USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 877 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 59 SER OG : rot 77:sc= 0.182 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0.178 USER MOD Set 2.1: A 45 MET CE :methyl -122:sc= -0.816 (180deg=-1.76) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 9 GLN : amide:sc= -0.407 K(o=-0.24,f=-1.4) USER MOD Set 3.2: A 22 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0127 (180deg=-0.156) USER MOD Single : A 5 LYS NZ :NH3+ -145:sc= -1.23 (180deg=-3.43!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -18:sc= 0.793 USER MOD Single : A 23 TYR OH : rot 150:sc=-0.000728 USER MOD Single : A 24 GLN : amide:sc= -0.143 K(o=-0.14,f=-1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -131:sc= 0.245 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.016) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0.948 (180deg=0.89) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0191 (180deg=-0.222) USER MOD Single : A 42 ASN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0.295 (180deg=0.279) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.031) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00445) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0222) USER MOD Single : A 64 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.04) USER MOD Single : A 76 LYS NZ :NH3+ 139:sc= -0.538 (180deg=-3.24!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.17 K(o=0.17,f=-3.8!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 66:sc= 0.143 USER MOD Single : A 107 GLN : amide:sc= -0.477 K(o=-0.48,f=-1) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 16.141 -5.468 0.409 1.00 75.40 N ATOM 39 CA LYS A 4 15.327 -5.344 1.624 1.00 2.33 C ATOM 40 C LYS A 4 14.074 -6.217 1.530 1.00 2.01 C ATOM 41 O LYS A 4 13.374 -6.219 0.508 1.00 50.33 O ATOM 42 CB LYS A 4 14.924 -3.855 1.855 1.00 71.34 C ATOM 43 CG LYS A 4 16.069 -2.882 2.272 1.00 0.24 C ATOM 44 CD LYS A 4 16.512 -3.007 3.763 1.00 3.53 C ATOM 45 CE LYS A 4 17.452 -4.189 4.074 1.00 65.02 C ATOM 46 NZ LYS A 4 18.733 -4.094 3.334 1.00 30.24 N ATOM 0 HA LYS A 4 15.924 -5.686 2.470 1.00 2.33 H new ATOM 0 HB2 LYS A 4 14.472 -3.477 0.938 1.00 71.34 H new ATOM 0 HB3 LYS A 4 14.153 -3.825 2.625 1.00 71.34 H new ATOM 0 HG2 LYS A 4 16.933 -3.063 1.633 1.00 0.24 H new ATOM 0 HG3 LYS A 4 15.744 -1.858 2.087 1.00 0.24 H new ATOM 0 HD2 LYS A 4 17.009 -2.082 4.056 1.00 3.53 H new ATOM 0 HD3 LYS A 4 15.620 -3.100 4.383 1.00 3.53 H new ATOM 0 HE2 LYS A 4 17.654 -4.219 5.145 1.00 65.02 H new ATOM 0 HE3 LYS A 4 16.954 -5.124 3.817 1.00 65.02 H new ATOM 0 HZ1 LYS A 4 19.408 -4.785 3.719 1.00 30.24 H new ATOM 0 HZ2 LYS A 4 18.568 -4.295 2.327 1.00 30.24 H new ATOM 0 HZ3 LYS A 4 19.123 -3.135 3.436 1.00 30.24 H new ATOM 60 N LYS A 5 13.835 -6.986 2.600 1.00 13.23 N ATOM 61 CA LYS A 5 12.538 -7.588 2.869 1.00 21.02 C ATOM 62 C LYS A 5 11.731 -6.579 3.691 1.00 2.24 C ATOM 63 O LYS A 5 12.003 -6.381 4.880 1.00 45.30 O ATOM 64 CB LYS A 5 12.699 -8.916 3.647 1.00 71.15 C ATOM 65 CG LYS A 5 11.358 -9.644 3.928 1.00 24.45 C ATOM 66 CD LYS A 5 11.480 -10.869 4.869 1.00 62.05 C ATOM 67 CE LYS A 5 11.771 -10.500 6.340 1.00 55.44 C ATOM 68 NZ LYS A 5 13.155 -10.000 6.567 1.00 53.34 N ATOM 0 H LYS A 5 14.543 -7.204 3.301 1.00 13.23 H new ATOM 0 HA LYS A 5 12.026 -7.822 1.936 1.00 21.02 H new ATOM 0 HB2 LYS A 5 13.351 -9.581 3.081 1.00 71.15 H new ATOM 0 HB3 LYS A 5 13.197 -8.713 4.595 1.00 71.15 H new ATOM 0 HG2 LYS A 5 10.657 -8.933 4.366 1.00 24.45 H new ATOM 0 HG3 LYS A 5 10.930 -9.970 2.980 1.00 24.45 H new ATOM 0 HD2 LYS A 5 10.554 -11.443 4.825 1.00 62.05 H new ATOM 0 HD3 LYS A 5 12.275 -11.518 4.503 1.00 62.05 H new ATOM 0 HE2 LYS A 5 11.061 -9.738 6.662 1.00 55.44 H new ATOM 0 HE3 LYS A 5 11.603 -11.377 6.966 1.00 55.44 H new ATOM 0 HZ1 LYS A 5 13.490 -10.318 7.499 1.00 53.34 H new ATOM 0 HZ2 LYS A 5 13.784 -10.372 5.827 1.00 53.34 H new ATOM 0 HZ3 LYS A 5 13.158 -8.961 6.534 1.00 53.34 H new ATOM 82 N VAL A 6 10.767 -5.938 3.042 1.00 0.05 N ATOM 83 CA VAL A 6 9.919 -4.914 3.666 1.00 13.33 C ATOM 84 C VAL A 6 8.607 -5.562 4.113 1.00 20.53 C ATOM 85 O VAL A 6 8.091 -6.460 3.445 1.00 43.31 O ATOM 86 CB VAL A 6 9.630 -3.718 2.671 1.00 53.51 C ATOM 87 CG1 VAL A 6 9.123 -4.219 1.304 1.00 54.41 C ATOM 88 CG2 VAL A 6 8.634 -2.708 3.277 1.00 74.45 C ATOM 0 H VAL A 6 10.545 -6.111 2.061 1.00 0.05 H new ATOM 0 HA VAL A 6 10.443 -4.501 4.528 1.00 13.33 H new ATOM 0 HB VAL A 6 10.579 -3.207 2.509 1.00 53.51 H new ATOM 0 HG11 VAL A 6 8.937 -3.367 0.650 1.00 54.41 H new ATOM 0 HG12 VAL A 6 9.875 -4.865 0.852 1.00 54.41 H new ATOM 0 HG13 VAL A 6 8.198 -4.779 1.442 1.00 54.41 H new ATOM 0 HG21 VAL A 6 8.458 -1.900 2.567 1.00 74.45 H new ATOM 0 HG22 VAL A 6 7.692 -3.212 3.494 1.00 74.45 H new ATOM 0 HG23 VAL A 6 9.047 -2.298 4.199 1.00 74.45 H new ATOM 98 N GLU A 7 8.085 -5.118 5.258 1.00 41.44 N ATOM 99 CA GLU A 7 6.794 -5.582 5.771 1.00 54.14 C ATOM 100 C GLU A 7 5.773 -4.452 5.585 1.00 34.13 C ATOM 101 O GLU A 7 5.862 -3.396 6.220 1.00 63.41 O ATOM 102 CB GLU A 7 6.939 -6.017 7.249 1.00 21.23 C ATOM 103 CG GLU A 7 7.939 -7.180 7.446 1.00 15.25 C ATOM 104 CD GLU A 7 8.112 -7.621 8.910 1.00 23.35 C ATOM 105 OE1 GLU A 7 7.123 -8.076 9.526 1.00 10.01 O ATOM 106 OE2 GLU A 7 9.240 -7.528 9.453 1.00 13.13 O ATOM 0 H GLU A 7 8.543 -4.429 5.854 1.00 41.44 H new ATOM 0 HA GLU A 7 6.443 -6.457 5.223 1.00 54.14 H new ATOM 0 HB2 GLU A 7 7.264 -5.162 7.842 1.00 21.23 H new ATOM 0 HB3 GLU A 7 5.963 -6.317 7.630 1.00 21.23 H new ATOM 0 HG2 GLU A 7 7.606 -8.035 6.858 1.00 15.25 H new ATOM 0 HG3 GLU A 7 8.910 -6.881 7.051 1.00 15.25 H new ATOM 113 N VAL A 8 4.821 -4.695 4.683 1.00 74.44 N ATOM 114 CA VAL A 8 3.801 -3.733 4.267 1.00 14.15 C ATOM 115 C VAL A 8 2.483 -4.062 4.984 1.00 74.52 C ATOM 116 O VAL A 8 1.915 -5.136 4.778 1.00 24.14 O ATOM 117 CB VAL A 8 3.611 -3.782 2.701 1.00 0.50 C ATOM 118 CG1 VAL A 8 2.472 -2.853 2.224 1.00 52.53 C ATOM 119 CG2 VAL A 8 4.942 -3.443 1.985 1.00 12.24 C ATOM 0 H VAL A 8 4.736 -5.594 4.208 1.00 74.44 H new ATOM 0 HA VAL A 