOM 387 O ALA A 27 6.409 20.664 4.512 1.00 70.53 O ATOM 388 CB ALA A 27 8.602 22.096 2.820 1.00 53.43 C ATOM 0 H ALA A 27 7.562 22.710 5.434 1.00 72.25 H new ATOM 0 HA ALA A 27 6.827 23.278 2.641 1.00 50.25 H new ATOM 0 HB1 ALA A 27 8.439 21.560 1.885 1.00 53.43 H new ATOM 0 HB2 ALA A 27 9.259 22.947 2.641 1.00 53.43 H new ATOM 0 HB3 ALA A 27 9.065 21.427 3.546 1.00 53.43 H new ATOM 394 N THR A 28 5.368 21.279 2.614 1.00 11.41 N ATOM 395 CA THR A 28 4.386 20.205 2.675 1.00 33.51 C ATOM 396 C THR A 28 4.542 19.249 1.498 1.00 44.14 C ATOM 397 O THR A 28 4.533 19.667 0.341 1.00 50.43 O ATOM 398 CB THR A 28 2.948 20.757 2.685 1.00 10.22 C ATOM 399 OG1 THR A 28 2.963 22.157 2.987 1.00 63.13 O ATOM 400 CG2 THR A 28 2.093 20.023 3.707 1.00 61.42 C ATOM 0 H THR A 28 5.269 21.896 1.808 1.00 11.41 H new ATOM 0 HA THR A 28 4.567 19.666 3.605 1.00 33.51 H new ATOM 0 HB THR A 28 2.517 20.603 1.696 1.00 10.22 H new ATOM 0 HG1 THR A 28 2.045 22.501 2.990 1.00 63.13 H new ATOM 0 HG21 THR A 28 1.082 20.430 3.696 1.00 61.42 H new ATOM 0 HG22 THR A 28 2.060 18.962 3.459 1.00 61.42 H new ATOM 0 HG23 THR A 28 2.524 20.150 4.700 1.00 61.42 H new ATOM 408 N GLY A 29 4.686 17.962 1.800 1.00 10.33 N ATOM 409 CA GLY A 29 4.842 16.967 0.755 1.00 1.44 C ATOM 410 C GLY A 29 3.517 16.382 0.310 1.00 31.40 C ATOM 411 O GLY A 29 2.621 16.166 1.126 1.00 33.44 O ATOM 0 H GLY A 29 4.697 17.591 2.750 1.00 10.33 H new ATOM 0 HA2 GLY A 29 5.342 17.419 -0.101 1.00 1.44 H new ATOM 0 HA3 GLY A 29 5.487 16.165 1.114 1.00 1.44 H new ATOM 415 N ILE A 30 3.391 16.125 -0.988 1.00 4.43 N ATOM 416 CA ILE A 30 2.166 15.562 -1.539 1.00 73.25 C ATOM 417 C ILE A 30 2.407 14.165 -2.102 1.00 44.21 C ATOM 418 O ILE A 30 3.513 13.842 -2.538 1.00 13.42 O ATOM 419 CB ILE A 30 1.585 16.457 -2.650 1.00 34.21 C ATOM 420 CG1 ILE A 30 1.562 17.918 -2.198 1.00 1.34 C ATOM 421 CG2 ILE A 30 0.186 15.992 -3.027 1.00 70.03 C ATOM 422 CD1 ILE A 30 0.650 18.172 -1.018 1.00 33.20 C ATOM 0 H ILE A 30 4.123 16.298 -1.677 1.00 4.43 H new ATOM 0 HA ILE A 30 1.450 15.502 -0.719 1.00 73.25 H new ATOM 0 HB ILE A 30 2.223 16.378 -3.530 1.00 34.21 H new ATOM 0 HG12 ILE A 30 2.575 18.225 -1.937 1.00 1.34 H new ATOM 0 HG13 ILE A 30 1.245 18.543 -3.033 1.00 1.34 H new ATOM 0 HG21 ILE A 30 -0.211 16.634 -3.813 1.00 70.03 H new ATOM 0 HG22 ILE A 30 0.229 14.964 -3.385 1.00 70.03 H new ATOM 0 HG23 ILE A 30 -0.463 16.045 -2.153 1.00 70.03 H new ATOM 0 HD11 ILE A 30 0.684 19.229 -0.753 1.00 33.20 H new ATOM 0 HD12 ILE A 30 -0.371 17.897 -1.282 1.00 33.20 H new ATOM 0 HD13 ILE A 30 0.979 17.574 -0.168 1.00 33.20 H new ATOM 434 N PHE A 31 1.365 13.340 -2.091 1.00 44.53 N ATOM 435 CA PHE A 31 1.464 11.978 -2.601 1.00 73.14 C ATOM 436 C PHE A 31 0.410 11.722 -3.675 1.00 33.43 C ATOM 437 O PHE A 31 -0.616 12.401 -3.729 1.00 72.33 O ATOM 438 CB PHE A 31 1.302 10.971 -1.461 1.00 33.21 C ATOM 439 CG PHE A 31 2.446 10.979 -0.487 1.00 74.55 C ATOM 440 CD1 PHE A 31 3.755 11.025 -0.938 1.00 2.54 C ATOM 441 CD2 PHE A 31 2.211 10.939 0.878 1.00 43.45 C ATOM 442 CE1 PHE A 31 4.809 11.032 -0.044 1.00 25.11 C ATOM 443 CE2 PHE A 31 3.262 10.946 1.776 1.00 14.11 C ATOM 444 CZ PHE A 31 4.562 10.993 1.315 1.00 44.45 C ATOM 0 H PHE A 31 0.443 13.591 -1.735 1.00 44.53 H new ATOM 0 HA PHE A 31 2.450 11.854 -3.048 1.00 73.14 H new ATOM 0 HB2 PHE A 31 0.378 11.186 -0.925 1.00 33.21 H new ATOM 0 HB3 PHE A 31 1.201 9.971 -1.882 1.00 33.21 H new ATOM 0 HD1 PHE A 31 3.954 11.056 -1.999 1.00 2.54 H new ATOM 0 HD2 PHE A 31 1.196 10.902 1.244 1.00 43.45 H new ATOM 0 HE1 PHE A 31 5.825 11.068 -0.407 1.00 25.11 H new ATOM 0 HE2 PHE A 31 3.066 10.915 2.838 1.00 14.11 H new ATOM 0 HZ PHE A 31 5.384 10.999 2.015 1.00 44.45 H new ATOM 454 N THR A 32 0.670 10.736 -4.528 1.00 43.34 N ATOM 455 CA THR A 32 -0.253 10.390 -5.601 1.00 53.44 C ATOM 456 C THR A 32 -1.535 9.779 -5.048 1.00 32.14 C ATOM 457 O THR A 32 -2.527 9.639 -5.763 1.00 51.23 O ATOM 458 CB THR A 32 0.385 9.402 -6.596 1.00 5.53 C ATOM 459 OG1 THR A 32 1.746 9.772 -6.847 1.00 71.44 O ATOM 460 CG2 THR A 32 -0.389 9.376 -7.905 1.00 3.00 C ATOM 0 H THR A 32 1.513 10.163 -4.496 1.00 43.34 H new ATOM 0 HA THR A 32 -0.491 11.317 -6.123 1.00 53.44 H new ATOM 0 HB THR A 32 0.355 8.405 -6.156 1.00 5.53 H new ATOM 0 HG1 THR A 32 2.287 9.589 -6.050 1.00 71.44 H new ATOM 0 HG21 THR A 32 0.080 8.671 -8.591 1.00 3.00 H new ATOM 0 HG22 THR A 32 -1.417 9.067 -7.714 1.00 3.00 H new ATOM 0 HG23 THR A 32 -0.386 10.371 -8.349 1.00 3.00 H new ATOM 468 N ASP A 33 -1.508 9.417 -3.770 1.00 33.31 N ATOM 469 CA ASP A 33 -2.670 8.821 -3.119 1.00 42.43 C ATOM 470 C ASP A 33 -3.588 9.900 -2.554 1.00 13.31 C ATOM 471 O ASP A 33 -4.454 9.621 -1.726 1.00 20.41 O ATOM 472 CB ASP A 33 -2.226 7.875 -2.003 1.00 13.15 C ATOM 473 CG ASP A 33 -3.309 6.886 -1.618 1.00 1.02 C ATOM 474 OD1 ASP A 33 -4.379 6.898 -2.261 1.00 74.52 O ATOM 475 OD2 ASP A 33 -3.085 6.100 -0.674 1.00 34.20 O ATOM 0 H ASP A 33 -0.695 9.526 -3.164 1.00 33.31 H new ATOM 0 HA ASP A 33 -3.224 8.253 -3.866 1.00 42.43 H new ATOM 0 HB2 ASP A 33 -1.338 7.330 -2.324 1.00 13.15 H new ATOM 0 HB3 ASP A 33 -1.943 8.459 -1.127 1.00 13.15 H new ATOM 480 N ASN A 34 -3.392 11.134 -3.007 1.00 0.32 N ATOM 481 CA ASN A 34 -4.202 12.256 -2.545 1.00 23.23 C ATOM 482 C ASN A 34 -3.986 12.505 -1.055 1.00 51.21 C ATOM 483 O ASN A 34 -4.759 13.219 -0.417 1.00 0.44 O ATOM 484 CB ASN A 34 -5.683 11.990 -2.820 1.00 31.34 C ATOM 485 CG ASN A 34 -5.901 11.196 -4.093 1.00 54.24 C ATOM 486 OD1 ASN A 34 -5.534 11.637 -5.183 1.00 34.32 O ATOM 487 ND2 ASN A 34 -6.502 10.019 -3.961 1.00 50.25 N ATOM 0 H ASN A 34 -2.680 11.383 -3.693 1.00 0.32 H new ATOM 0 HA ASN A 34 -3.892 13.146 -3.093 1.00 23.23 H new ATOM 0 HB2 ASN A 34 -6.114 11.448 -1.979 1.00 31.34 H new ATOM 0 HB3 ASN A 34 -6.213 12.940 -2.892 1.00 31.34 H new ATOM 0 HD21 ASN A 34 -6.677 9.440 -4.783 1.00 50.25 H new ATOM 0 HD22 ASN A 34 -6.789 9.694 -3.038 1.00 50.25 H new ATOM 494 N SER A 35 -2.930 11.912 -0.508 1.00 70.31 N ATOM 495 CA SER A 35 -2.614 12.066 0.907 1.00 41.50 C ATOM 496 C SER A 35 -1.404 12.976 1.097 1.00 40.20 C ATOM 497 O SER A 35 -0.277 12.604 0.774 1.00 60.32 O ATOM 498 CB SER A 35 -2.345 10.702 1.543 1.00 21.55 C ATOM 499 OG SER A 35 -3.416 10.311 2.385 1.00 74.14 O ATOM 0 H SER A 35 -2.278 11.320 -1.023 1.00 70.31 H new ATOM 0 HA SER A 35 -3.473 12.524 1.398 1.00 41.50 H new ATOM 0 HB2 SER A 35 -2.201 9.955 0.762 1.00 21.55 H new ATOM 0 HB3 SER A 35 -1.421 10.742 2.120 1.00 21.55 H new ATOM 0 HG SER A 35 -3.220 9.435 2.778 1.00 74.14 H new ATOM 505 N ASN A 36 -1.647 14.172 1.624 1.00 75.21 N ATOM 506 CA ASN A 36 -0.579 15.136 1.857 1.00 3.40 C ATOM 507 C ASN A 36 -0.019 14.997 3.269 1.00 1.35 C ATOM 508 O ASN A 36 -0.761 14.759 4.222 1.00 75.12 O ATOM 509 CB ASN A 36 -1.092 16.561 1.638 1.00 73.10 C ATOM 510 CG ASN A 36 -1.748 16.737 0.282 1.00 61.01 C ATOM 511 OD1 ASN A 36 -1.732 15.830 -0.550 1.00 72.31 O ATOM 512 ND2 ASN A 36 -2.329 17.909 0.053 1.00 5.23 N ATOM 0 H ASN A 36 -2.575 14.496 1.898 1.00 75.21 H new ATOM 0 HA ASN A 36 0.221 14.932 1.146 1.00 3.40 H new ATOM 0 HB2 ASN A 36 -1.809 16.811 2.420 1.00 73.10 H new ATOM 0 HB3 ASN A 36 -0.262 17.261 1.731 1.00 73.10 H new ATOM 0 HD21 ASN A 36 -2.786 18.085 -0.842 1.00 5.23 H new ATOM 0 HD22 ASN A 36 -2.318 18.633 0.772 1.00 5.23 H new ATOM 519 N SER A 37 1.295 15.148 3.397 1.00 45.53 N ATOM 520 CA SER A 37 1.956 15.037 4.692 1.00 31.30 C ATOM 521 C SER A 37 2.966 16.163 4.886 1.00 44.24 C ATOM 522 O SER A 37 3.584 16.630 3.928 1.00 74.30 O ATOM 523 CB SER A 37 2.656 13.682 4.816 1.00 35.22 C ATOM 524 OG SER A 37 1.719 12.619 4.782 1.00 12.11 O ATOM 0 H SER A 37 1.924 15.348 2.619 1.00 45.53 H new ATOM 0 HA SER A 37 1.195 15.118 5.468 1.00 31.30 H new ATOM 0 HB2 SER A 37 3.374 13.564 4.004 1.00 35.22 H new ATOM 0 HB3 SER A 37 3.220 13.644 5.748 1.00 35.22 H new ATOM 0 HG SER A 37 2.191 11.764 4.861 1.00 12.11 H new ATOM 530 N ASP A 38 3.129 16.595 6.131 1.00 4.41 N ATOM 531 CA ASP A 38 4.065 17.667 6.452 1.00 24.45 C ATOM 532 C ASP A 38 5.475 17.116 6.648 1.00 13.32 C ATOM 533 O ASP A 38 5.667 16.100 7.317 1.00 44.42 O ATOM 534 CB ASP A 38 3.614 18.406 7.713 1.00 52.44 C ATOM 535 CG ASP A 38 3.627 17.519 8.941 1.00 25.54 C ATOM 536 OD1 ASP A 38 3.547 16.282 8.782 1.00 55.43 O ATOM 537 OD2 ASP A 38 3.720 18.060 10.063 1.00 70.32 O ATOM 0 H ASP A 38 2.626 16.220 6.935 1.00 4.41 H new ATOM 0 HA ASP A 38 4.080 18.366 5.616 1.00 24.45 H new ATOM 0 HB2 ASP A 38 4.266 19.263 7.881 1.00 52.44 H new ATOM 0 HB3 ASP A 38 2.608 18.796 7.561 1.00 52.44 H new ATOM 542 N ILE A 39 6.455 17.793 6.060 1.00 24.20 N ATOM 543 CA ILE A 39 7.846 17.371 6.170 1.00 4.40 C ATOM 544 C ILE A 39 7.957 15.852 6.239 1.00 74.01 C ATOM 545 O ILE A 39 8.673 15.307 7.080 1.00 51.23 O ATOM 546 CB ILE A 39 8.523 17.981 7.412 1.00 33.33 C ATOM 547 CG1 ILE A 39 7.820 17.507 8.686 1.00 11.43 C ATOM 548 CG2 ILE A 39 8.513 19.500 7.329 1.00 63.22 C ATOM 549 CD1 ILE A 39 6.688 18.411 9.123 1.00 31.41 C ATOM 0 H ILE A 39 6.312 18.635 5.503 1.00 24.20 H new ATOM 0 HA ILE A 39 8.355 17.729 5.275 1.00 4.40 H new ATOM 0 HB ILE A 39 9.560 17.646 7.444 1.00 33.33 H new ATOM 0 HG12 ILE A 39 7.430 16.502 8.524 1.00 11.43 H new ATOM 0 HG13 ILE A 39 8.552 17.439 9.491 1.00 11.43 H new ATOM 0 HG21 ILE A 39 8.995 19.916 8.214 1.00 63.22 H new ATOM 0 HG22 ILE A 39 9.053 19.819 6.438 1.00 63.22 H new ATOM 0 HG23 ILE A 39 7.484 19.855 7.276 1.00 63.22 H new ATOM 0 HD11 ILE A 39 6.236 18.014 10.032 1.00 31.41 H new ATOM 0 HD12 ILE A 39 7.075 19.411 9.317 1.00 31.41 H new ATOM 0 HD13 ILE A 39 5.936 18.460 8.335 1.00 31.41 H new ATOM 561 N THR A 40 7.243 15.171 5.347 1.00 2.21 N ATOM 562 CA THR A 40 7.261 13.715 5.306 1.00 71.54 C ATOM 563 C THR A 40 8.637 13.192 4.909 1.00 1.41 C ATOM 564 O THR A 40 9.131 12.221 5.481 1.00 23.31 O ATOM 565 CB THR A 40 6.213 13.168 4.318 1.00 71.11 C ATOM 566 OG1 THR A 40 6.286 11.739 4.268 1.00 74.33 O ATOM 567 CG2 THR A 40 6.431 13.741 2.926 1.00 52.03 C ATOM 0 H THR A 40 6.645 15.605 4.644 1.00 2.21 H new ATOM 0 HA THR A 40 7.020 13.368 6.311 1.00 71.54 H new ATOM 0 HB THR A 40 5.225 13.469 4.667 1.00 71.11 H new ATOM 0 HG1 THR A 40 5.400 11.373 4.065 1.00 74.33 H new ATOM 0 HG21 THR A 40 5.679 13.340 2.246 1.00 52.03 H new ATOM 0 HG22 THR A 40 6.346 14.827 2.962 1.00 52.03 H new ATOM 0 HG23 THR A 40 7.424 13.467 2.571 1.00 52.03 H new ATOM 575 N ASP A 41 9.251 13.844 3.928 1.00 65.43 N ATOM 576 CA ASP A 41 10.573 13.446 3.456 1.00 73.22 C ATOM 577 C ASP A 41 11.664 14.259 4.145 1.00 14.40 C ATOM 578 O ASP A 41 12.840 14.153 3.801 1.00 44.42 O ATOM 579 CB ASP A 41 10.670 13.620 1.939 1.00 1.35 C ATOM 580 CG ASP A 41 10.341 12.345 1.188 1.00 44.43 C ATOM 581 OD1 ASP A 41 11.231 11.476 1.076 1.00 43.15 O ATOM 582 OD2 ASP A 41 9.194 12.217 0.712 1.00 21.53 O ATOM 0 H ASP A 41 8.855 14.650 3.444 1.00 65.43 H new ATOM 0 HA ASP A 41 10.719 12.394 3.703 1.00 73.22 H new ATOM 0 HB2 ASP A 41 9.989 14.410 1.623 1.00 1.35 H new ATOM 0 HB3 ASP A 41 11.678 13.943 1.677 1.00 1.35 H new ATOM 587 N GLN A 42 11.264 15.071 5.118 1.00 14.43 N ATOM 588 CA GLN A 42 12.208 15.904 5.854 1.00 14.20 C ATOM 589 C GLN A 42 12.881 16.912 4.928 1.00 13.23 C ATOM 590 O GLN A 42 14.019 16.716 4.503 1.00 5.43 O ATOM 591 CB GLN A 42 13.265 15.034 6.535 1.00 62.32 C ATOM 592 CG GLN A 42 13.001 14.801 8.014 1.00 65.23 C ATOM 593 CD GLN A 42 11.561 14.422 8.297 1.00 1.41 C ATOM 594 OE1 GLN A 42 11.131 13.307 8.003 1.00 73.14 O ATOM 595 NE2 GLN A 42 10.807 15.352 8.872 1.00 32.32 N ATOM 0 H GLN A 42 10.293 15.170 5.415 1.00 14.43 H new ATOM 0 HA GLN A 42 11.653 16.452 6.616 1.00 14.20 H new ATOM 0 HB2 GLN A 42 13.313 14.071 6.027 1.00 62.32 H new ATOM 0 HB3 GLN A 42 14.241 15.505 6.419 1.00 62.32 H new ATOM 0 HG2 GLN A 42 13.659 14.011 8.376 1.00 65.23 H new ATOM 0 HG3 GLN A 42 13.251 15.704 8.571 1.00 65.23 H new ATOM 0 HE21 GLN A 42 11.205 16.263 9.098 1.00 32.32 H new ATOM 0 HE22 GLN A 42 9.830 15.155 9.087 1.00 32.32 H new ATOM 604 N VAL A 43 12.169 17.991 4.619 1.00 50.41 N ATOM 605 CA VAL A 43 12.698 19.031 3.744 1.00 73.12 C ATOM 606 C VAL A 43 14.073 19.494 4.210 1.00 65.04 C ATOM 607 O VAL A 43 14.201 20.167 5.233 1.00 24.21 O ATOM 608 CB VAL A 43 11.753 20.246 3.681 1.00 21.22 C ATOM 609 CG1 VAL A 43 11.421 20.737 5.082 1.00 72.20 C ATOM 610 CG2 VAL A 43 12.372 21.359 2.850 1.00 4.31 C ATOM 0 H VAL A 43 11.225 18.168 4.961 1.00 50.41 H new ATOM 0 HA VAL A 43 12.783 18.594 2.749 1.00 73.12 H new ATOM 0 HB VAL A 43 10.824 19.938 3.200 1.00 21.22 H new ATOM 0 HG11 VAL A 43 10.753 21.596 5.018 1.00 72.20 H new ATOM 0 HG12 VAL A 43 10.933 19.939 5.641 1.00 72.20 H new ATOM 0 HG13 VAL A 43 12.339 21.029 5.592 1.00 72.20 H new ATOM 0 HG21 VAL A 43 11.691 22.209 2.816 1.00 4.31 H new ATOM 0 HG22 VAL A 43 13.316 21.667 3.300 1.00 4.31 H new ATOM 0 HG23 VAL A 43 12.554 20.999 1.837 1.00 4.31 H new ATOM 620 N THR A 44 15.103 19.130 3.451 1.00 72.20 N ATOM 