8 4.115 -2.724 4.536 1.00 14.15 H new ATOM 0 HB VAL A 8 3.321 -4.799 2.437 1.00 0.50 H new ATOM 0 HG11 VAL A 8 2.378 -2.920 1.140 1.00 52.53 H new ATOM 0 HG12 VAL A 8 1.535 -3.158 2.689 1.00 52.53 H new ATOM 0 HG13 VAL A 8 2.699 -1.825 2.506 1.00 52.53 H new ATOM 0 HG21 VAL A 8 4.794 -3.481 0.906 1.00 12.24 H new ATOM 0 HG22 VAL A 8 5.265 -2.442 2.272 1.00 12.24 H new ATOM 0 HG23 VAL A 8 5.705 -4.167 2.273 1.00 12.24 H new ATOM 129 N GLN A 9 2.019 -3.136 5.826 1.00 31.50 N ATOM 130 CA GLN A 9 0.791 -3.301 6.609 1.00 11.30 C ATOM 131 C GLN A 9 -0.347 -2.608 5.855 1.00 72.30 C ATOM 132 O GLN A 9 -0.446 -1.377 5.876 1.00 53.31 O ATOM 133 CB GLN A 9 0.963 -2.682 8.027 1.00 51.43 C ATOM 134 CG GLN A 9 2.215 -3.158 8.790 1.00 33.13 C ATOM 135 CD GLN A 9 2.293 -2.605 10.213 1.00 31.11 C ATOM 136 OE1 GLN A 9 2.840 -1.528 10.449 1.00 14.20 O ATOM 137 NE2 GLN A 9 1.741 -3.332 11.177 1.00 20.34 N ATOM 0 H GLN A 9 2.488 -2.244 5.985 1.00 31.50 H new ATOM 0 HA GLN A 9 0.566 -4.360 6.736 1.00 11.30 H new ATOM 0 HB2 GLN A 9 1.003 -1.597 7.933 1.00 51.43 H new ATOM 0 HB3 GLN A 9 0.080 -2.918 8.621 1.00 51.43 H new ATOM 0 HG2 GLN A 9 2.218 -4.247 8.829 1.00 33.13 H new ATOM 0 HG3 GLN A 9 3.106 -2.856 8.239 1.00 33.13 H new ATOM 0 HE21 GLN A 9 1.294 -4.221 10.953 1.00 20.34 H new ATOM 0 HE22 GLN A 9 1.764 -3.001 12.142 1.00 20.34 H new ATOM 146 N VAL A 10 -1.177 -3.393 5.156 1.00 34.02 N ATOM 147 CA VAL A 10 -2.321 -2.865 4.402 1.00 54.25 C ATOM 148 C VAL A 10 -3.564 -2.930 5.298 1.00 14.00 C ATOM 149 O VAL A 10 -4.069 -4.014 5.616 1.00 31.42 O ATOM 150 CB VAL A 10 -2.549 -3.636 3.045 1.00 43.23 C ATOM 151 CG1 VAL A 10 -3.797 -3.111 2.289 1.00 20.13 C ATOM 152 CG2 VAL A 10 -1.281 -3.549 2.158 1.00 34.31 C ATOM 0 H VAL A 10 -1.075 -4.406 5.097 1.00 34.02 H new ATOM 0 HA VAL A 10 -2.117 -1.830 4.126 1.00 54.25 H new ATOM 0 HB VAL A 10 -2.736 -4.683 3.282 1.00 43.23 H new ATOM 0 HG11 VAL A 10 -3.920 -3.667 1.360 1.00 20.13 H new ATOM 0 HG12 VAL A 10 -4.682 -3.244 2.911 1.00 20.13 H new ATOM 0 HG13 VAL A 10 -3.667 -2.052 2.064 1.00 20.13 H new ATOM 0 HG21 VAL A 10 -1.452 -4.085 1.225 1.00 34.31 H new ATOM 0 HG22 VAL A 10 -1.060 -2.504 1.941 1.00 34.31 H new ATOM 0 HG23 VAL A 10 -0.438 -3.996 2.684 1.00 34.31 H new ATOM 162 N LYS A 11 -3.996 -1.750 5.741 1.00 43.31 N ATOM 163 CA LYS A 11 -5.157 -1.560 6.609 1.00 2.12 C ATOM 164 C LYS A 11 -6.269 -0.933 5.768 1.00 65.43 C ATOM 165 O LYS A 11 -5.984 -0.068 4.950 1.00 4.34 O ATOM 166 CB LYS A 11 -4.748 -0.620 7.777 1.00 72.12 C ATOM 167 CG LYS A 11 -5.858 -0.305 8.799 1.00 54.13 C ATOM 168 CD LYS A 11 -5.385 0.639 9.932 1.00 64.13 C ATOM 169 CE LYS A 11 -4.196 0.075 10.737 1.00 42.34 C ATOM 170 NZ LYS A 11 -3.788 0.991 11.840 1.00 52.13 N ATOM 0 H LYS A 11 -3.534 -0.874 5.498 1.00 43.31 H new ATOM 0 HA LYS A 11 -5.509 -2.503 7.027 1.00 2.12 H new ATOM 0 HB2 LYS A 11 -3.909 -1.072 8.306 1.00 72.12 H new ATOM 0 HB3 LYS A 11 -4.390 0.319 7.355 1.00 72.12 H new ATOM 0 HG2 LYS A 11 -6.702 0.151 8.282 1.00 54.13 H new ATOM 0 HG3 LYS A 11 -6.218 -1.237 9.236 1.00 54.13 H new ATOM 0 HD2 LYS A 11 -5.101 1.599 9.501 1.00 64.13 H new ATOM 0 HD3 LYS A 11 -6.217 0.828 10.610 1.00 64.13 H new ATOM 0 HE2 LYS A 11 -4.467 -0.896 11.152 1.00 42.34 H new ATOM 0 HE3 LYS A 11 -3.350 -0.089 10.069 1.00 42.34 H new ATOM 0 HZ1 LYS A 11 -2.986 0.576 12.357 1.00 52.13 H new ATOM 0 HZ2 LYS A 11 -3.505 1.909 11.442 1.00 52.13 H new ATOM 0 HZ3 LYS A 11 -4.587 1.127 12.492 1.00 52.13 H new ATOM 184 N ILE A 12 -7.520 -1.389 5.923 1.00 3.15 N ATOM 185 CA ILE A 12 -8.668 -0.792 5.205 1.00 73.35 C ATOM 186 C ILE A 12 -9.930 -0.789 6.089 1.00 12.32 C ATOM 187 O ILE A 12 -10.206 -1.755 6.791 1.00 31.04 O ATOM 188 CB ILE A 12 -8.937 -1.511 3.825 1.00 11.44 C ATOM 189 CG1 ILE A 12 -10.117 -0.839 3.051 1.00 42.41 C ATOM 190 CG2 ILE A 12 -9.172 -3.025 4.001 1.00 64.11 C ATOM 191 CD1 ILE A 12 -10.424 -1.458 1.694 1.00 42.11 C ATOM 0 H ILE A 12 -7.768 -2.166 6.535 1.00 3.15 H new ATOM 0 HA ILE A 12 -8.410 0.243 4.981 1.00 73.35 H new ATOM 0 HB ILE A 12 -8.036 -1.393 3.223 1.00 11.44 H new ATOM 0 HG12 ILE A 12 -11.014 -0.889 3.669 1.00 42.41 H new ATOM 0 HG13 ILE A 12 -9.886 0.217 2.909 1.00 42.41 H new ATOM 0 HG21 ILE A 12 -9.353 -3.481 3.028 1.00 64.11 H new ATOM 0 HG22 ILE A 12 -8.292 -3.479 4.456 1.00 64.11 H new ATOM 0 HG23 ILE A 12 -10.037 -3.187 4.644 1.00 64.11 H new ATOM 0 HD11 ILE A 12 -11.256 -0.927 1.232 1.00 42.11 H new ATOM 0 HD12 ILE A 12 -9.545 -1.384 1.053 1.00 42.11 H new ATOM 0 HD13 ILE A 12 -10.691 -2.507 1.824 1.00 42.11 H new ATOM 203 N THR A 13 -10.665 0.335 6.077 1.00 71.12 N ATOM 204 CA THR A 13 -11.960 0.458 6.757 1.00 64.23 C ATOM 205 C THR A 13 -13.086 0.337 5.703 1.00 13.43 C ATOM 206 O THR A 13 -13.126 1.114 4.740 1.00 23.35 O ATOM 207 CB THR A 13 -12.057 1.820 7.515 1.00 70.33 C ATOM 208 OG1 THR A 13 -10.899 1.971 8.363 1.00 54.24 O ATOM 209 CG2 THR A 13 -13.339 1.916 8.372 1.00 10.02 C ATOM 0 H THR A 13 -10.375 1.185 5.593 1.00 71.12 H new ATOM 0 HA THR A 13 -12.063 -0.337 7.495 1.00 64.23 H new ATOM 0 HB THR A 13 -12.096 2.617 6.773 1.00 70.33 H new ATOM 0 HG1 THR A 13 -10.952 2.825 8.841 1.00 54.24 H new ATOM 0 HG21 THR A 13 -13.365 2.879 8.881 1.00 10.02 H new ATOM 0 HG22 THR A 13 -14.214 1.822 7.729 1.00 10.02 H new ATOM 0 HG23 THR A 13 -13.344 1.115 9.111 1.00 10.02 H new ATOM 217 N CYS A 14 -13.959 -0.668 5.882 1.00 50.20 N ATOM 218 CA CYS A 14 -15.092 -0.966 4.975 1.00 75.32 C ATOM 219 C CYS A 14 -16.158 -1.765 5.743 1.00 44.33 C ATOM 220 O CYS A 14 -15.812 -2.640 6.547 1.00 52.32 O ATOM 221 CB CYS A 14 -14.597 -1.757 3.733 1.00 42.42 C ATOM 222 SG CYS A 14 -15.856 -2.763 2.858 1.00 55.33 S ATOM 0 H CYS A 14 -13.901 -1.310 6.673 1.00 50.20 H new ATOM 0 HA CYS A 14 -15.532 -0.033 4.623 1.00 75.32 H new ATOM 0 HB2 CYS A 14 -14.171 -1.048 3.023 1.00 42.42 H new ATOM 0 HB3 CYS A 14 -13.789 -2.418 4.047 1.00 42.42 H new ATOM 227 N ASN A 15 -17.445 -1.403 5.516 1.00 45.22 N ATOM 228 CA ASN A 15 -18.656 -2.029 6.126 1.00 42.11 C ATOM 229 C ASN A 15 -18.866 -1.600 7.600 1.00 34.32 C ATOM 230 O ASN A 15 -19.977 -1.231 8.005 1.00 55.11 O ATOM 231 CB ASN A 15 -18.656 -3.585 5.977 1.00 74.52 C ATOM 232 CG ASN A 15 -19.878 -4.299 6.586 1.00 41.12 C ATOM 233 OD1 ASN A 15 -19.766 -5.421 7.081 1.00 1.22 O ATOM 234 ND2 ASN A 15 -21.058 -3.683 6.522 1.00 55.30 N ATOM 0 H ASN A 15 -17.682 -0.641 4.881 1.00 45.22 H new ATOM 0 HA ASN A 15 -19.508 -1.651 5.561 1.00 42.11 H new ATOM 0 HB2 ASN A 15 -18.600 -3.833 4.917 1.00 74.52 H new ATOM 0 HB3 ASN A 15 -17.754 -3.979 6.444 1.00 74.52 H new ATOM 0 HD21 ASN A 15 -21.893 -4.141 6.888 1.00 55.30 H new ATOM 0 HD22 ASN A 15 -21.126 -2.754 6.107 1.00 55.30 H new ATOM 241 N GLY A 16 -17.793 -1.637 8.384 1.00 73.03 N ATOM 242 CA GLY A 16 -17.830 -1.365 9.820 1.00 51.23 C ATOM 243 C GLY A 16 -16.666 -2.040 10.532 1.00 14.11 C ATOM 244 O GLY A 16 -16.544 -1.947 11.753 1.00 63.33 O ATOM 0 H GLY A 16 -16.860 -1.860 8.037 1.00 73.03 H new ATOM 0 HA2 GLY A 16 -17.792 -0.289 9.991 1.00 51.23 H new ATOM 0 HA3 GLY A 16 -18.772 -1.721 10.237 1.00 51.23 H new ATOM 248 N LYS A 17 -15.797 -2.718 9.744 1.00 13.10 N ATOM 249 CA LYS A 17 -14.629 -3.451 10.251 1.00 63.52 C ATOM 250 C LYS A 17 -13.347 -2.855 9.653 1.00 34.43 C ATOM 251 O LYS A 17 -13.387 -2.137 8.641 1.00 62.43 O ATOM 252 CB LYS A 17 -14.727 -4.953 9.877 1.00 1.25 C ATOM 253 CG LYS A 17 -16.018 -5.656 10.355 1.00 4.12 C ATOM 254 CD LYS A 17 -16.016 -7.181 10.081 1.00 22.21 C ATOM 255 CE LYS A 17 -14.895 -7.910 10.839 1.00 4.20 C ATOM 256 NZ LYS A 17 -14.903 -9.372 10.586 1.00 62.20 N ATOM 0 H LYS A 17 -15.895 -2.767 8.730 1.00 13.10 H new ATOM 0 HA LYS A 17 -14.603 -3.361 11.337 1.00 63.52 H new ATOM 0 HB2 LYS A 17 -14.658 -5.049 8.793 1.00 1.25 H new ATOM 0 HB3 LYS A 17 -13.868 -5.475 10.299 1.00 1.25 H new ATOM 0 HG2 LYS A 17 -16.143 -5.485 11.424 1.00 4.12 H new ATOM 0 HG3 LYS A 17 -16.876 -5.204 9.857 1.00 4.12 H new ATOM 0 HD2 LYS A 17 -16.979 -7.601 10.370 1.00 22.21 H new ATOM 0 HD3 LYS A 17 -15.901 -7.355 9.011 1.00 22.21 H new ATOM 0 HE2 LYS A 17 -13.931 -7.497 10.542 1.00 4.20 H new ATOM 0 HE3 LYS A 17 -15.004 -7.728 11.908 1.00 4.20 H new ATOM 0 HZ1 LYS A 17 -14.130 -9.821 11.118 1.00 62.20 H new ATOM 0 HZ2 LYS A 17 -15.812 -9.772 10.893 1.00 62.20 H new ATOM 0 HZ3 LYS A 17 -14.772 -9.549 9.570 1.00 62.20 H new ATOM 270 N THR A 18 -12.214 -3.175 10.292 1.00 41.23 N ATOM 271 CA THR A 18 -10.883 -2.779 9.836 1.00 43.44 C ATOM 272 C THR A 18 -10.073 -4.051 9.520 1.00 63.13 C ATOM 273 O THR A 18 -9.795 -4.866 10.412 1.00 74.22 O ATOM 274 CB THR A 18 -10.164 -1.903 10.916 1.00 10.25 C ATOM 275 OG1 THR A 18 -11.042 -0.839 11.330 1.00 61.32 O ATOM 276 CG2 THR A 18 -8.859 -1.292 10.387 1.00 54.21 C ATOM 0 H THR A 18 -12.200 -3.724 11.152 1.00 41.23 H new ATOM 0 HA THR A 18 -10.967 -2.172 8.935 1.00 43.44 H new ATOM 0 HB THR A 18 -9.918 -2.552 11.756 1.00 10.25 H new ATOM 0 HG1 THR A 18 -10.594 -0.290 12.007 1.00 61.32 H new ATOM 0 HG21 THR A 18 -8.394 -0.692 11.170 1.00 54.21 H new ATOM 0 HG22 THR A 18 -8.179 -2.090 10.089 1.00 54.21 H new ATOM 0 HG23 THR A 18 -9.076 -0.659 9.526 1.00 54.21 H new ATOM 284 N TYR A 19 -9.728 -4.223 8.237 1.00 53.25 N ATOM 285 CA TYR A 19 -9.049 -5.417 7.718 1.00 41.43 C ATOM 286 C TYR A 19 -7.570 -5.044 7.560 1.00 31.41 C ATOM 287 O TYR A 19 -7.197 -4.354 6.600 1.00 72.21 O ATOM 288 CB TYR A 19 -9.679 -5.849 6.353 1.00 13.41 C ATOM 289 CG TYR A 19 -11.219 -5.769 6.323 1.00 2.51 C ATOM 290 CD1 TYR A 19 -11.872 -4.566 6.023 1.00 53.52 C ATOM 291 CD2 TYR A 19 -12.016 -6.875 6.614 1.00 52.13 C ATOM 292 CE1 TYR A 19 -13.243 -4.473 6.015 1.00 63.43 C ATOM 293 CE2 TYR A 19 -13.401 -6.778 6.609 1.00 21.33 C ATOM 294 CZ TYR A 19 -14.006 -5.581 6.306 1.00 43.41 C ATOM 295 OH TYR A 19 -15.385 -5.482 6.320 1.00 73.43 O ATOM 0 H TYR A 19 -9.916 -3.524 7.518 1.00 53.25 H new ATOM 0 HA TYR A 19 -9.157 -6.265 8.394 1.00 41.43 H new ATOM 0 HB2 TYR A 19 -9.277 -5.216 5.562 1.00 13.41 H new ATOM 0 HB3 TYR A 19 -9.374 -6.871 6.130 1.00 13.41 H new ATOM 0 HD1 TYR A 19 -11.283 -3.690 5.792 1.00 53.52 H new ATOM 0 HD2 TYR A 19 -11.549 -7.821 6.847 1.00 52.13 H new ATOM 0 HE1 TYR A 19 -13.721 -3.533 5.781 1.00 63.43 H new ATOM 0 HE2 TYR A 19 -14.003 -7.643 6.843 1.00 21.33 H new ATOM 0 HH TYR A 19 -15.645 -4.540 6.392 1.00 73.43 H new ATOM 305 N GLU A 20 -6.753 -5.458 8.534 1.00 1.33 N ATOM 306 CA GLU A 20 -5.336 -5.072 8.620 1.00 62.21 C ATOM 307 C GLU A 20 -4.464 -6.291 8.927 1.00 2.02 C ATOM 308 O GLU A 20 -4.888 -7.207 9.652 1.00 33.21 O ATOM 309 CB GLU A 20 -5.144 -3.967 9.700 1.00 42.13 C ATOM 310 CG GLU A 20 -5.623 -4.331 11.126 1.00 64.43 C ATOM 311 CD GLU A 20 -5.412 -3.185 12.136 1.00 13.24 C ATOM 312 OE1 GLU A 20 -4.290 -3.055 12.673 1.00 14.02 O ATOM 313 OE2 GLU A 20 -6.361 -2.406 12.385 1.00 44.32 O ATOM 0 H GLU A 20 -7.055 -6.073 9.290 1.00 1.33 H new ATOM 0 HA GLU A 20 -5.025 -4.669 7.656 1.00 62.21 H new ATOM 0 HB2 GLU A 20 -4.086 -3.711 9.747 1.00 42.13 H new ATOM 0 HB3 GLU A 20 -5.675 -3.072 9.376 1.00 42.13 H new ATOM 0 HG2 GLU A 20 -6.681 -4.591 11.094 1.00 64.43 H new ATOM 0 HG3 GLU A 20 -5.087 -5.216 11.470 1.00 64.43 H new ATOM 320 N ARG A 21 -3.250 -6.294 8.353 1.00 11.14 N ATOM 321 CA ARG A 21 -2.276 -7.385 8.513 1.00 54.23 C ATOM 322 C ARG A 21 -0.902 -6.936 7.989 1.00 61.11 C ATOM 323 O ARG A 21 -0.822 -6.161 7.036 1.00 54.43 O ATOM 324 CB ARG A 21 -2.777 -8.673 7.782 1.00 41.40 C ATOM 325 CG ARG A 21 -1.796 -9.869 7.794 1.00 34.24 C ATOM 326 CD ARG A 21 -2.469 -11.197 7.398 1.00 31.34 C ATOM 327 NE ARG A 21 -3.485 -11.606 8.394 1.00 61.43 N ATOM 328 CZ ARG A 21 -3.492 -12.766 9.079 1.00 2.11 C ATOM 329 NH1 ARG A 21 -2.549 -13.683 8.887 1.00 32.24 N ATOM 330 NH2 ARG A 21 -4.443 -12.998 9.973 1.00 54.11 N ATOM 0 H ARG A 21 -2.915 -5.534 7.761 1.00 11.14 H new ATOM 0 HA ARG A 21 -2.174 -7.627 9.571 1.00 54.23 H new ATOM 0 HB2 ARG A 21 -3.714 -8.989 8.241 1.00 41.40 H new ATOM 0 HB3 ARG A 21 -3.000 -8.418 6.746 1.00 41.40 H new ATOM 0 HG2 ARG A 21 -0.973 -9.665 7.108 1.00 34.24 H new ATOM 0 HG3 ARG A 21 -1.364 -9.969 8.790 1.00 34.24 H new ATOM 0 HD2 ARG A 21 -2.938 -11.091 6.420 1.00 31.34 H new ATOM 0 HD3 ARG A 21 -1.713 -11.977 7.306 1.00 31.34 H new ATOM 0 HE ARG A 21 -4.246 -10.952 8.578 1.00 61.43 H new ATOM 0 HH11 ARG A 21 -1.803 -13.514 8.212 1.00 32.24 H new ATOM 0 HH12 ARG A 21 -2.571 -14.555 9.415 1.00 32.24 H new ATOM 0 HH21 ARG A 21 -5.167 -12.299 10.141 1.00 54.11 H new ATOM 0 HH22 ARG A 21 -4.451 -13.875 10.493 1.00 54.11 H new ATOM 344 N THR A 22 0.169 -7.402 8.654 1.00 41.22 N ATOM 345 CA THR A 22 1.555 -7.147 8.244 1.00 53.43 C ATOM 346 C THR A 22 2.003 -8.232 7.237 1.00 11.22 C ATOM 347 O THR A 22 2.175 -9.397 7.612 1.00 54.41 O ATOM 348 CB THR A 22 2.486 -7.142 9.504 1.00 41.34 C ATOM 349 OG1 THR A 22 1.960 -6.239 10.496 1.00 62.22 O ATOM 350 CG2 THR A 22 3.930 -6.736 9.164 1.00 22.34 C ATOM 0 H THR A 22 0.093 -7.970 9.498 1.00 41.22 H new ATOM 0 HA THR A 22 1.623 -6.172 7.761 1.00 53.43 H new ATOM 0 HB THR A 22 2.509 -8.161 9.891 1.00 41.34 H new ATOM 0 HG1 THR A 22 2.545 -6.240 11.282 1.00 62.22 H new ATOM 0 HG21 THR A 22 4.534 -6.748 10.071 1.00 22.34 H new ATOM 0 HG22 THR A 22 4.345 -7.439 8.442 1.00 22.34 H new ATOM 0 HG23 THR A 22 3.935 -5.733 8.738 1.00 22.34 H new ATOM 358 N TYR A 23 2.151 -7.840 5.958 1.00 71.15 N ATOM 359 CA TYR A 23 2.539 -8.749 4.860 1.00 63.24 C ATOM 360 C TYR A 23 4.053 -8.624 4.600 1.00 73.33 C ATOM 361 O TYR A 23 4.552 -7.525 4.389 1.00 73.23 O ATOM 362 CB TYR A 23 1.751 -8.413 3.558 1.00 31.23 C ATOM 363 CG TYR A 23 0.223 -8.369 3.730 1.00 4.23 C ATOM 364 CD1 TYR A 23 -0.561 -9.524 3.610 1.00 14.03 C ATOM 365 CD2 TYR A 23 -0.434 -7.171 4.013 1.00 73.33 C ATOM 366 CE1 TYR A 23 -1.937 -9.470 3.769 1.00 12.35 C ATOM 367 CE2 TYR A 23 -1.800 -7.119 4.174 1.00 14.43 C ATOM 368 CZ TYR A 23 -2.546 -8.265 4.051 1.00 75.22 C ATOM 369 OH TYR A 23 -3.909 -8.204 4.227 1.00 63.33 O ATOM 0 H TYR A 23 2.004 -6.878 5.654 1.00 71.15 H new ATOM 0 HA TYR A 23 2.299 -9.771 5.152 1.00 63.24 H new ATOM 0 HB2 TYR A 23 2.090 -7.447 3.183 1.00 31.23 H new ATOM 0 HB3 TYR A 23 1.997 -9.155 2.798 1.00 31.23 H new ATOM 0 HD1 TYR A 23 -0.087 -10.469 3.391 1.00 14.03 H new ATOM 0 HD2 TYR A 23 0.143 -6.263 4.108 1.00 73.33 H new ATOM 0 HE1 TYR A 23 -2.530 -10.368 3.672 1.00 12.35 H new ATOM 0 HE2 TYR A 23 -2.284 -6.179 4.396 1.00 14.43 H new ATOM 0 HH TYR A 23 -4.126 -7.480 4.851 1.00 63.33 H new ATOM 379 N GLN A 24 4.755 -9.760 4.578 1.00 0.03 N ATOM 380 CA GLN A 24 6.219 -9.802 4.420 1.00 4.13 C ATOM 381 C GLN A 24 6.542 -9.984 2.925 1.00 22.11 C ATOM 382 O GLN A 24 6.296 -11.053 2.348 1.00 74.44 O ATOM 383 CB GLN A 24 6.840 -10.942 5.286 1.00 41.33 C ATOM 384 CG GLN A 24 6.722 -10.744 6.824 1.00 73.21 C ATOM 385 CD GLN A 24 5.294 -10.848 7.378 1.00 43.01 C ATOM 386 OE1 GLN A 24 4.466 -11.613 6.876 1.00 10.12 O ATOM 387 NE2 GLN A 24 4.986 -10.077 8.409 1.00 0.34 N ATOM 0 H GLN A 24 4.327 -10.681 4.669 1.00 0.03 H new ATOM 0 HA GLN A 24 6.659 -8.868 4.771 1.00 4.13 H new ATOM 0 HB2 GLN A 24 6.359 -11.883 5.019 1.00 41.33 H new ATOM 0 HB3 GLN A 24 7.895 -11.039 5.028 1.00 41.33 H new ATOM 0 HG2 GLN A 24 7.345 -11.488 7.321 1.00 73.21 H new ATOM 0 HG3 GLN A 24 7.127 -9.766 7.082 1.00 73.21 H new ATOM 0 HE21 GLN A 24 5.688 -9.453 8.807 1.00 0.34 H new ATOM 0 HE22 GLN A 24 4.047 -10.107 8.806 1.00 0.34 H new ATOM 396 N LEU A 25 7.070 -8.914 2.310 1.00 54.25 N ATOM 397 CA LEU A 25 7.359 -8.838 0.867 1.00 25.42 C ATOM 398 C LEU A 25 8.867 -8.584 0.657 1.00 21.44 C ATOM 399 O LEU A 25 9.357 -7.488 0.936 1.00 44.41 O ATOM 400 CB LEU A 25 6.512 -7.695 0.211 1.00 42.32 C ATOM 401 CG LEU A 25 4.960 -7.786 0.392 1.00 55.21 C ATOM 402 CD1 LEU A 25 4.237 -6.595 -0.276 1.00 14.12 C ATOM 403 CD2 LEU A 25 4.409 -9.131 -0.129 1.00 43.53 C ATOM 0 H LEU A 25 7.313 -8.060 2.811 1.00 54.25 H new ATOM 0 HA LEU A 25 7.090 -9.781 0.392 1.00 25.42 H new ATOM 0 HB2 LEU A 25 6.848 -6.743 0.621 1.00 42.32 H new ATOM 0 HB3 LEU A 25 6.731 -7.678 -0.857 1.00 42.32 H new ATOM 0 HG LEU A 25 4.758 -7.735 1.462 1.00 55.21 H new ATOM 0 HD11 LEU A 25 3.161 -6.693 -0.129 1.00 14.12 H new ATOM 0 HD12 LEU A 25 4.581 -5.663 0.172 1.00 14.12 H new ATOM 0 HD13 LEU A 25 4.458 -6.587 -1.343 1.00 14.12 H new ATOM 0 HD21 LEU A 25 3.329 -9.161 0.012 1.00 43.53 H new ATOM 0 HD22 LEU A 25 4.639 -9.232 -1.190 1.00 43.53 H new ATOM 0 HD23 LEU A 25 4.870 -9.951 0.422 1.00 43.53 H new ATOM 415 N TYR A 26 9.608 -9.615 0.210 1.00 55.20 N ATOM 416 CA TYR A 26 11.039 -9.481 -0.134 1.00 24.01 C ATOM 417 C TYR A 26 11.204 -9.230 -1.640 1.00 74.02 C ATOM 418 O TYR A 26 10.500 -9.831 -2.454 1.00 73.44 O ATOM 419 CB TYR A 26 11.848 -10.746 0.282 1.00 52.23 C ATOM 420 CG TYR A 26 13.314 -10.740 -0.213 1.00 12.01 C ATOM 421 CD1 TYR A 26 14.248 -9.831 0.297 1.00 25.42 C ATOM 422 CD2 TYR A 26 13.752 -11.616 -1.219 1.00 41.12 C ATOM 423 CE1 TYR A 26 15.549 -9.798 -0.166 1.00 54.12 C ATOM 424 CE2 TYR A 26 15.055 -11.587 -1.677 1.00 70.13 C ATOM 425 CZ TYR A 26 15.946 -10.672 -1.150 1.00 53.32 C ATOM 426 OH TYR A 26 17.248 -10.637 -1.612 1.00 3.51 O ATOM 0 H TYR A 26 9.238 -10.556 0.077 1.00 55.20 H new ATOM 0 HA TYR A 26 11.433 -8.629 0.420 1.00 24.01 H new ATOM 0 HB2 TYR A 26 11.842 -10.829 1.369 1.00 52.23 H new ATOM 0 HB3 TYR A 26 11.346 -11.631 -0.108 1.00 52.23 H new ATOM 0 HD1 TYR A 26 13.945 -9.140 1.070 1.00 25.42 H new ATOM 0 HD2 TYR A 26 13.057 -12.326 -1.643 1.00 41.12 H new ATOM 0 HE1 TYR A 26 16.252 -9.088 0.244 1.00 54.12 H new ATOM 0 HE2 TYR A 26 15.376 -12.277 -2.444 1.00 70.13 H new ATOM 0 HH TYR A 26 17.367 -11.319 -2.306 1.00 3.51 H new ATOM 436 N ALA A 27 12.173 -8.365 -1.991 1.00 72.11 N ATOM 437 CA ALA A 27 12.546 -8.092 -3.380 1.00 0.10 C ATOM 438 C ALA A 27 14.038 -7.756 -3.472 1.00 24.12 C ATOM 439 O ALA A 27 14.627 -7.207 -2.532 1.00 52.14 O ATOM 440 CB ALA A 27 11.696 -6.951 -3.943 1.00 4.52 C ATOM 0 H ALA A 27 12.719 -7.836 -1.311 1.00 72.11 H new ATOM 0 HA ALA A 27 12.359 -8.984 -3.977 1.00 0.10 H new ATOM 0 HB1 ALA A 27 11.984 -6.759 -4.977 1.00 4.52 H new ATOM 0 HB2 ALA A 27 10.643 -7.229 -3.906 1.00 4.52 H new ATOM 0 HB3 ALA A 27 11.855 -6.051 -3.349 1.00 4.52 H new ATOM 446 N VAL A 28 14.629 -8.111 -4.619 1.00 14.54 N ATOM 447 CA VAL A 28 16.027 -7.803 -4.971 