621 CA THR A 44 16.470 19.507 3.786 1.00 61.03 C ATOM 622 C THR A 44 16.896 20.760 3.029 1.00 14.12 C ATOM 623 O THR A 44 17.023 20.744 1.805 1.00 54.12 O ATOM 624 CB THR A 44 17.460 18.370 3.470 1.00 31.30 C ATOM 625 OG1 THR A 44 16.942 17.123 3.947 1.00 31.11 O ATOM 626 CG2 THR A 44 18.815 18.639 4.107 1.00 33.14 C ATOM 0 H THR A 44 15.015 18.574 2.600 1.00 72.20 H new ATOM 0 HA THR A 44 16.488 19.708 4.857 1.00 61.03 H new ATOM 0 HB THR A 44 17.588 18.320 2.389 1.00 31.30 H new ATOM 0 HG1 THR A 44 17.576 16.405 3.741 1.00 31.11 H new ATOM 0 HG21 THR A 44 19.497 17.822 3.870 1.00 33.14 H new ATOM 0 HG22 THR A 44 19.220 19.574 3.720 1.00 33.14 H new ATOM 0 HG23 THR A 44 18.700 18.713 5.188 1.00 33.14 H new ATOM 634 N TRP A 45 17.115 21.844 3.765 1.00 20.41 N ATOM 635 CA TRP A 45 17.527 23.106 3.162 1.00 4.14 C ATOM 636 C TRP A 45 18.678 23.732 3.943 1.00 13.02 C ATOM 637 O TRP A 45 18.781 23.561 5.158 1.00 63.31 O ATOM 638 CB TRP A 45 16.347 24.077 3.104 1.00 73.31 C ATOM 639 CG TRP A 45 15.741 24.357 4.446 1.00 44.30 C ATOM 640 CD1 TRP A 45 15.105 23.465 5.261 1.00 40.02 C ATOM 641 CD2 TRP A 45 15.714 25.616 5.127 1.00 3.25 C ATOM 642 NE1 TRP A 45 14.684 24.093 6.408 1.00 51.41 N ATOM 643 CE2 TRP A 45 15.046 25.413 6.351 1.00 41.21 C ATOM 644 CE3 TRP A 45 16.191 26.894 4.824 1.00 0.35 C ATOM 645 CZ2 TRP A 45 14.843 26.442 7.267 1.00 23.54 C ATOM 646 CZ3 TRP A 45 15.989 27.914 5.735 1.00 34.10 C ATOM 647 CH2 TRP A 45 15.320 27.683 6.945 1.00 64.22 C ATOM 0 H TRP A 45 17.014 21.874 4.780 1.00 20.41 H new ATOM 0 HA TRP A 45 17.869 22.901 2.148 1.00 4.14 H new ATOM 0 HB2 TRP A 45 16.680 25.016 2.661 1.00 73.31 H new ATOM 0 HB3 TRP A 45 15.581 23.667 2.446 1.00 73.31 H new ATOM 0 HD1 TRP A 45 14.955 22.419 5.037 1.00 40.02 H new ATOM 0 HE1 TRP A 45 14.183 23.649 7.177 1.00 51.41 H new ATOM 0 HE3 TRP A 45 16.708 27.082 3.895 1.00 0.35 H new ATOM 0 HZ2 TRP A 45 14.327 26.266 8.199 1.00 23.54 H new ATOM 0 HZ3 TRP A 45 16.353 28.906 5.511 1.00 34.10 H new ATOM 0 HH2 TRP A 45 15.178 28.501 7.636 1.00 64.22 H new ATOM 658 N ASP A 46 19.539 24.457 3.239 1.00 43.51 N ATOM 659 CA ASP A 46 20.682 25.110 3.867 1.00 1.32 C ATOM 660 C ASP A 46 21.083 26.364 3.096 1.00 1.14 C ATOM 661 O ASP A 46 20.949 26.423 1.874 1.00 14.02 O ATOM 662 CB ASP A 46 21.866 24.146 3.948 1.00 23.25 C ATOM 663 CG ASP A 46 21.503 22.839 4.626 1.00 62.25 C ATOM 664 OD1 ASP A 46 20.949 21.952 3.943 1.00 24.34 O ATOM 665 OD2 ASP A 46 21.772 22.703 5.838 1.00 41.43 O ATOM 0 H ASP A 46 19.468 24.608 2.233 1.00 43.51 H new ATOM 0 HA ASP A 46 20.392 25.403 4.876 1.00 1.32 H new ATOM 0 HB2 ASP A 46 22.233 23.941 2.942 1.00 23.25 H new ATOM 0 HB3 ASP A 46 22.681 24.621 4.494 1.00 23.25 H new ATOM 670 N SER A 47 21.575 27.365 3.819 1.00 3.03 N ATOM 671 CA SER A 47 21.991 28.620 3.204 1.00 23.11 C ATOM 672 C SER A 47 23.485 28.603 2.893 1.00 52.25 C ATOM 673 O SER A 47 24.268 27.954 3.586 1.00 14.11 O ATOM 674 CB SER A 47 21.664 29.797 4.125 1.00 41.00 C ATOM 675 OG SER A 47 22.035 31.029 3.530 1.00 73.52 O ATOM 0 H SER A 47 21.695 27.331 4.831 1.00 3.03 H new ATOM 0 HA SER A 47 21.444 28.737 2.269 1.00 23.11 H new ATOM 0 HB2 SER A 47 20.597 29.804 4.347 1.00 41.00 H new ATOM 0 HB3 SER A 47 22.186 29.676 5.074 1.00 41.00 H new ATOM 0 HG SER A 47 21.437 31.738 3.846 1.00 73.52 H new ATOM 681 N SER A 48 23.872 29.322 1.844 1.00 41.13 N ATOM 682 CA SER A 48 25.271 29.388 1.436 1.00 33.25 C ATOM 683 C SER A 48 26.095 30.177 2.449 1.00 20.44 C ATOM 684 O SER A 48 27.286 29.924 2.628 1.00 53.31 O ATOM 685 CB SER A 48 25.391 30.030 0.053 1.00 24.11 C ATOM 686 OG SER A 48 26.617 29.679 -0.567 1.00 13.44 O ATOM 0 H SER A 48 23.237 29.867 1.261 1.00 41.13 H new ATOM 0 HA SER A 48 25.659 28.371 1.391 1.00 33.25 H new ATOM 0 HB2 SER A 48 24.558 29.710 -0.573 1.00 24.11 H new ATOM 0 HB3 SER A 48 25.323 31.114 0.145 1.00 24.11 H new ATOM 0 HG SER A 48 26.669 30.100 -1.450 1.00 13.44 H new ATOM 692 N ASN A 49 25.451 31.133 3.110 1.00 1.31 N ATOM 693 CA ASN A 49 26.124 31.961 4.105 1.00 32.52 C ATOM 694 C ASN A 49 27.246 32.774 3.468 1.00 52.34 C ATOM 695 O ASN A 49 27.739 32.437 2.391 1.00 74.24 O ATOM 696 CB ASN A 49 26.687 31.087 5.228 1.00 13.34 C ATOM 697 CG ASN A 49 27.400 31.901 6.291 1.00 63.12 C ATOM 698 OD1 ASN A 49 26.963 32.995 6.649 1.00 61.42 O ATOM 699 ND2 ASN A 49 28.505 31.369 6.800 1.00 23.12 N ATOM 0 H ASN A 49 24.464 31.354 2.975 1.00 1.31 H new ATOM 0 HA ASN A 49 25.391 32.652 4.522 1.00 32.52 H new ATOM 0 HB2 ASN A 49 25.875 30.524 5.689 1.00 13.34 H new ATOM 0 HB3 ASN A 49 27.380 30.359 4.806 1.00 13.34 H new ATOM 0 HD21 ASN A 49 29.028 31.870 7.518 1.00 23.12 H new ATOM 0 HD22 ASN A 49 28.830 30.459 6.473 1.00 23.12 H new ATOM 706 N THR A 50 27.646 33.849 4.140 1.00 22.24 N ATOM 707 CA THR A 50 28.709 34.711 3.640 1.00 2.44 C ATOM 708 C THR A 50 29.690 35.074 4.749 1.00 1.43 C ATOM 709 O THR A 50 30.901 35.115 4.531 1.00 21.33 O ATOM 710 CB THR A 50 28.141 36.006 3.029 1.00 42.11 C ATOM 711 OG1 THR A 50 26.848 36.281 3.579 1.00 42.41 O ATOM 712 CG2 THR A 50 28.040 35.891 1.515 1.00 21.34 C ATOM 0 H THR A 50 27.249 34.143 5.032 1.00 22.24 H new ATOM 0 HA THR A 50 29.232 34.151 2.865 1.00 2.44 H new ATOM 0 HB THR A 50 28.820 36.824 3.271 1.00 42.11 H new ATOM 0 HG1 THR A 50 26.707 37.250 3.615 1.00 42.41 H new ATOM 0 HG21 THR A 50 27.636 36.817 1.106 1.00 21.34 H new ATOM 0 HG22 THR A 50 29.030 35.711 1.097 1.00 21.34 H new ATOM 0 HG23 THR A 50 27.381 35.062 1.256 1.00 21.34 H new ATOM 720 N ASP A 51 29.160 35.337 5.939 1.00 42.02 N ATOM 721 CA ASP A 51 29.990 35.695 7.083 1.00 11.13 C ATOM 722 C ASP A 51 29.667 34.814 8.286 1.00 71.43 C ATOM 723 O ASP A 51 30.536 34.113 8.806 1.00 43.44 O ATOM 724 CB ASP A 51 29.788 37.167 7.446 1.00 44.32 C ATOM 725 CG ASP A 51 31.090 37.860 7.799 1.00 32.13 C ATOM 726 OD1 ASP A 51 31.779 37.388 8.727 1.00 4.22 O ATOM 727 OD2 ASP A 51 31.418 38.874 7.149 1.00 43.24 O ATOM 0 H ASP A 51 28.160 35.309 6.136 1.00 42.02 H new ATOM 0 HA ASP A 51 31.033 35.536 6.808 1.00 11.13 H new ATOM 0 HB2 ASP A 51 29.320 37.684 6.608 1.00 44.32 H new ATOM 0 HB3 ASP A 51 29.101 37.239 8.289 1.00 44.32 H new ATOM 732 N ILE A 52 28.413 34.854 8.723 1.00 53.14 N ATOM 733 CA ILE A 52 27.976 34.059 9.863 1.00 13.04 C ATOM 734 C ILE A 52 26.489 33.734 9.770 1.00 72.24 C ATOM 735 O ILE A 52 25.640 34.618 9.889 1.00 52.32 O ATOM 736 CB ILE A 52 28.248 34.786 11.194 1.00 52.14 C ATOM 737 CG1 ILE A 52 27.653 33.997 