1.00 2.42 C ATOM 448 C VAL A 28 16.099 -6.394 -5.618 1.00 23.32 C ATOM 449 O VAL A 28 17.151 -5.753 -5.647 1.00 22.22 O ATOM 450 CB VAL A 28 16.594 -8.911 -5.948 1.00 1.02 C ATOM 451 CG1 VAL A 28 18.068 -8.656 -6.339 1.00 1.11 C ATOM 452 CG2 VAL A 28 16.414 -10.331 -5.341 1.00 21.32 C ATOM 0 H VAL A 28 14.141 -8.632 -5.347 1.00 14.54 H new ATOM 0 HA VAL A 28 16.642 -7.801 -4.071 1.00 2.42 H new ATOM 0 HB VAL A 28 16.011 -8.852 -6.867 1.00 1.02 H new ATOM 0 HG11 VAL A 28 18.408 -9.445 -7.010 1.00 1.11 H new ATOM 0 HG12 VAL A 28 18.150 -7.692 -6.841 1.00 1.11 H new ATOM 0 HG13 VAL A 28 18.687 -8.651 -5.442 1.00 1.11 H new ATOM 0 HG21 VAL A 28 16.811 -11.075 -6.031 1.00 21.32 H new ATOM 0 HG22 VAL A 28 16.950 -10.392 -4.394 1.00 21.32 H new ATOM 0 HG23 VAL A 28 15.354 -10.523 -5.172 1.00 21.32 H new ATOM 462 N ARG A 29 14.956 -5.934 -6.150 1.00 30.21 N ATOM 463 CA ARG A 29 14.777 -4.555 -6.645 1.00 72.24 C ATOM 464 C ARG A 29 13.467 -4.003 -6.054 1.00 50.24 C ATOM 465 O ARG A 29 12.487 -4.740 -5.961 1.00 52.33 O ATOM 466 CB ARG A 29 14.702 -4.511 -8.201 1.00 24.32 C ATOM 467 CG ARG A 29 15.898 -5.141 -8.953 1.00 21.22 C ATOM 468 CD ARG A 29 15.664 -5.218 -10.477 1.00 41.31 C ATOM 469 NE ARG A 29 15.495 -3.883 -11.094 1.00 21.22 N ATOM 470 CZ ARG A 29 14.483 -3.516 -11.910 1.00 2.52 C ATOM 471 NH1 ARG A 29 13.507 -4.362 -12.228 1.00 40.21 N ATOM 472 NH2 ARG A 29 14.450 -2.281 -12.397 1.00 2.25 N ATOM 0 H ARG A 29 14.121 -6.512 -6.251 1.00 30.21 H new ATOM 0 HA ARG A 29 15.632 -3.953 -6.338 1.00 72.24 H new ATOM 0 HB2 ARG A 29 13.791 -5.020 -8.516 1.00 24.32 H new ATOM 0 HB3 ARG A 29 14.610 -3.470 -8.512 1.00 24.32 H new ATOM 0 HG2 ARG A 29 16.796 -4.556 -8.756 1.00 21.22 H new ATOM 0 HG3 ARG A 29 16.079 -6.143 -8.565 1.00 21.22 H new ATOM 0 HD2 ARG A 29 16.507 -5.727 -10.945 1.00 41.31 H new ATOM 0 HD3 ARG A 29 14.778 -5.821 -10.675 1.00 41.31 H new ATOM 0 HE ARG A 29 16.204 -3.180 -10.885 1.00 21.22 H new ATOM 0 HH11 ARG A 29 13.512 -5.311 -11.854 1.00 40.21 H new ATOM 0 HH12 ARG A 29 12.753 -4.062 -12.846 1.00 40.21 H new ATOM 0 HH21 ARG A 29 15.185 -1.617 -12.154 1.00 2.25 H new ATOM 0 HH22 ARG A 29 13.689 -1.996 -13.014 1.00 2.25 H new ATOM 486 N ASP A 30 13.445 -2.715 -5.679 1.00 14.53 N ATOM 487 CA ASP A 30 12.208 -2.041 -5.203 1.00 63.15 C ATOM 488 C ASP A 30 11.145 -1.967 -6.331 1.00 51.13 C ATOM 489 O ASP A 30 9.949 -1.813 -6.052 1.00 35.05 O ATOM 490 CB ASP A 30 12.535 -0.636 -4.609 1.00 15.53 C ATOM 491 CG ASP A 30 13.399 0.250 -5.527 1.00 43.23 C ATOM 492 OD1 ASP A 30 14.635 0.039 -5.575 1.00 34.14 O ATOM 493 OD2 ASP A 30 12.862 1.143 -6.216 1.00 63.01 O ATOM 0 H ASP A 30 14.267 -2.111 -5.693 1.00 14.53 H new ATOM 0 HA ASP A 30 11.778 -2.638 -4.399 1.00 63.15 H new ATOM 0 HB2 ASP A 30 11.600 -0.117 -4.396 1.00 15.53 H new ATOM 0 HB3 ASP A 30 13.051 -0.767 -3.658 1.00 15.53 H new ATOM 498 N GLU A 31 11.596 -2.117 -7.599 1.00 51.45 N ATOM 499 CA GLU A 31 10.700 -2.270 -8.767 1.00 13.15 C ATOM 500 C GLU A 31 9.918 -3.605 -8.715 1.00 12.24 C ATOM 501 O GLU A 31 8.769 -3.657 -9.159 1.00 23.13 O ATOM 502 CB GLU A 31 11.499 -2.170 -10.099 1.00 70.01 C ATOM 503 CG GLU A 31 11.998 -0.755 -10.457 1.00 32.41 C ATOM 504 CD GLU A 31 10.871 0.254 -10.744 1.00 4.15 C ATOM 505 OE1 GLU A 31 10.095 0.038 -11.705 1.00 42.53 O ATOM 506 OE2 GLU A 31 10.762 1.276 -10.021 1.00 33.24 O ATOM 0 H GLU A 31 12.587 -2.135 -7.839 1.00 51.45 H new ATOM 0 HA GLU A 31 9.979 -1.454 -8.728 1.00 13.15 H new ATOM 0 HB2 GLU A 31 12.359 -2.838 -10.040 1.00 70.01 H new ATOM 0 HB3 GLU A 31 10.869 -2.533 -10.911 1.00 70.01 H new ATOM 0 HG2 GLU A 31 12.609 -0.378 -9.636 1.00 32.41 H new ATOM 0 HG3 GLU A 31 12.645 -0.820 -11.332 1.00 32.41 H new ATOM 513 N GLU A 32 10.534 -4.679 -8.164 1.00 65.42 N ATOM 514 CA GLU A 32 9.860 -6.000 -8.021 1.00 22.13 C ATOM 515 C GLU A 32 8.732 -5.919 -6.974 1.00 34.42 C ATOM 516 O GLU A 32 7.779 -6.697 -7.016 1.00 22.32 O ATOM 517 CB GLU A 32 10.847 -7.135 -7.608 1.00 2.43 C ATOM 518 CG GLU A 32 12.175 -7.195 -8.383 1.00 15.43 C ATOM 519 CD GLU A 32 12.015 -7.222 -9.908 1.00 51.24 C ATOM 520 OE1 GLU A 32 11.732 -8.299 -10.474 1.00 52.14 O ATOM 521 OE2 GLU A 32 12.166 -6.165 -10.552 1.00 21.22 O ATOM 0 H GLU A 32 11.491 -4.661 -7.812 1.00 65.42 H new ATOM 0 HA GLU A 32 9.452 -6.245 -9.002 1.00 22.13 H new ATOM 0 HB2 GLU A 32 11.074 -7.023 -6.548 1.00 2.43 H new ATOM 0 HB3 GLU A 32 10.338 -8.092 -7.726 1.00 2.43 H new ATOM 0 HG2 GLU A 32 12.782 -6.332 -8.108 1.00 15.43 H new ATOM 0 HG3 GLU A 32 12.724 -8.083 -8.071 1.00 15.43 H new ATOM 528 N LEU A 33 8.872 -4.970 -6.033 1.00 34.22 N ATOM 529 CA LEU A 33 7.915 -4.775 -4.926 1.00 3.20 C ATOM 530 C LEU A 33 6.579 -4.178 -5.440 1.00 42.11 C ATOM 531 O LEU A 33 5.536 -4.400 -4.829 1.00 1.13 O ATOM 532 CB LEU A 33 8.559 -3.877 -3.807 1.00 61.52 C ATOM 533 CG LEU A 33 8.357 -4.346 -2.319 1.00 71.11 C ATOM 534 CD1 LEU A 33 6.873 -4.380 -1.897 1.00 31.13 C ATOM 535 CD2 LEU A 33 9.031 -5.714 -2.061 1.00 73.44 C ATOM 0 H LEU A 33 9.653 -4.314 -6.017 1.00 34.22 H new ATOM 0 HA LEU A 33 7.683 -5.747 -4.490 1.00 3.20 H new ATOM 0 HB2 LEU A 33 9.630 -3.809 -4.000 1.00 61.52 H new ATOM 0 HB3 LEU A 33 8.153 -2.870 -3.904 1.00 61.52 H new ATOM 0 HG LEU A 33 8.846 -3.597 -1.696 1.00 71.11 H new ATOM 0 HD11 LEU A 33 6.797 -4.711 -0.861 1.00 31.13 H new ATOM 0 HD12 LEU A 33 6.445 -3.382 -1.992 1.00 31.13 H new ATOM 0 HD13 LEU A 33 6.328 -5.071 -2.540 1.00 31.13 H new ATOM 0 HD21 LEU A 33 8.872 -6.008 -1.024 1.00 73.44 H new ATOM 0 HD22 LEU A 33 8.596 -6.464 -2.721 1.00 73.44 H new ATOM 0 HD23 LEU A 33 10.101 -5.635 -2.256 1.00 73.44 H new ATOM 547 N LYS A 34 6.632 -3.459 -6.581 1.00 41.55 N ATOM 548 CA LYS A 34 5.461 -2.765 -7.175 1.00 33.13 C ATOM 549 C LYS A 34 4.290 -3.730 -7.457 1.00 42.34 C ATOM 550 O LYS A 34 3.162 -3.483 -7.014 1.00 51.02 O ATOM 551 CB LYS A 34 5.880 -2.041 -8.482 1.00 11.41 C ATOM 552 CG LYS A 34 6.951 -0.953 -8.276 1.00 5.01 C ATOM 553 CD LYS A 34 7.515 -0.400 -9.598 1.00 3.10 C ATOM 554 CE LYS A 34 6.472 0.291 -10.480 1.00 75.14 C ATOM 555 NZ LYS A 34 7.064 0.764 -11.761 