12.362 1.00 5.01 C ATOM 738 CG2 ILE A 52 27.676 36.195 11.154 1.00 53.34 C ATOM 739 CD1 ILE A 52 28.166 32.577 12.455 1.00 73.23 C ATOM 0 H ILE A 52 27.682 35.429 8.304 1.00 53.14 H new ATOM 0 HA ILE A 52 28.550 33.133 9.840 1.00 13.04 H new ATOM 0 HB ILE A 52 29.326 34.856 11.339 1.00 52.14 H new ATOM 0 HG12 ILE A 52 27.877 34.517 13.293 1.00 5.01 H new ATOM 0 HG13 ILE A 52 26.568 33.977 12.261 1.00 5.01 H new ATOM 0 HG21 ILE A 52 27.876 36.696 12.101 1.00 53.34 H new ATOM 0 HG22 ILE A 52 28.142 36.754 10.342 1.00 53.34 H new ATOM 0 HG23 ILE A 52 26.600 36.146 10.990 1.00 53.34 H new ATOM 0 HD11 ILE A 52 27.702 32.077 13.305 1.00 73.23 H new ATOM 0 HD12 ILE A 52 27.918 32.040 11.539 1.00 73.23 H new ATOM 0 HD13 ILE A 52 29.248 32.589 12.587 1.00 73.23 H new ATOM 751 N LEU A 53 26.180 32.459 9.557 1.00 0.41 N ATOM 752 CA LEU A 53 24.794 32.016 9.449 1.00 25.32 C ATOM 753 C LEU A 53 24.630 30.604 10.003 1.00 62.11 C ATOM 754 O LEU A 53 25.516 29.762 9.855 1.00 34.42 O ATOM 755 CB LEU A 53 24.336 32.060 7.990 1.00 2.25 C ATOM 756 CG LEU A 53 23.153 31.161 7.631 1.00 60.21 C ATOM 757 CD1 LEU A 53 22.319 31.792 6.526 1.00 23.44 C ATOM 758 CD2 LEU A 53 23.640 29.781 7.212 1.00 13.14 C ATOM 0 H LEU A 53 26.870 31.715 9.456 1.00 0.41 H new ATOM 0 HA LEU A 53 24.175 32.692 10.038 1.00 25.32 H new ATOM 0 HB2 LEU A 53 24.073 33.089 7.744 1.00 2.25 H new ATOM 0 HB3 LEU A 53 25.180 31.786 7.357 1.00 2.25 H new ATOM 0 HG LEU A 53 22.524 31.050 8.514 1.00 60.21 H new ATOM 0 HD11 LEU A 53 21.481 31.138 6.284 1.00 23.44 H new ATOM 0 HD12 LEU A 53 21.940 32.757 6.862 1.00 23.44 H new ATOM 0 HD13 LEU A 53 22.937 31.934 5.639 1.00 23.44 H new ATOM 0 HD21 LEU A 53 22.785 29.154 6.960 1.00 13.14 H new ATOM 0 HD22 LEU A 53 24.291 29.873 6.343 1.00 13.14 H new ATOM 0 HD23 LEU A 53 24.194 29.326 8.033 1.00 13.14 H new ATOM 770 N SER A 54 23.491 30.352 10.639 1.00 55.11 N ATOM 771 CA SER A 54 23.210 29.043 11.216 1.00 24.41 C ATOM 772 C SER A 54 21.771 28.621 10.934 1.00 4.33 C ATOM 773 O SER A 54 20.846 29.428 11.033 1.00 4.21 O ATOM 774 CB SER A 54 23.462 29.063 12.725 1.00 31.40 C ATOM 775 OG SER A 54 24.578 28.259 13.067 1.00 40.23 O ATOM 0 H SER A 54 22.747 31.038 10.768 1.00 55.11 H new ATOM 0 HA SER A 54 23.879 28.318 10.752 1.00 24.41 H new ATOM 0 HB2 SER A 54 23.634 30.088 13.055 1.00 31.40 H new ATOM 0 HB3 SER A 54 22.577 28.704 13.249 1.00 31.40 H new ATOM 0 HG SER A 54 24.719 28.290 14.036 1.00 40.23 H new ATOM 781 N ILE A 55 21.591 27.353 10.583 1.00 21.42 N ATOM 782 CA ILE A 55 20.265 26.823 10.288 1.00 5.21 C ATOM 783 C ILE A 55 19.878 25.729 11.277 1.00 61.44 C ATOM 784 O ILE A 55 20.685 24.859 11.603 1.00 64.52 O ATOM 785 CB ILE A 55 20.191 26.257 8.858 1.00 51.34 C ATOM 786 CG1 ILE A 55 21.060 25.004 8.736 1.00 42.14 C ATOM 787 CG2 ILE A 55 20.625 27.310 7.848 1.00 32.24 C ATOM 788 CD1 ILE A 55 20.300 23.717 8.967 1.00 24.23 C ATOM 0 H ILE A 55 22.346 26.673 10.496 1.00 21.42 H new ATOM 0 HA ILE A 55 19.565 27.654 10.378 1.00 5.21 H new ATOM 0 HB ILE A 55 19.158 25.982 8.645 1.00 51.34 H new ATOM 0 HG12 ILE A 55 21.509 24.978 7.743 1.00 42.14 H new ATOM 0 HG13 ILE A 55 21.878 25.067 9.454 1.00 42.14 H new ATOM 0 HG21 ILE A 55 20.567 26.895 6.842 1.00 32.24 H new ATOM 0 HG22 ILE A 55 19.968 28.177 7.921 1.00 32.24 H new ATOM 0 HG23 ILE A 55 21.651 27.614 8.057 1.00 32.24 H new ATOM 0 HD11 ILE A 55 20.979 22.870 8.865 1.00 24.23 H new ATOM 0 HD12 ILE A 55 19.874 23.721 9.970 1.00 24.23 H new ATOM 0 HD13 ILE A 55 19.499 23.631 8.233 1.00 24.23 H new ATOM 800 N SER A 56 18.637 25.778 11.749 1.00 74.32 N ATOM 801 CA SER A 56 18.142 24.791 12.702 1.00 12.30 C ATOM 802 C SER A 56 16.883 24.110 12.175 1.00 53.14 C ATOM 803 O SER A 56 15.943 24.772 11.737 1.00 15.14 O ATOM 804 CB SER A 56 17.850 25.455 14.049 1.00 21.45 C ATOM 805 OG SER A 56 17.298 26.748 13.872 1.00 21.34 O ATOM 0 H SER A 56 17.956 26.490 11.487 1.00 74.32 H new ATOM 0 HA SER A 56 18.914 24.033 12.837 1.00 12.30 H new ATOM 0 HB2 SER A 56 17.158 24.836 14.621 1.00 21.45 H new ATOM 0 HB3 SER A 56 18.769 25.525 14.630 1.00 21.45 H new ATOM 0 HG SER A 56 17.119 27.150 14.748 1.00 21.34 H new ATOM 811 N ASN A 57 16.873 22.782 12.219 1.00 22.34 N ATOM 812 CA ASN A 57 15.731 22.009 11.746 1.00 55.23 C ATOM 813 C ASN A 57 15.933 20.520 12.012 1.00 55.53 C ATOM 814 O ASN A 57 16.551 19.816 11.215 1.00 61.40 O ATOM 815 CB ASN A 57 15.513 22.246 10.250 1.00 52.50 C ATOM 816 CG ASN A 57 14.328 21.470 9.708 1.00 41.31 C ATOM 817 OD1 ASN A 57 13.577 20.854 10.464 1.00 23.30 O ATOM 818 ND2 ASN A 57 14.156 21.497 8.391 1.00 13.25 N ATOM 0 H ASN A 57 17.644 22.218 12.578 1.00 22.34 H new ATOM 0 HA ASN A 57 14.848 22.341 12.293 1.00 55.23 H new ATOM 0 HB2 ASN A 57 15.359 23.310 10.072 1.00 52.50 H new ATOM 0 HB3 ASN A 57 16.412 21.959 9.705 1.00 52.50 H new ATOM 0 HD21 ASN A 57 13.376 20.994 7.968 1.00 13.25 H new ATOM 0 HD22 ASN A 57 14.804 22.021 7.803 1.00 13.25 H new ATOM 825 N ALA A 58 15.406 20.049 13.137 1.00 14.31 N ATOM 826 CA ALA A 58 15.525 18.645 13.507 1.00 25.52 C ATOM 827 C ALA A 58 14.845 18.369 14.844 1.00 73.25 C ATOM 828 O ALA A 58 14.305 17.285 15.064 1.00 74.11 O ATOM 829 CB ALA A 58 16.990 18.237 13.565 1.00 43.02 C ATOM 0 H ALA A 58 14.892 20.620 13.808 1.00 14.31 H new ATOM 0 HA ALA A 58 15.023 18.051 12.744 1.00 25.52 H new ATOM 0 HB1 ALA A 58 17.064 17.186 13.843 1.00 43.02 H new ATOM 0 HB2 ALA A 58 17.449 18.387 12.588 1.00 43.02 H new ATOM 0 HB3 ALA A 58 17.508 18.845 14.306 1.00 43.02 H new ATOM 835 N SER A 59 14.875 19.356 15.733 1.00 40.32 N ATOM 836 CA SER A 59 14.265 19.218 17.050 1.00 54.02 C ATOM 837 C SER A 59 12.802 18.799 16.930 1.00 44.35 C ATOM 838 O SER A 59 12.322 17.956 17.688 1.00 43.44 O ATOM 839 CB SER A 59 14.368 20.534 17.824 1.00 62.51 C ATOM 840 OG SER A 59 15.300 20.428 18.887 1.00 74.13 O ATOM 0 H SER A 59 15.315 20.261 15.565 1.00 40.32 H new ATOM 0 HA SER A 59 14.804 18.442 17.593 1.00 54.02 H new ATOM 0 HB2 SER A 59 14.671 21.334 17.149 1.00 62.51 H new ATOM 0 HB3 SER A 59 13.389 20.805 18.220 1.00 62.51 H new ATOM 0 HG SER A 59 15.349 21.282 19.365 1.00 74.13 H new ATOM 846 N ASP A 60 12.100 19.394 15.972 1.00 42.43 N ATOM 847 CA ASP A 60 10.693 19.084 15.750 1.00 32.31 C ATOM 848 C ASP A 60 10.319 19.271 14.283 1.00 65.12 C ATOM 849 O ASP A 60 9.176 19.592 13.959 1.00 61.00 O ATOM 850 CB ASP A 60 9.808 19.968 16.631 1.00 64.41 C ATOM 851 CG ASP A 60 8.525 19.274 17.043 1.00 13.30 C ATOM 852 OD1 