1.00 41.20 N ATOM 0 H LYS A 34 7.489 -3.341 -7.121 1.00 41.55 H new ATOM 0 HA LYS A 34 5.111 -2.034 -6.446 1.00 33.13 H new ATOM 0 HB2 LYS A 34 6.257 -2.779 -9.190 1.00 11.41 H new ATOM 0 HB3 LYS A 34 4.998 -1.588 -8.934 1.00 11.41 H new ATOM 0 HG2 LYS A 34 6.521 -0.133 -7.701 1.00 5.01 H new ATOM 0 HG3 LYS A 34 7.768 -1.364 -7.683 1.00 5.01 H new ATOM 0 HD2 LYS A 34 8.312 0.309 -9.373 1.00 3.10 H new ATOM 0 HD3 LYS A 34 7.966 -1.219 -10.159 1.00 3.10 H new ATOM 0 HE2 LYS A 34 5.656 -0.401 -10.689 1.00 75.14 H new ATOM 0 HE3 LYS A 34 6.043 1.137 -9.943 1.00 75.14 H new ATOM 0 HZ1 LYS A 34 6.793 1.755 -11.924 1.00 41.20 H new ATOM 0 HZ2 LYS A 34 8.100 0.692 -11.712 1.00 41.20 H new ATOM 0 HZ3 LYS A 34 6.713 0.176 -12.544 1.00 41.20 H new ATOM 569 N GLU A 35 4.584 -4.836 -8.178 1.00 14.52 N ATOM 570 CA GLU A 35 3.579 -5.865 -8.525 1.00 55.45 C ATOM 571 C GLU A 35 2.982 -6.522 -7.268 1.00 30.55 C ATOM 572 O GLU A 35 1.795 -6.841 -7.240 1.00 22.41 O ATOM 573 CB GLU A 35 4.196 -6.956 -9.447 1.00 54.32 C ATOM 574 CG GLU A 35 5.332 -7.780 -8.799 1.00 72.34 C ATOM 575 CD GLU A 35 5.858 -8.918 -9.681 1.00 53.41 C ATOM 576 OE1 GLU A 35 5.106 -9.889 -9.910 1.00 35.01 O ATOM 577 OE2 GLU A 35 7.031 -8.871 -10.113 1.00 31.13 O ATOM 0 H GLU A 35 5.518 -5.039 -8.533 1.00 14.52 H new ATOM 0 HA GLU A 35 2.776 -5.360 -9.061 1.00 55.45 H new ATOM 0 HB2 GLU A 35 3.405 -7.637 -9.761 1.00 54.32 H new ATOM 0 HB3 GLU A 35 4.581 -6.477 -10.347 1.00 54.32 H new ATOM 0 HG2 GLU A 35 6.158 -7.112 -8.555 1.00 72.34 H new ATOM 0 HG3 GLU A 35 4.972 -8.199 -7.859 1.00 72.34 H new ATOM 584 N LYS A 36 3.832 -6.690 -6.230 1.00 13.44 N ATOM 585 CA LYS A 36 3.452 -7.336 -4.963 1.00 74.22 C ATOM 586 C LYS A 36 2.410 -6.484 -4.233 1.00 74.45 C ATOM 587 O LYS A 36 1.409 -7.004 -3.761 1.00 3.31 O ATOM 588 CB LYS A 36 4.693 -7.551 -4.057 1.00 34.14 C ATOM 589 CG LYS A 36 5.835 -8.333 -4.732 1.00 61.24 C ATOM 590 CD LYS A 36 7.082 -8.486 -3.829 1.00 41.45 C ATOM 591 CE LYS A 36 8.260 -9.131 -4.571 1.00 53.21 C ATOM 592 NZ LYS A 36 7.948 -10.508 -5.035 1.00 11.24 N ATOM 0 H LYS A 36 4.803 -6.379 -6.252 1.00 13.44 H new ATOM 0 HA LYS A 36 3.022 -8.311 -5.191 1.00 74.22 H new ATOM 0 HB2 LYS A 36 5.071 -6.579 -3.739 1.00 34.14 H new ATOM 0 HB3 LYS A 36 4.385 -8.083 -3.157 1.00 34.14 H new ATOM 0 HG2 LYS A 36 5.474 -9.322 -5.013 1.00 61.24 H new ATOM 0 HG3 LYS A 36 6.121 -7.825 -5.653 1.00 61.24 H new ATOM 0 HD2 LYS A 36 7.382 -7.506 -3.457 1.00 41.45 H new ATOM 0 HD3 LYS A 36 6.827 -9.092 -2.960 1.00 41.45 H new ATOM 0 HE2 LYS A 36 8.529 -8.513 -5.428 1.00 53.21 H new ATOM 0 HE3 LYS A 36 9.129 -9.160 -3.914 1.00 53.21 H new ATOM 0 HZ1 LYS A 36 8.789 -10.922 -5.485 1.00 11.24 H new ATOM 0 HZ2 LYS A 36 7.667 -11.093 -4.222 1.00 11.24 H new ATOM 0 HZ3 LYS A 36 7.169 -10.474 -5.723 1.00 11.24 H new ATOM 606 N LEU A 37 2.679 -5.161 -4.188 1.00 73.35 N ATOM 607 CA LEU A 37 1.780 -4.155 -3.592 1.00 15.14 C ATOM 608 C LEU A 37 0.410 -4.176 -4.275 1.00 32.14 C ATOM 609 O LEU A 37 -0.608 -4.214 -3.598 1.00 23.30 O ATOM 610 CB LEU A 37 2.407 -2.743 -3.710 1.00 75.50 C ATOM 611 CG LEU A 37 3.717 -2.528 -2.905 1.00 71.23 C ATOM 612 CD1 LEU A 37 4.420 -1.239 -3.340 1.00 33.42 C ATOM 613 CD2 LEU A 37 3.449 -2.532 -1.387 1.00 71.00 C ATOM 0 H LEU A 37 3.536 -4.760 -4.569 1.00 73.35 H new ATOM 0 HA LEU A 37 1.644 -4.400 -2.539 1.00 15.14 H new ATOM 0 HB2 LEU A 37 2.609 -2.540 -4.762 1.00 75.50 H new ATOM 0 HB3 LEU A 37 1.672 -2.009 -3.379 1.00 75.50 H new ATOM 0 HG LEU A 37 4.383 -3.363 -3.122 1.00 71.23 H new ATOM 0 HD11 LEU A 37 5.335 -1.111 -2.762 1.00 33.42 H new ATOM 0 HD12 LEU A 37 4.666 -1.299 -4.400 1.00 33.42 H new ATOM 0 HD13 LEU A 37 3.760 -0.389 -3.168 1.00 33.42 H new ATOM 0 HD21 LEU A 37 4.386 -2.379 -0.852 1.00 71.00 H new ATOM 0 HD22 LEU A 37 2.754 -1.730 -1.138 1.00 71.00 H new ATOM 0 HD23 LEU A 37 3.017 -3.490 -1.096 1.00 71.00 H new ATOM 625 N LYS A 38 0.417 -4.176 -5.629 1.00 5.42 N ATOM 626 CA LYS A 38 -0.809 -4.223 -6.452 1.00 63.21 C ATOM 627 C LYS A 38 -1.646 -5.478 -6.140 1.00 2.33 C ATOM 628 O LYS A 38 -2.857 -5.389 -5.999 1.00 62.24 O ATOM 629 CB LYS A 38 -0.434 -4.189 -7.955 1.00 24.30 C ATOM 630 CG LYS A 38 0.278 -2.891 -8.408 1.00 34.31 C ATOM 631 CD LYS A 38 0.803 -2.974 -9.860 1.00 61.43 C ATOM 632 CE LYS A 38 -0.317 -3.205 -10.889 1.00 62.34 C ATOM 633 NZ LYS A 38 0.214 -3.463 -12.256 1.00 21.31 N ATOM 0 H LYS A 38 1.275 -4.143 -6.179 1.00 5.42 H new ATOM 0 HA LYS A 38 -1.415 -3.350 -6.211 1.00 63.21 H new ATOM 0 HB2 LYS A 38 0.212 -5.039 -8.175 1.00 24.30 H new ATOM 0 HB3 LYS A 38 -1.341 -4.317 -8.546 1.00 24.30 H new ATOM 0 HG2 LYS A 38 -0.414 -2.053 -8.324 1.00 34.31 H new ATOM 0 HG3 LYS A 38 1.111 -2.685 -7.736 1.00 34.31 H new ATOM 0 HD2 LYS A 38 1.329 -2.051 -10.104 1.00 61.43 H new ATOM 0 HD3 LYS A 38 1.529 -3.784 -9.933 1.00 61.43 H new ATOM 0 HE2 LYS A 38 -0.928 -4.051 -10.574 1.00 62.34 H new ATOM 0 HE3 LYS A 38 -0.970 -2.332 -10.914 1.00 62.34 H new ATOM 0 HZ1 LYS A 38 -0.563 -3.762 -12.880 1.00 21.31 H new ATOM 0 HZ2 LYS A 38 0.644 -2.594 -12.631 1.00 21.31 H new ATOM 0 HZ3 LYS A 38 0.932 -4.214 -12.213 1.00 21.31 H new ATOM 647 N LYS A 39 -0.961 -6.627 -6.005 1.00 60.21 N ATOM 648 CA LYS A 39 -1.599 -7.932 -5.738 1.00 50.15 C ATOM 649 C LYS A 39 -2.169 -8.030 -4.305 1.00 33.42 C ATOM 650 O LYS A 39 -3.250 -8.580 -4.121 1.00 60.42 O ATOM 651 CB LYS A 39 -0.590 -9.079 -6.005 1.00 2.25 C ATOM 652 CG LYS A 39 -0.243 -9.295 -7.493 1.00 34.43 C ATOM 653 CD LYS A 39 -1.450 -9.784 -8.330 1.00 13.41 C ATOM 654 CE LYS A 39 -1.121 -9.878 -9.825 1.00 15.33 C ATOM 655 NZ LYS A 39 -0.839 -8.539 -10.393 1.00 13.22 N ATOM 0 H LYS A 39 0.055 -6.679 -6.078 1.00 60.21 H new ATOM 0 HA LYS A 39 -2.445 -8.027 -6.419 1.00 50.15 H new ATOM 0 HB2 LYS A 39 0.329 -8.871 -5.457 1.00 2.25 H new ATOM 0 HB3 LYS A 39 -0.999 -10.006 -5.602 1.00 2.25 H new ATOM 0 HG2 LYS A 39 0.129 -8.361 -7.913 1.00 34.43 H new ATOM 0 HG3 LYS A 39 0.565 -10.023 -7.570 1.00 34.43 H new ATOM 0 HD2 LYS A 39 -1.768 -10.762 -7.968 1.00 13.41 H new ATOM 0 HD3 LYS A 39 -2.289 -9.103 -8.187 1.00 13.41 H