ASP A 60 7.526 19.384 16.301 1.00 11.52 O ATOM 853 OD2 ASP A 60 8.519 18.621 18.107 1.00 60.20 O ATOM 0 H ASP A 60 12.483 20.094 15.337 1.00 42.43 H new ATOM 0 HA ASP A 60 10.531 18.040 16.017 1.00 32.31 H new ATOM 0 HB2 ASP A 60 10.363 20.259 17.523 1.00 64.41 H new ATOM 0 HB3 ASP A 60 9.565 20.885 16.094 1.00 64.41 H new ATOM 858 N SER A 61 11.292 19.069 13.400 1.00 61.14 N ATOM 859 CA SER A 61 11.067 19.220 11.967 1.00 40.32 C ATOM 860 C SER A 61 10.739 20.669 11.619 1.00 75.15 C ATOM 861 O SER A 61 10.273 20.965 10.518 1.00 74.44 O ATOM 862 CB SER A 61 9.932 18.303 11.508 1.00 54.42 C ATOM 863 OG SER A 61 9.714 17.256 12.437 1.00 2.25 O ATOM 0 H SER A 61 12.243 18.800 13.652 1.00 61.14 H new ATOM 0 HA SER A 61 11.983 18.938 11.448 1.00 40.32 H new ATOM 0 HB2 SER A 61 9.017 18.884 11.389 1.00 54.42 H new ATOM 0 HB3 SER A 61 10.172 17.883 10.532 1.00 54.42 H new ATOM 0 HG SER A 61 8.983 16.685 12.121 1.00 2.25 H new ATOM 869 N HIS A 62 10.985 21.569 12.565 1.00 32.02 N ATOM 870 CA HIS A 62 10.716 22.988 12.360 1.00 62.25 C ATOM 871 C HIS A 62 11.762 23.611 11.441 1.00 45.33 C ATOM 872 O HIS A 62 12.914 23.179 11.412 1.00 40.33 O ATOM 873 CB HIS A 62 10.694 23.724 13.700 1.00 72.35 C ATOM 874 CG HIS A 62 11.980 23.622 14.460 1.00 10.12 C ATOM 875 ND1 HIS A 62 12.240 24.353 15.600 1.00 41.41 N ATOM 876 CD2 HIS A 62 13.082 22.867 14.240 1.00 53.44 C ATOM 877 CE1 HIS A 62 13.447 24.054 16.046 1.00 12.25 C ATOM 878 NE2 HIS A 62 13.979 23.154 15.239 1.00 13.40 N ATOM 0 H HIS A 62 11.370 21.341 13.482 1.00 32.02 H new ATOM 0 HA HIS A 62 9.739 23.083 11.887 1.00 62.25 H new ATOM 0 HB2 HIS A 62 10.468 24.776 13.524 1.00 72.35 H new ATOM 0 HB3 HIS A 62 9.887 23.323 14.312 1.00 72.35 H new ATOM 0 HD2 HIS A 62 13.228 22.169 13.429 1.00 53.44 H new ATOM 0 HE1 HIS A 62 13.919 24.474 16.922 1.00 12.25 H new ATOM 0 HE2 HIS A 62 14.905 22.740 15.341 1.00 13.40 H new ATOM 886 N GLY A 63 11.353 24.630 10.690 1.00 31.42 N ATOM 887 CA GLY A 63 12.267 25.295 9.780 1.00 13.01 C ATOM 888 C GLY A 63 12.561 26.723 10.195 1.00 22.21 C ATOM 889 O GLY A 63 11.657 27.557 10.263 1.00 61.31 O ATOM 0 H GLY A 63 10.405 25.006 10.696 1.00 31.42 H new ATOM 0 HA2 GLY A 63 13.200 24.734 9.733 1.00 13.01 H new ATOM 0 HA3 GLY A 63 11.842 25.292 8.776 1.00 13.01 H new ATOM 893 N LEU A 64 13.828 27.006 10.475 1.00 4.24 N ATOM 894 CA LEU A 64 14.240 28.344 10.888 1.00 21.51 C ATOM 895 C LEU A 64 15.639 28.666 10.372 1.00 54.31 C ATOM 896 O LEU A 64 16.593 27.935 10.636 1.00 14.33 O ATOM 897 CB LEU A 64 14.207 28.461 12.413 1.00 62.21 C ATOM 898 CG LEU A 64 13.093 27.690 13.122 1.00 54.35 C ATOM 899 CD1 LEU A 64 13.526 26.259 13.398 1.00 13.03 C ATOM 900 CD2 LEU A 64 12.699 28.390 14.414 1.00 22.14 C ATOM 0 H LEU A 64 14.588 26.328 10.424 1.00 4.24 H new ATOM 0 HA LEU A 64 13.540 29.062 10.459 1.00 21.51 H new ATOM 0 HB2 LEU A 64 15.165 28.118 12.804 1.00 62.21 H new ATOM 0 HB3 LEU A 64 14.115 29.515 12.674 1.00 62.21 H new ATOM 0 HG LEU A 64 12.222 27.663 12.467 1.00 54.35 H new ATOM 0 HD11 LEU A 64 12.720 25.726 13.903 1.00 13.03 H new ATOM 0 HD12 LEU A 64 13.757 25.761 12.456 1.00 13.03 H new ATOM 0 HD13 LEU A 64 14.412 26.263 14.033 1.00 13.03 H new ATOM 0 HD21 LEU A 64 11.905 27.827 14.905 1.00 22.14 H new ATOM 0 HD22 LEU A 64 13.564 28.449 15.074 1.00 22.14 H new ATOM 0 HD23 LEU A 64 12.345 29.396 14.189 1.00 22.14 H new ATOM 912 N ALA A 65 15.753 29.767 9.636 1.00 53.01 N ATOM 913 CA ALA A 65 17.035 30.189 9.086 1.00 1.14 C ATOM 914 C ALA A 65 17.551 31.438 9.793 1.00 12.11 C ATOM 915 O ALA A 65 16.957 32.511 9.689 1.00 1.44 O ATOM 916 CB ALA A 65 16.912 30.440 7.591 1.00 74.42 C ATOM 0 H ALA A 65 14.973 30.383 9.407 1.00 53.01 H new ATOM 0 HA ALA A 65 17.754 29.386 9.250 1.00 1.14 H new ATOM 0 HB1 ALA A 65 17.877 30.755 7.194 1.00 74.42 H new ATOM 0 HB2 ALA A 65 16.596 29.523 7.093 1.00 74.42 H new ATOM 0 HB3 ALA A 65 16.174 31.222 7.413 1.00 74.42 H new ATOM 922 N SER A 66 18.659 31.291 10.512 1.00 31.42 N ATOM 923 CA SER A 66 19.252 32.406 11.240 1.00 0.31 C ATOM 924 C SER A 66 20.373 33.049 10.429 1.00 3.15 C ATOM 925 O SER A 66 21.434 32.455 10.234 1.00 62.02 O ATOM 926 CB SER A 66 19.791 31.932 12.591 1.00 2.31 C ATOM 927 OG SER A 66 21.043 32.531 12.879 1.00 61.41 O ATOM 0 H SER A 66 19.164 30.410 10.606 1.00 31.42 H new ATOM 0 HA SER A 66 18.475 33.152 11.409 1.00 0.31 H new ATOM 0 HB2 SER A 66 19.077 32.178 13.377 1.00 2.31 H new ATOM 0 HB3 SER A 66 19.896 30.847 12.584 1.00 2.31 H new ATOM 0 HG SER A 66 21.366 32.213 13.748 1.00 61.41 H new ATOM 933 N THR A 67 20.131 34.269 9.959 1.00 32.30 N ATOM 934 CA THR A 67 21.118 34.993 9.169 1.00 51.24 C ATOM 935 C THR A 67 21.782 36.092 9.991 1.00 61.51 C ATOM 936 O THR A 67 21.121 36.793 10.758 1.00 22.54 O ATOM 937 CB THR A 67 20.482 35.621 7.914 1.00 71.43 C ATOM 938 OG1 THR A 67 19.702 36.765 8.279 1.00 24.25 O ATOM 939 CG2 THR A 67 19.602 34.612 7.191 1.00 65.43 C ATOM 0 H THR A 67 19.259 34.776 10.112 1.00 32.30 H new ATOM 0 HA THR A 67 21.871 34.267 8.862 1.00 51.24 H new ATOM 0 HB THR A 67 21.284 35.928 7.243 1.00 71.43 H new ATOM 0 HG1 THR A 67 19.140 36.545 9.051 1.00 24.25 H new ATOM 0 HG21 THR A 67 19.164 35.078 6.308 1.00 65.43 H new ATOM 0 HG22 THR A 67 20.204 33.755 6.888 1.00 65.43 H new ATOM 0 HG23 THR A 67 18.807 34.279 7.858 1.00 65.43 H new ATOM 947 N LEU A 68 23.092 36.237 9.826 1.00 41.31 N ATOM 948 CA LEU A 68 23.847 37.252 10.553 1.00 13.21 C ATOM 949 C LEU A 68 25.029 37.747 9.727 1.00 4.50 C ATOM 950 O LEU A 68 25.964 38.345 10.259 1.00 12.12 O ATOM 951 CB LEU A 68 24.341 36.690 11.887 1.00 43.10 C ATOM 952 CG LEU A 68 23.266 36.136 12.822 1.00 14.52 C ATOM 953 CD1 LEU A 68 22.961 34.685 12.486 1.00 42.03 C ATOM 954 CD2 LEU A 68 23.702 36.269 14.274 1.00 13.11 C ATOM 0 H LEU A 68 23.654 35.665 9.195 1.00 41.31 H new ATOM 0 HA LEU A 68 23.184 38.095 10.745 1.00 13.21 H new ATOM 0 HB2 LEU A 68 25.058 35.896 11.680 1.00 43.10 H new ATOM 0 HB3 LEU A 68 24.880 37.478 12.413 1.00 43.10 H new ATOM 0 HG LEU A 68 22.355 36.718 12.682 1.00 14.52 H new ATOM 0 HD11 LEU A 68 22.194 34.308 13.162 1.00 42.03 H new ATOM 0 HD12 LEU A 68 22.604 34.617 11.458 1.00 42.03 H new ATOM 0 HD13 LEU A 68 23.866 34.088 12.596 1.00 42.03 H new ATOM 0 HD21 LEU A 68 22.925 35.870 14.925 1.00 13.11 H new ATOM 0 HD22 LEU A 68 24.626 35.712 14.429 1.00 13.11 H new ATOM 0 HD23 LEU A 68 23.868 37.320 14.509 1.00 13.11 H new ATOM 966 N ASN A 69 24.980 37.496 8.423 1.00 44.12 N ATOM 967 CA ASN A 69 26.047 37.918 7.522 1.00 3.05 C ATOM 968 C ASN A 69 25.746 39.290 6.927 1.00 74.34 C ATOM 969 O ASN A 69 24.673 39.851 7.148 1.00 32.52 O ATOM 970 CB ASN A 69 26.233 36.893 6.402 1.00 31.42 C ATOM 971 CG ASN A 69 24.963 36.672 5.604 1.00 54.33 C ATOM 972 OD1 ASN A 69 24.676 37.406 4.657 1.00 20.25 O ATOM 973 ND2 ASN A 69 24.194 35.658 5.983 1.00 60.11 N ATOM 0 H ASN A 69 24.213 37.003 7.966 1.00 44.12 H new ATOM 0 HA ASN A 69 26.969 37.987 8.099 1.00 3.05 H new ATOM 0 HB2 ASN A 69 27.025 37.229 5.733 1.00 31.42 H new ATOM 0 HB3 ASN A 69 26.559 35.945 6.831 1.00 31.42 H new ATOM 0 HD21 ASN A 69 23.327 35.461 5.484 1.00 60.11 H new ATOM 0 HD22 ASN A 69 24.471 35.076 6.773 1.00 60.11 H new ATOM 980 N GLN A 70 26.699 39.823 6.170 1.00 62.33 N ATOM 981 CA GLN A 70 26.535 41.129 5.542 1.00 21.41 C ATOM 982 C GLN A 70 26.778 41.044 4.039 1.00 55.43 C ATOM 983 O GLN A 70 27.729 41.626 3.520 1.00 42.13 O ATOM 984 CB GLN A 70 27.493 42.143 6.169 1.00 11.20 C ATOM 985 CG GLN A 70 28.942 41.685 6.181 1.00 23.20 C ATOM 986 CD GLN A 70 29.876 42.684 5.527 1.00 51.20 C ATOM 987 OE1 GLN A 70 29.615 43.888 5.528 1.00 71.44 O ATOM 988 NE2 GLN A 70 30.972 42.190 4.964 1.00 23.11 N ATOM 0 H GLN A 70 27.593 39.371 5.976 1.00 62.33 H new ATOM 0 HA GLN A 70 25.509 41.458 5.708 1.00 21.41 H new ATOM 0 HB2 GLN A 70 27.422 43.083 5.622 1.00 11.20 H new ATOM 0 HB3 GLN A 70 27.176 42.345 7.192 1.00 11.20 H new ATOM 0 HG2 GLN A 70 29.258 41.519 7.211 1.00 23.20 H new ATOM 0 HG3 GLN A 70 29.021 40.728 5.665 1.00 23.20 H new ATOM 0 HE21 GLN A 70 31.149 41.186 4.987 1.00 23.11 H new ATOM 0 HE22 GLN A 70 31.638 42.815 4.509 1.00 23.11 H new ATOM 997 N GLY A 71 25.909 40.315 3.344 1.00 43.20 N ATOM 998 CA GLY A 71 26.047 40.168 1.907 1.00 60.32 C ATOM 999 C GLY A 71 24.910 39.375 1.294 1.00 53.13 C ATOM 1000 O GLY A 71 23.765 39.477 1.734 1.00 45.23 O ATOM 0 H GLY A 71 25.113 39.824 3.751 1.00 43.20 H new ATOM 0 HA2 GLY A 71 26.088 41.155 1.446 1.00 60.32 H new ATOM 0 HA3 GLY A 71 26.992 39.673 1.685 1.00 60.32 H new ATOM 1004 N ASN A 72 25.225 38.584 0.273 1.00 34.24 N ATOM 1005 CA ASN A 72 24.219 37.772 -0.403 1.00 43.10 C ATOM 1006 C ASN A 72 24.456 36.287 -0.146 1.00 0.13 C ATOM 1007 O ASN A 72 25.594 35.817 -0.158 1.00 10.54 O ATOM 1008 CB ASN A 72 24.237 38.050 -1.908 1.00 25.35 C ATOM 1009 CG ASN A 72 25.507 38.752 -2.351 1.00 34.43 C ATOM 1010 OD1 ASN A 72 26.444 38.117 -2.834 1.00 71.33 O ATOM 1011 ND2 ASN A 72 25.542 40.069 -2.187 1.00 20.03 N ATOM 0 H ASN A 72 26.168 38.488 -0.104 1.00 34.24 H new ATOM 0 HA ASN A 72 23.242 38.040 -0.002 1.00 43.10 H new ATOM 0 HB2 ASN A 72 24.137 37.109 -2.450 1.00 25.35 H new ATOM 0 HB3 ASN A 72 23.375 38.663 -2.172 1.00 25.35 H new ATOM 0 HD21 ASN A 72 26.370 40.596 -2.466 1.00 20.03 H new ATOM 0 HD22 ASN A 72 24.741 40.554 -1.782 1.00 20.03 H new ATOM 1018 N VAL A 73 23.373 35.552 0.086 1.00 11.24 N ATOM 1019 CA VAL A 73 23.462 34.120 0.345 1.00 53.01 C ATOM 1020 C VAL A 73 22.403 33.353 -0.440 1.00 2.31 C ATOM 1021 O VAL A 73 21.311 33.862 -0.691 1.00 55.02 O ATOM 1022 CB VAL A 73 23.299 33.809 1.845 1.00 53.24 C ATOM 1023 CG1 VAL A 73 24.320 34.582 2.664 1.00 4.34 C ATOM 1024 CG2 VAL A 73 21.884 34.127 2.303 1.00 13.54 C ATOM 0 H VAL A 73 22.424 35.925 0.100 1.00 11.24 H new ATOM 0 HA VAL A 73 24.453 33.801 0.021 1.00 53.01 H new ATOM 0 HB VAL A 73 23.476 32.745 2.000 1.00 53.24 H new ATOM 0 HG11 VAL A 73 24.190 34.350 3.721 1.00 4.34 H new ATOM 0 HG12 VAL A 73 25.326 34.300 2.352 1.00 4.34 H new ATOM 0 HG13 VAL A 73 24.178 35.651 2.507 1.00 4.34 H new ATOM 0 HG21 VAL A 73 21.786 33.902 3.365 1.00 13.54 H new ATOM 0 HG22 VAL A 73 21.676 35.184 2.136 1.00 13.54 H new ATOM 0 HG23 VAL A 73 21.174 33.524 1.737 1.00 13.54 H new ATOM 1034 N LYS A 74 22.734 32.125 -0.825 1.00 11.33 N ATOM 1035 CA LYS A 74 21.812 31.285 -1.580 1.00 11.31 C ATOM 1036 C LYS A 74 21.229 30.187 -0.697 1.00 20.42 C ATOM 1037 O LYS A 74 21.963 29.379 -0.127 1.00 43.13 O ATOM 1038 CB LYS A 74 22.525 30.663 -2.783 1.00 11.14 C ATOM 1039 CG LYS A 74 21.583 29.997 -3.770 1.00 71.05 C ATOM 1040 CD LYS A 74 20.673 31.011 -4.444 1.00 31.34 C ATOM 1041 CE LYS A 74 20.069 30.454 -5.724 1.00 34.25 C ATOM 1042 NZ LYS A 74 21.109 30.174 -6.752 1.00 55.52 N ATOM 0 H LYS A 74 23.635 31.689 -0.626 1.00 11.33 H new ATOM 0 HA LYS A 74 20.995 31.913 -1.935 1.00 11.31 H new ATOM 0 HB2 LYS A 74 23.091 31.438 -3.300 1.00 11.14 H new ATOM 0 HB3 LYS A 74 23.245 29.926 -2.427 1.00 11.14 H new ATOM 0 HG2 LYS A 74 22.162 29.467 -4.526 1.00 71.05 H new ATOM 0 HG3 LYS A 74 20.979 29.252 -3.252 1.00 71.05 H new ATOM 0 HD2 LYS A 74 19.875 31.298 -3.759 1.00 31.34 H new ATOM 0 HD3 LYS A 74 21.239 31.915 -4.671 1.00 31.34 H new ATOM 0 HE2 LYS A 74 19.524 29.537 -5.499 1.00 34.25 H new ATOM 0 HE3 LYS A 74 19.346 31.165 -6.123 1.00 34.25 H new ATOM 0 HZ1 LYS A 74 20.673 30.177 -7.696 1.00 55.52 H new ATOM 0 HZ2 LYS A 74 21.846 30.906 -6.709 1.00 55.52 H new ATOM 0 HZ3 LYS A 74 21.535 29.243 -6.570 1.00 55.52 H new ATOM 1056 N VAL A 75 19.904 30.161 -0.588 1.00 44.14 N ATOM 1057 CA VAL A 75 19.223 29.160 0.223 1.00 30.32 C ATOM 1058 C VAL A 75 18.452 28.176 -0.650 1.00 52.52 C ATOM 1059 O VAL A 75 17.534 28.560 -1.376 1.00 42.44 O ATOM 1060 CB VAL A 75 18.250 29.814 1.222 1.00 4.13 C ATOM 1061 CG1 VAL A 75 17.688 28.774 2.179 1.00 11.13 C ATOM 1062 CG2 VAL A 75 18.944 30.933 1.985 1.00 33.21 C ATOM 0 H VAL A 75 19.281 30.822 -1.052 1.00 44.14 H new ATOM 0 HA VAL A 75 19.994 28.624 0.776 1.00 30.32 H new ATOM 0 HB VAL A 75 17.419 30.246 0.664 1.00 4.13 H new ATOM 0 HG11 VAL A 75 17.003 29.255 2.877 1.00 11.13 H new ATOM 0 HG12 VAL A 75 17.154 28.010 1.614 1.00 11.13 H new ATOM 0 HG13 VAL A 75 18.504 28.310 2.733 1.00 11.13 H new ATOM 0 HG21 VAL A 75 18.243 31.384 2.687 1.00 33.21 H new ATOM 0 HG22 VAL A 75 19.794 30.527 2.533 1.00 33.21 H new ATOM 0 HG23 VAL A 75 19.293 31.690 1.283 1.00 33.21 H new ATOM 1072 N THR A 76 18.830 26.904 -0.575 1.00 54.01 N ATOM 1073 CA THR A 76 18.174 25.865 -1.359 1.00 25.41 C ATOM 1074 C THR A 76 17.374 24.924 -0.465 1.00 41.22 C ATOM 1075 O THR A 76 17.791 24.606 0.648 1.00 12.31 O ATOM 1076 CB THR A 76 19.196 25.042 -2.166 1.00 62.32 C ATOM 1077 OG1 THR A 76 20.464 25.707 -2.175 1.00 0.23 O ATOM 1078 CG2 THR A 76 18.717 24.835 -3.595 1.00 34.11 C ATOM 0 H THR A 76 19.587 26.568 0.021 1.00 54.01 H new ATOM 0 HA THR A 76 17.497 26.369 -2.049 1.00 25.41 H new ATOM 0 HB THR A 76 