new ATOM 0 HE2 LYS A 39 -0.258 -10.528 -9.971 1.00 15.33 H new ATOM 0 HE3 LYS A 39 -1.956 -10.334 -10.357 1.00 15.33 H new ATOM 0 HZ1 LYS A 39 -0.871 -8.589 -11.431 1.00 13.22 H new ATOM 0 HZ2 LYS A 39 -1.553 -7.862 -10.057 1.00 13.22 H new ATOM 0 HZ3 LYS A 39 0.105 -8.225 -10.090 1.00 13.22 H new ATOM 669 N VAL A 40 -1.418 -7.517 -3.303 1.00 72.23 N ATOM 670 CA VAL A 40 -1.877 -7.454 -1.892 1.00 3.15 C ATOM 671 C VAL A 40 -3.092 -6.514 -1.762 1.00 23.12 C ATOM 672 O VAL A 40 -4.058 -6.825 -1.059 1.00 23.31 O ATOM 673 CB VAL A 40 -0.731 -6.962 -0.915 1.00 42.54 C ATOM 674 CG1 VAL A 40 -1.244 -6.800 0.531 1.00 0.32 C ATOM 675 CG2 VAL A 40 0.487 -7.910 -0.937 1.00 44.52 C ATOM 0 H VAL A 40 -0.482 -7.137 -3.446 1.00 72.23 H new ATOM 0 HA VAL A 40 -2.159 -8.467 -1.605 1.00 3.15 H new ATOM 0 HB VAL A 40 -0.413 -5.985 -1.280 1.00 42.54 H new ATOM 0 HG11 VAL A 40 -0.429 -6.461 1.170 1.00 0.32 H new ATOM 0 HG12 VAL A 40 -2.050 -6.066 0.551 1.00 0.32 H new ATOM 0 HG13 VAL A 40 -1.616 -7.758 0.894 1.00 0.32 H new ATOM 0 HG21 VAL A 40 1.250 -7.537 -0.254 1.00 44.52 H new ATOM 0 HG22 VAL A 40 0.177 -8.908 -0.626 1.00 44.52 H new ATOM 0 HG23 VAL A 40 0.895 -7.955 -1.947 1.00 44.52 H new ATOM 685 N LEU A 41 -3.015 -5.367 -2.464 1.00 64.23 N ATOM 686 CA LEU A 41 -4.080 -4.355 -2.482 1.00 31.35 C ATOM 687 C LEU A 41 -5.342 -4.929 -3.134 1.00 14.32 C ATOM 688 O LEU A 41 -6.398 -4.855 -2.543 1.00 31.31 O ATOM 689 CB LEU A 41 -3.592 -3.047 -3.191 1.00 45.32 C ATOM 690 CG LEU A 41 -2.693 -2.123 -2.304 1.00 51.11 C ATOM 691 CD1 LEU A 41 -2.004 -1.022 -3.129 1.00 23.10 C ATOM 692 CD2 LEU A 41 -3.522 -1.512 -1.158 1.00 33.42 C ATOM 0 H LEU A 41 -2.208 -5.119 -3.036 1.00 64.23 H new ATOM 0 HA LEU A 41 -4.332 -4.085 -1.456 1.00 31.35 H new ATOM 0 HB2 LEU A 41 -3.036 -3.321 -4.088 1.00 45.32 H new ATOM 0 HB3 LEU A 41 -4.463 -2.479 -3.517 1.00 45.32 H new ATOM 0 HG LEU A 41 -1.904 -2.742 -1.878 1.00 51.11 H new ATOM 0 HD11 LEU A 41 -1.391 -0.405 -2.472 1.00 23.10 H new ATOM 0 HD12 LEU A 41 -1.373 -1.479 -3.891 1.00 23.10 H new ATOM 0 HD13 LEU A 41 -2.760 -0.400 -3.609 1.00 23.10 H new ATOM 0 HD21 LEU A 41 -2.884 -0.872 -0.549 1.00 33.42 H new ATOM 0 HD22 LEU A 41 -4.338 -0.921 -1.574 1.00 33.42 H new ATOM 0 HD23 LEU A 41 -3.931 -2.311 -0.539 1.00 33.42 H new ATOM 704 N ASN A 42 -5.194 -5.558 -4.316 1.00 11.35 N ATOM 705 CA ASN A 42 -6.317 -6.209 -5.036 1.00 25.41 C ATOM 706 C ASN A 42 -6.912 -7.375 -4.226 1.00 24.12 C ATOM 707 O ASN A 42 -8.112 -7.591 -4.270 1.00 24.42 O ATOM 708 CB ASN A 42 -5.880 -6.689 -6.460 1.00 50.44 C ATOM 709 CG ASN A 42 -6.087 -5.629 -7.550 1.00 13.20 C ATOM 710 OD1 ASN A 42 -7.140 -5.580 -8.184 1.00 42.12 O ATOM 711 ND2 ASN A 42 -5.107 -4.774 -7.779 1.00 42.21 N ATOM 0 H ASN A 42 -4.299 -5.632 -4.800 1.00 11.35 H new ATOM 0 HA ASN A 42 -7.097 -5.457 -5.158 1.00 25.41 H new ATOM 0 HB2 ASN A 42 -4.828 -6.971 -6.433 1.00 50.44 H new ATOM 0 HB3 ASN A 42 -6.444 -7.584 -6.722 1.00 50.44 H new ATOM 0 HD21 ASN A 42 -5.215 -4.054 -8.494 1.00 42.21 H new ATOM 0 HD22 ASN A 42 -4.242 -4.833 -7.241 1.00 42.21 H new ATOM 718 N GLU A 43 -6.057 -8.098 -3.480 1.00 34.45 N ATOM 719 CA GLU A 43 -6.486 -9.225 -2.621 1.00 60.31 C ATOM 720 C GLU A 43 -7.310 -8.700 -1.434 1.00 44.24 C ATOM 721 O GLU A 43 -8.314 -9.304 -1.048 1.00 63.40 O ATOM 722 CB GLU A 43 -5.238 -10.024 -2.137 1.00 53.14 C ATOM 723 CG GLU A 43 -5.518 -11.337 -1.345 1.00 1.40 C ATOM 724 CD GLU A 43 -5.546 -11.177 0.191 1.00 25.43 C ATOM 725 OE1 GLU A 43 -4.510 -10.779 0.768 1.00 62.55 O ATOM 726 OE2 GLU A 43 -6.582 -11.481 0.828 1.00 63.43 O ATOM 0 H GLU A 43 -5.053 -7.921 -3.453 1.00 34.45 H new ATOM 0 HA GLU A 43 -7.120 -9.900 -3.196 1.00 60.31 H new ATOM 0 HB2 GLU A 43 -4.633 -10.274 -3.009 1.00 53.14 H new ATOM 0 HB3 GLU A 43 -4.636 -9.368 -1.509 1.00 53.14 H new ATOM 0 HG2 GLU A 43 -6.476 -11.743 -1.671 1.00 1.40 H new ATOM 0 HG3 GLU A 43 -4.755 -12.071 -1.605 1.00 1.40 H new ATOM 733 N ARG A 44 -6.863 -7.561 -0.872 1.00 65.43 N ATOM 734 CA ARG A 44 -7.525 -6.894 0.261 1.00 32.11 C ATOM 735 C ARG A 44 -8.795 -6.141 -0.194 1.00 63.25 C ATOM 736 O ARG A 44 -9.756 -6.042 0.564 1.00 30.22 O ATOM 737 CB ARG A 44 -6.520 -5.935 0.989 1.00 31.40 C ATOM 738 CG ARG A 44 -6.946 -5.455 2.407 1.00 11.05 C ATOM 739 CD ARG A 44 -6.793 -6.520 3.524 1.00 14.14 C ATOM 740 NE ARG A 44 -7.689 -7.691 3.355 1.00 74.21 N ATOM 741 CZ ARG A 44 -7.288 -8.930 2.988 1.00 72.11 C ATOM 742 NH1 ARG A 44 -6.008 -9.194 2.760 1.00 42.14 N ATOM 743 NH2 ARG A 44 -8.179 -9.894 2.821 1.00 12.05 N ATOM 0 H ARG A 44 -6.026 -7.076 -1.195 1.00 65.43 H new ATOM 0 HA ARG A 44 -7.843 -7.658 0.971 1.00 32.11 H new ATOM 0 HB2 ARG A 44 -5.559 -6.442 1.072 1.00 31.40 H new ATOM 0 HB3 ARG A 44 -6.365 -5.058 0.361 1.00 31.40 H new ATOM 0 HG2 ARG A 44 -6.352 -4.581 2.673 1.00 11.05 H new ATOM 0 HG3 ARG A 44 -7.987 -5.134 2.370 1.00 11.05 H new ATOM 0 HD2 ARG A 44 -5.759 -6.864 3.547 1.00 14.14 H new ATOM 0 HD3 ARG A 44 -6.995 -6.054 4.489 1.00 14.14 H new ATOM 0 HE ARG A 44 -8.684 -7.551 3.529 1.00 74.21 H new ATOM 0 HH11 ARG A 44 -5.310 -8.457 2.861 1.00 42.14 H new ATOM 0 HH12 ARG A 44 -5.722 -10.133 2.484 1.00 42.14 H new ATOM 0 HH21 ARG A 44 -9.170 -9.704 2.969 1.00 12.05 H new ATOM 0 HH22 ARG A 44 -7.875 -10.827 2.544 1.00 12.05 H new ATOM 757 N MET A 45 -8.795 -5.656 -1.455 1.00 43.44 N ATOM 758 CA MET A 45 -9.888 -4.832 -2.035 1.00 42.14 C ATOM 759 C MET A 45 -10.952 -5.686 -2.740 1.00 32.33 C ATOM 760 O MET A 45 -12.054 -5.190 -3.024 1.00 10.22 O ATOM 761 CB MET A 45 -9.311 -3.792 -3.046 1.00 64.02 C ATOM 762 CG MET A 45 -8.534 -2.627 -2.412 1.00 74.13 C ATOM 763 SD MET A 45 -9.584 -1.532 -1.442 1.00 42.31 S ATOM 764 CE MET A 45 -10.712 -0.915 -2.687 1.00 42.21 C ATOM 0 H MET A 45 -8.030 -5.825 -2.109 1.00 43.44 H new ATOM 0 HA MET A 45 -10.367 -4.316 -1.203 1.00 42.14 H new ATOM 0 HB2 MET A 45 -8.652 -4.312 -3.741 1.00 64.02 H new ATOM 0 HB3 MET A 45 -10.134 -3.383 -3.632 1.00 64.02 H new ATOM 0 HG2 MET A 45 -7.746 -3.027 -1.774 1.00 74.13 H new ATOM 0 HG3 MET A 45 -8.046 -2.052 -3.198 1.00 74.13 H new ATOM 0 HE1 MET A 