19.301 24.067 -1.689 1.00 62.32 H new ATOM 0 HG1 THR A 76 21.108 25.176 -2.689 1.00 0.23 H new ATOM 0 HG21 THR A 76 19.455 24.251 -4.145 1.00 34.11 H new ATOM 0 HG22 THR A 76 17.766 24.302 -3.586 1.00 34.11 H new ATOM 0 HG23 THR A 76 18.586 25.803 -4.079 1.00 34.11 H new ATOM 1086 N ALA A 77 16.223 24.482 -0.961 1.00 31.35 N ATOM 1087 CA ALA A 77 15.366 23.575 -0.207 1.00 75.03 C ATOM 1088 C ALA A 77 14.842 22.451 -1.094 1.00 73.35 C ATOM 1089 O ALA A 77 14.476 22.677 -2.248 1.00 21.50 O ATOM 1090 CB ALA A 77 14.208 24.340 0.417 1.00 20.12 C ATOM 0 H ALA A 77 15.863 24.737 -1.881 1.00 31.35 H new ATOM 0 HA ALA A 77 15.963 23.128 0.588 1.00 75.03 H new ATOM 0 HB1 ALA A 77 13.576 23.651 0.977 1.00 20.12 H new ATOM 0 HB2 ALA A 77 14.597 25.104 1.090 1.00 20.12 H new ATOM 0 HB3 ALA A 77 13.620 24.814 -0.369 1.00 20.12 H new ATOM 1096 N SER A 78 14.809 21.239 -0.549 1.00 11.10 N ATOM 1097 CA SER A 78 14.334 20.078 -1.293 1.00 50.40 C ATOM 1098 C SER A 78 13.658 19.076 -0.362 1.00 64.25 C ATOM 1099 O SER A 78 14.161 18.783 0.723 1.00 44.42 O ATOM 1100 CB SER A 78 15.496 19.407 -2.028 1.00 33.22 C ATOM 1101 OG SER A 78 15.141 19.092 -3.363 1.00 34.51 O ATOM 0 H SER A 78 15.106 21.035 0.405 1.00 11.10 H new ATOM 0 HA SER A 78 13.601 20.420 -2.024 1.00 50.40 H new ATOM 0 HB2 SER A 78 16.363 20.068 -2.025 1.00 33.22 H new ATOM 0 HB3 SER A 78 15.787 18.498 -1.502 1.00 33.22 H new ATOM 0 HG SER A 78 15.901 18.666 -3.812 1.00 34.51 H new ATOM 1107 N ILE A 79 12.516 18.553 -0.795 1.00 62.04 N ATOM 1108 CA ILE A 79 11.772 17.583 -0.003 1.00 33.45 C ATOM 1109 C ILE A 79 11.199 16.477 -0.883 1.00 21.22 C ATOM 1110 O ILE A 79 10.397 16.735 -1.779 1.00 13.13 O ATOM 1111 CB ILE A 79 10.622 18.253 0.773 1.00 23.33 C ATOM 1112 CG1 ILE A 79 9.779 17.197 1.492 1.00 44.03 C ATOM 1113 CG2 ILE A 79 9.758 19.078 -0.168 1.00 71.44 C ATOM 1114 CD1 ILE A 79 9.158 17.693 2.778 1.00 12.24 C ATOM 0 H ILE A 79 12.086 18.785 -1.690 1.00 62.04 H new ATOM 0 HA ILE A 79 12.476 17.150 0.708 1.00 33.45 H new ATOM 0 HB ILE A 79 11.049 18.921 1.521 1.00 23.33 H new ATOM 0 HG12 ILE A 79 8.988 16.858 0.823 1.00 44.03 H new ATOM 0 HG13 ILE A 79 10.404 16.331 1.710 1.00 44.03 H new ATOM 0 HG21 ILE A 79 8.950 19.545 0.395 1.00 71.44 H new ATOM 0 HG22 ILE A 79 10.367 19.851 -0.638 1.00 71.44 H new ATOM 0 HG23 ILE A 79 9.337 18.430 -0.937 1.00 71.44 H new ATOM 0 HD11 ILE A 79 8.575 16.892 3.233 1.00 12.24 H new ATOM 0 HD12 ILE A 79 9.944 18.005 3.465 1.00 12.24 H new ATOM 0 HD13 ILE A 79 8.506 18.540 2.564 1.00 12.24 H new ATOM 1126 N GLY A 80 11.617 15.242 -0.619 1.00 54.24 N ATOM 1127 CA GLY A 80 11.134 14.115 -1.395 1.00 71.41 C ATOM 1128 C GLY A 80 11.664 14.119 -2.815 1.00 73.53 C ATOM 1129 O GLY A 80 12.774 13.656 -3.072 1.00 44.22 O ATOM 0 H GLY A 80 12.281 15.003 0.118 1.00 54.24 H new ATOM 0 HA2 GLY A 80 11.427 13.187 -0.904 1.00 71.41 H new ATOM 0 HA3 GLY A 80 10.044 14.133 -1.417 1.00 71.41 H new ATOM 1133 N GLY A 81 10.866 14.641 -3.742 1.00 33.02 N ATOM 1134 CA GLY A 81 11.277 14.691 -5.132 1.00 44.45 C ATOM 1135 C GLY A 81 11.464 16.111 -5.631 1.00 35.21 C ATOM 1136 O GLY A 81 12.564 16.497 -6.027 1.00 54.11 O ATOM 0 H GLY A 81 9.942 15.030 -3.554 1.00 33.02 H new ATOM 0 HA2 GLY A 81 12.211 14.141 -5.252 1.00 44.45 H new ATOM 0 HA3 GLY A 81 10.530 14.189 -5.747 1.00 44.45 H new ATOM 1140 N ILE A 82 10.386 16.888 -5.613 1.00 44.51 N ATOM 1141 CA ILE A 82 10.436 18.273 -6.067 1.00 65.44 C ATOM 1142 C ILE A 82 11.406 19.093 -5.223 1.00 53.45 C ATOM 1143 O ILE A 82 11.663 18.768 -4.065 1.00 11.43 O ATOM 1144 CB ILE A 82 9.045 18.932 -6.018 1.00 65.13 C ATOM 1145 CG1 ILE A 82 8.000 18.016 -6.658 1.00 41.14 C ATOM 1146 CG2 ILE A 82 9.074 20.282 -6.719 1.00 4.25 C ATOM 1147 CD1 ILE A 82 8.331 17.624 -8.081 1.00 73.43 C ATOM 0 H ILE A 82 9.468 16.583 -5.289 1.00 44.51 H new ATOM 0 HA ILE A 82 10.783 18.255 -7.100 1.00 65.44 H new ATOM 0 HB ILE A 82 8.771 19.092 -4.975 1.00 65.13 H new ATOM 0 HG12 ILE A 82 7.901 17.114 -6.055 1.00 41.14 H new ATOM 0 HG13 ILE A 82 7.032 18.517 -6.643 1.00 41.14 H new ATOM 0 HG21 ILE A 82 8.084 20.736 -6.676 1.00 4.25 H new ATOM 0 HG22 ILE A 82 9.793 20.934 -6.224 1.00 4.25 H new ATOM 0 HG23 ILE A 82 9.366 20.145 -7.760 1.00 4.25 H new ATOM 0 HD11 ILE A 82 7.547 16.975 -8.471 1.00 73.43 H new ATOM 0 HD12 ILE A 82 8.401 18.520 -8.698 1.00 73.43 H new ATOM 0 HD13 ILE A 82 9.284 17.095 -8.100 1.00 73.43 H new ATOM 1159 N GLN A 83 11.939 20.159 -5.813 1.00 34.04 N ATOM 1160 CA GLN A 83 12.879 21.027 -5.114 1.00 12.21 C ATOM 1161 C GLN A 83 12.534 22.496 -5.339 1.00 64.23 C ATOM 1162 O GLN A 83 11.785 22.835 -6.254 1.00 62.34 O ATOM 1163 CB GLN A 83 14.308 20.749 -5.583 1.00 30.54 C ATOM 1164 CG GLN A 83 14.660 21.425 -6.898 1.00 34.50 C ATOM 1165 CD GLN A 83 16.063 21.095 -7.367 1.00 22.04 C ATOM 1166 OE1 GLN A 83 16.926 21.970 -7.444 1.00 11.24 O ATOM 1167 NE2 GLN A 83 16.300 19.827 -7.683 1.00 14.12 N ATOM 0 H GLN A 83 11.736 20.442 -6.772 1.00 34.04 H new ATOM 0 HA GLN A 83 12.807 20.815 -4.047 1.00 12.21 H new ATOM 0 HB2 GLN A 83 15.005 21.083 -4.815 1.00 30.54 H new ATOM 0 HB3 GLN A 83 14.443 19.673 -5.690 1.00 30.54 H new ATOM 0 HG2 GLN A 83 13.945 21.120 -7.662 1.00 34.50 H new ATOM 0 HG3 GLN A 83 14.564 22.505 -6.784 1.00 34.50 H new ATOM 0 HE21 GLN A 83 15.556 19.134 -7.604 1.00 14.12 H new ATOM 0 HE22 GLN A 83 17.226 19.546 -8.004 1.00 14.12 H new ATOM 1176 N GLY A 84 13.087 23.364 -4.498 1.00 11.34 N ATOM 1177 CA GLY A 84 12.826 24.786 -4.622 1.00 12.43 C ATOM 1178 C GLY A 84 14.039 25.630 -4.283 1.00 53.35 C ATOM 1179 O GLY A 84 14.836 25.265 -3.420 1.00 10.34 O ATOM 0 H GLY A 84 13.711 23.108 -3.733 1.00 11.34 H new ATOM 0 HA2 GLY A 84 12.507 25.006 -5.641 1.00 12.43 H new ATOM 0 HA3 GLY A 84 12.001 25.060 -3.964 1.00 12.43 H new ATOM 1183 N SER A 85 14.180 26.761 -4.967 1.00 51.41 N ATOM 1184 CA SER A 85 15.308 27.657 -4.738 1.00 53.14 C ATOM 1185 C SER A 85 14.830 29.014 -4.230 1.00 33.33 C ATOM 1186 O SER A 85 13.715 29.445 -4.528 1.00 44.11 O ATOM 1187 CB SER A 85 16.112 27.838 -6.027 1.00 64.50 C ATOM 1188 OG SER A 85 15.280 27.722 -7.168 1.00 42.12 O ATOM 0 H SER A 85 13.528 27.079 -5.684 1.00 51.41 H new ATOM 0 HA SER A 85 15.948 27.208 -3.978 1.00 53.14 H new ATOM 0 HB2 SER A 85 16.595 28.815 -6.023 1.00 64.50 H new ATOM 0 HB3 SER A 85 16.904 27.091 -6.073 1.00 64.50 H new ATOM 0 HG SER A 85 15.817 27.843 -7.978 1.00 42.12 H new ATOM 1194 N THR A 86 15.681 29.683 -3.459 1.00 10.14 N ATOM 1195 CA THR A 86 15.347 30.990 -2.907 1.00 31.15 C ATOM 1196 C THR A 86 16.579 31.884 -2.825 1.00 21.40 C ATOM 1197 O THR A 86 17.705 31.397 -2.725 1.00 24.40 O ATOM 1198 CB THR A 86 14.724 30.864 -1.503 1.00 50.44 C ATOM 1199 OG1 THR A 86 13.896 29.698 -1.437 1.00 64.33 O ATOM 1200 CG2 THR A 86 13.899 32.097 -1.165 1.00 42.23 C ATOM 0 H THR A 86 16.607 29.341 -3.203 1.00 10.14 H new ATOM 0 HA THR A 86 14.619 31.441 -3.581 1.00 31.15 H new ATOM 0 HB THR A 86 15.533 30.776 -0.777 1.00 50.44 H new ATOM 0 HG1 THR A 86 13.766 29.442 -0.500 1.00 64.33 H new ATOM 0 HG21 THR A 86 13.469 31.985 -0.170 1.00 42.23 H new ATOM 0 HG22 THR A 86 14.538 32.980 -1.187 1.00 42.23 H new ATOM 0 HG23 THR A 86 13.098 32.210 -1.896 1.00 42.23 H new ATOM 1208 N ASP A 87 16.358 33.193 -2.868 1.00 24.25 N ATOM 1209 CA ASP A 87 17.452 34.155 -2.797 1.00 13.35 C ATOM 1210 C ASP A 87 17.303 35.057 -1.575 1.00 24.00 C ATOM 1211 O ASP A 87 16.262 35.683 -1.375 1.00 42.13 O ATOM 1212 CB ASP A 87 17.497 35.003 -4.069 1.00 31.30 C ATOM 1213 CG ASP A 87 18.523 36.116 -3.987 1.00 60.31 C ATOM 1214 OD1 ASP A 87 18.176 37.207 -3.490 1.00 34.04 O ATOM 1215 OD2 ASP A 87 19.673 35.896 -4.421 1.00 64.24 O ATOM 0 H ASP A 87 15.432 33.612 -2.952 1.00 24.25 H new ATOM 0 HA ASP A 87 18.386 33.600 -2.706 1.00 13.35 H new ATOM 0 HB2 ASP A 87 17.727 34.363 -4.921 1.00 31.30 H new ATOM 0 HB3 ASP A 87 16.512 35.433 -4.250 1.00 31.30 H new ATOM 1220 N PHE A 88 18.351 35.117 -0.760 1.00 1.42 N ATOM 1221 CA PHE A 88 18.337 35.941 0.444 1.00 71.23 C ATOM 1222 C PHE A 88 19.548 36.868 0.482 1.00 11.25 C ATOM 1223 O PHE A 88 20.672 36.453 0.198 1.00 12.54 O ATOM 1224 CB PHE A 88 18.318 35.056 1.692 1.00 15.31 C ATOM 1225 CG PHE A 88 17.000 34.372 1.922 1.00 42.42 C ATOM 1226 CD1 PHE A 88 16.733 33.143 1.342 1.00 33.44 C ATOM 1227 CD2 PHE A 88 16.029 34.960 2.717 1.00 61.42 C ATOM 1228 CE1 PHE A 88 15.522 32.510 1.552 1.00 14.30 C ATOM 1229 CE2 PHE A 88 14.816 34.332 2.930 1.00 25.14 C ATOM 1230 CZ PHE A 88 14.562 33.106 2.346 1.00 11.43 C ATOM 0 H PHE A 88 19.220 34.605 -0.911 1.00 1.42 H new ATOM 0 HA PHE A 88 17.435 36.552 0.426 1.00 71.23 H new ATOM 0 HB2 PHE A 88 19.100 34.301 1.604 1.00 15.31 H new ATOM 0 HB3 PHE A 88 18.559 35.665 2.563 1.00 15.31 H new ATOM 0 HD1 PHE A 88 17.479 32.674 0.718 1.00 33.44 H new ATOM 0 HD2 PHE A 88 16.222 35.919 3.175 1.00 61.42 H new ATOM 0 HE1 PHE A 88 15.327 31.551 1.096 1.00 14.30 H new ATOM 0 HE2 PHE A 88 14.067 34.799 3.553 1.00 25.14 H new ATOM 0 HZ PHE A 88 13.614 32.615 2.510 1.00 11.43 H new ATOM 1240 N LYS A 89 19.310 38.127 0.836 1.00 65.13 N ATOM 1241 CA LYS A 89 20.380 39.115 0.913 1.00 12.21 C ATOM 1242 C LYS A 89 20.369 39.824 2.264 1.00 60.23 C ATOM 1243 O LYS A 89 19.456 40.593 2.565 1.00 22.13 O ATOM 1244 CB LYS A 89 20.237 40.141 -0.214 1.00 21.40 C ATOM 1245 CG LYS A 89 21.136 39.863 -1.406 1.00 70.14 C ATOM 1246 CD LYS A 89 22.246 40.894 -1.520 1.00 52.53 C ATOM 1247 CE LYS A 89 21.689 42.287 -1.774 1.00 34.21 C ATOM 1248 NZ LYS A 89 22.162 42.846 -3.070 1.00 41.03 N ATOM 0 H LYS A 89 18.386 38.487 1.074 1.00 65.13 H new ATOM 0 HA LYS A 89 21.331 38.594 0.803 1.00 12.21 H new ATOM 0 HB2 LYS A 89 19.200 40.159 -0.548 1.00 21.40 H new ATOM 0 HB3 LYS A 89 20.463 41.133 0.178 1.00 21.40 H new ATOM 0 HG2 LYS A 89 21.571 38.868 -1.311 1.00 70.14 H new ATOM 0 HG3 LYS A 89 20.541 39.865 -2.320 1.00 70.14 H new ATOM 0 HD2 LYS A 89 22.836 40.898 -0.603 1.00 52.53 H new ATOM 0 HD3 LYS A 89 22.920 40.617 -2.331 1.00 52.53 H new ATOM 0 HE2 LYS A 89 20.600 42.248 -1.771 1.00 34.21 H new ATOM 0 HE3 LYS A 89 21.987 42.951 -0.962 1.00 34.21 H new ATOM 0 HZ1 LYS A 89 21.760 43.796 -3.206 1.00 41.03 H new ATOM 0 HZ2 LYS A 89 23.200 42.907 -3.064 1.00 41.03 H new ATOM 0 HZ3 LYS A 89 21.856 42.227 -3.847 1.00 41.03 H new ATOM 1262 N VAL A 90 21.390 39.561 3.073 1.00 22.11 N ATOM 1263 CA VAL A 90 21.499 40.176 4.391 1.00 64.43 C ATOM 1264 C VAL A 90 22.330 41.453 4.334 1.00 20.31 C ATOM 1265 O VAL A 90 23.464 41.449 3.854 1.00 22.12 O ATOM 1266 CB VAL A 90 22.132 39.210 5.410 1.00 31.40 C ATOM 1267 CG1 VAL A 90 21.819 39.653 6.831 1.00 31.41 C ATOM 1268 CG2 VAL A 90 21.648 37.788 5.167 1.00 23.12 C ATOM 0 H VAL A 90 22.154 38.926 2.839 1.00 22.11 H new ATOM 0 HA VAL A 90 20.486 40.419 4.712 1.00 64.43 H new ATOM 0 HB VAL A 90 23.214 39.229 5.279 1.00 31.40 H new ATOM 0 HG11 VAL A 90 22.274 38.959 7.537 1.00 31.41 H new ATOM 0 HG12 VAL A 90 22.219 40.653 6.997 1.00 31.41 H new ATOM 0 HG13 VAL A 90 20.739 39.665 6.979 1.00 31.41 H new ATOM 0 HG21 VAL A 90 22.105 37.119 5.896 1.00 23.12 H new ATOM 0 HG22 VAL A 90 20.564 37.750 5.270 1.00 23.12 H new ATOM 0 HG23 VAL A 90 21.928 37.475 4.161 1.00 23.12 H new ATOM 1278 N THR A 91 21.758 42.547 4.828 1.00 22.42 N ATOM 1279 CA THR A 91 22.445 43.832 4.834 1.00 51.03 C ATOM 1280 C THR A 91 22.920 44.195 6.236 1.00 45.33 C ATOM 1281 O THR A 91 22.610 43.503 7.204 1.00 24.44 O ATOM 1282 CB THR A 91 21.535 44.957 4.305 1.00 44.12 C ATOM 1283 OG1 THR A 91 20.417 44.396 3.609 1.00 52.24 O ATOM 1284 CG2 THR A 91 22.305 45.883 3.375 1.00 1.34 C ATOM 0 H THR A 91 20.820 42.568 5.229 1.00 22.42 H new ATOM 0 HA THR A 91 23.308 43.733 4.176 1.00 51.03 H new ATOM 0 HB THR A 91 21.179 45.537 5.156 1.00 44.12 H new ATOM 0 HG1 THR A 91 19.843 45.117 3.277 1.00 52.24 H new ATOM 0 HG21 THR A 91 21.642 46.669 3.014 1.00 1.34 H new ATOM 0 HG22 THR A 91 23.139 46.331 3.916 1.00 1.34 H new ATOM 0 HG23 THR A 91 22.687 45.313 2.528 1.00 1.34 H new ATOM 1292 N GLN A 92 23.674 45.286 6.336 1.00 71.30 N ATOM 1293 CA GLN A 92 24.192 45.740 7.621 1.00 52.20 C ATOM 1294 C GLN A 92 23.071 46.291 8.496 1.00 75.21 C ATOM 1295 O GLN A 92 21.918 45.872 8.383 1.00 51.02 O ATOM 1296 CB GLN A 92 25.265 46.811 7.413 1.00 74.54 C ATOM 1297 CG GLN A 92 26.139 47.042 8.635 1.00 73.14 C ATOM 1298 CD GLN A 92 27.077 48.221 8.466 1.00 31.33 C ATOM 1299 OE1 GLN A 92 26.902 49.263 9.098 1.00 23.03 O ATOM 1300 NE2 GLN A 92 28.080 48.062 7.611 1.00 61.20 N ATOM 0 H GLN A 92 23.939 45.871 5.543 1.00 71.30 H new ATOM 0 HA GLN A 92 24.637 44.883 8.128 1.00 52.20 H new ATOM 0 HB2 GLN A 92 25.897 46.522 6.574 1.00 74.54 H new ATOM 0 HB3 GLN A 92 24.782 47.749 7.140 1.00 74.54 H new ATOM 0 HG2 GLN A 92 25.504 47.209 9.505 1.00 73.14 H new ATOM 0 HG3 GLN A 92 26.723 46.144 8.835 1.00 73.14 H new ATOM 0 HE21 GLN A 92 28.187 47.181 7.108 1.00 61.20 H new ATOM 0 HE22 GLN A 92 28.744 48.821 7.457 1.00 61.20 H new