45 -10.653 0.173 -2.725 1.00 42.21 H new ATOM 0 HE2 MET A 45 -10.441 -1.327 -3.659 1.00 42.21 H new ATOM 0 HE3 MET A 45 -11.730 -1.215 -2.437 1.00 42.21 H new ATOM 774 N ASP A 46 -10.623 -6.956 -3.032 1.00 3.42 N ATOM 775 CA ASP A 46 -11.529 -7.836 -3.788 1.00 33.34 C ATOM 776 C ASP A 46 -12.805 -8.197 -2.975 1.00 4.21 C ATOM 777 O ASP A 46 -13.913 -7.978 -3.492 1.00 1.41 O ATOM 778 CB ASP A 46 -10.806 -9.094 -4.337 1.00 2.15 C ATOM 779 CG ASP A 46 -11.647 -9.823 -5.393 1.00 2.33 C ATOM 780 OD1 ASP A 46 -11.616 -9.420 -6.584 1.00 41.45 O ATOM 781 OD2 ASP A 46 -12.362 -10.788 -5.039 1.00 73.22 O ATOM 0 H ASP A 46 -9.743 -7.393 -2.758 1.00 3.42 H new ATOM 0 HA ASP A 46 -11.862 -7.269 -4.657 1.00 33.34 H new ATOM 0 HB2 ASP A 46 -9.850 -8.802 -4.772 1.00 2.15 H new ATOM 0 HB3 ASP A 46 -10.587 -9.775 -3.514 1.00 2.15 H new ATOM 786 N PRO A 47 -12.711 -8.688 -1.677 1.00 4.24 N ATOM 787 CA PRO A 47 -13.924 -8.965 -0.850 1.00 12.10 C ATOM 788 C PRO A 47 -14.735 -7.681 -0.572 1.00 41.34 C ATOM 789 O PRO A 47 -15.939 -7.744 -0.342 1.00 53.24 O ATOM 790 CB PRO A 47 -13.352 -9.565 0.458 1.00 51.45 C ATOM 791 CG PRO A 47 -11.945 -9.051 0.522 1.00 1.11 C ATOM 792 CD PRO A 47 -11.471 -9.014 -0.914 1.00 40.13 C ATOM 0 HA PRO A 47 -14.622 -9.635 -1.351 1.00 12.10 H new ATOM 0 HB2 PRO A 47 -13.930 -9.248 1.326 1.00 51.45 H new ATOM 0 HB3 PRO A 47 -13.376 -10.655 0.439 1.00 51.45 H new ATOM 0 HG2 PRO A 47 -11.908 -8.060 0.975 1.00 1.11 H new ATOM 0 HG3 PRO A 47 -11.315 -9.702 1.128 1.00 1.11 H new ATOM 0 HD2 PRO A 47 -10.697 -8.261 -1.063 1.00 40.13 H new ATOM 0 HD3 PRO A 47 -11.048 -9.970 -1.223 1.00 40.13 H new ATOM 800 N ILE A 48 -14.041 -6.526 -0.649 1.00 23.42 N ATOM 801 CA ILE A 48 -14.597 -5.190 -0.366 1.00 25.44 C ATOM 802 C ILE A 48 -15.580 -4.749 -1.474 1.00 34.13 C ATOM 803 O ILE A 48 -16.542 -4.015 -1.208 1.00 40.33 O ATOM 804 CB ILE A 48 -13.421 -4.154 -0.219 1.00 55.14 C ATOM 805 CG1 ILE A 48 -12.419 -4.610 0.891 1.00 33.32 C ATOM 806 CG2 ILE A 48 -13.915 -2.711 0.020 1.00 0.22 C ATOM 807 CD1 ILE A 48 -13.005 -4.836 2.278 1.00 11.32 C ATOM 0 H ILE A 48 -13.057 -6.498 -0.916 1.00 23.42 H new ATOM 0 HA ILE A 48 -15.156 -5.233 0.569 1.00 25.44 H new ATOM 0 HB ILE A 48 -12.894 -4.135 -1.173 1.00 55.14 H new ATOM 0 HG12 ILE A 48 -11.945 -5.536 0.565 1.00 33.32 H new ATOM 0 HG13 ILE A 48 -11.632 -3.860 0.970 1.00 33.32 H new ATOM 0 HG21 ILE A 48 -13.058 -2.044 0.113 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -14.532 -2.394 -0.821 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -14.504 -2.675 0.936 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -12.215 -5.149 2.960 1.00 11.32 H new ATOM 0 HD12 ILE A 48 -13.451 -3.910 2.640 1.00 11.32 H new ATOM 0 HD13 ILE A 48 -13.769 -5.611 2.228 1.00 11.32 H new ATOM 819 N LYS A 49 -15.332 -5.222 -2.716 1.00 13.04 N ATOM 820 CA LYS A 49 -16.223 -4.962 -3.866 1.00 70.22 C ATOM 821 C LYS A 49 -17.502 -5.794 -3.736 1.00 11.43 C ATOM 822 O LYS A 49 -18.588 -5.331 -4.085 1.00 53.23 O ATOM 823 CB LYS A 49 -15.501 -5.267 -5.201 1.00 64.20 C ATOM 824 CG LYS A 49 -14.323 -4.311 -5.525 1.00 71.40 C ATOM 825 CD LYS A 49 -13.544 -4.751 -6.787 1.00 24.42 C ATOM 826 CE LYS A 49 -12.890 -6.123 -6.598 1.00 24.23 C ATOM 827 NZ LYS A 49 -12.332 -6.694 -7.849 1.00 75.13 N ATOM 0 H LYS A 49 -14.516 -5.789 -2.947 1.00 13.04 H new ATOM 0 HA LYS A 49 -16.493 -3.906 -3.867 1.00 70.22 H new ATOM 0 HB2 LYS A 49 -15.125 -6.290 -5.172 1.00 64.20 H new ATOM 0 HB3 LYS A 49 -16.227 -5.217 -6.012 1.00 64.20 H new ATOM 0 HG2 LYS A 49 -14.706 -3.301 -5.670 1.00 71.40 H new ATOM 0 HG3 LYS A 49 -13.642 -4.274 -4.674 1.00 71.40 H new ATOM 0 HD2 LYS A 49 -14.222 -4.785 -7.640 1.00 24.42 H new ATOM 0 HD3 LYS A 49 -12.778 -4.011 -7.018 1.00 24.42 H new ATOM 0 HE2 LYS A 49 -12.092 -6.037 -5.860 1.00 24.23 H new ATOM 0 HE3 LYS A 49 -13.628 -6.814 -6.191 1.00 24.23 H new ATOM 0 HZ1 LYS A 49 -12.013 -7.668 -7.674 1.00 75.13 H new ATOM 0 HZ2 LYS A 49 -13.065 -6.697 -8.586 1.00 75.13 H new ATOM 0 HZ3 LYS A 49 -11.526 -6.117 -8.165 1.00 75.13 H new ATOM 841 N LYS A 50 -17.350 -7.027 -3.224 1.00 14.40 N ATOM 842 CA LYS A 50 -18.479 -7.914 -2.898 1.00 63.50 C ATOM 843 C LYS A 50 -19.303 -7.333 -1.714 1.00 41.22 C ATOM 844 O LYS A 50 -20.522 -7.518 -1.655 1.00 11.42 O ATOM 845 CB LYS A 50 -17.926 -9.351 -2.624 1.00 70.22 C ATOM 846 CG LYS A 50 -18.972 -10.486 -2.408 1.00 62.43 C ATOM 847 CD LYS A 50 -19.484 -10.612 -0.950 1.00 41.12 C ATOM 848 CE LYS A 50 -18.367 -10.970 0.045 1.00 70.35 C ATOM 849 NZ LYS A 50 -17.794 -12.313 -0.220 1.00 73.33 N ATOM 0 H LYS A 50 -16.438 -7.438 -3.024 1.00 14.40 H new ATOM 0 HA LYS A 50 -19.172 -7.981 -3.737 1.00 63.50 H new ATOM 0 HB2 LYS A 50 -17.289 -9.634 -3.462 1.00 70.22 H new ATOM 0 HB3 LYS A 50 -17.289 -9.305 -1.741 1.00 70.22 H new ATOM 0 HG2 LYS A 50 -19.823 -10.310 -3.066 1.00 62.43 H new ATOM 0 HG3 LYS A 50 -18.528 -11.435 -2.708 1.00 62.43 H new ATOM 0 HD2 LYS A 50 -19.945 -9.671 -0.649 1.00 41.12 H new ATOM 0 HD3 LYS A 50 -20.261 -11.375 -0.907 1.00 41.12 H new ATOM 0 HE2 LYS A 50 -17.577 -10.221 -0.013 1.00 70.35 H new ATOM 0 HE3 LYS A 50 -18.762 -10.939 1.060 1.00 70.35 H new ATOM 0 HZ1 LYS A 50 -17.118 -12.557 0.532 1.00 73.33 H new ATOM 0 HZ2 LYS A 50 -18.558 -13.018 -0.241 1.00 73.33 H new ATOM 0 HZ3 LYS A 50 -17.304 -12.307 -1.137 1.00 73.33 H new ATOM 863 N LEU A 51 -18.623 -6.613 -0.792 1.00 35.32 N ATOM 864 CA LEU A 51 -19.297 -5.887 0.315 1.00 31.03 C ATOM 865 C LEU A 51 -20.028 -4.640 -0.237 1.00 22.22 C ATOM 866 O LEU A 51 -21.115 -4.285 0.230 1.00 11.31 O ATOM 867 CB LEU A 51 -18.282 -5.450 1.420 1.00 21.40 C ATOM 868 CG LEU A 51 -17.484 -6.588 2.142 1.00 64.51 C ATOM 869 CD1 LEU A 51 -16.553 -6.014 3.235 1.00 43.40 C ATOM 870 CD2 LEU A 51 -18.416 -7.676 2.708 1.00 23.15 C ATOM 0 H LEU A 51 -17.607 -6.518 -0.791 1.00 35.32 H new ATOM 0 HA LEU A 51 -20.018 -6.569 0.766 1.00 31.03 H new ATOM 0 HB2 LEU A 51 -17.563 -4.766 0.969 1.00 21.40 H new ATOM 0 HB3 LEU A 51 -18.827 -4.886 2.177 1.00 21.40 H new ATOM 0 HG LEU A 51 -16.856 -7.067 1.391 1.00 64.51 H new ATOM 0 HD11 LEU A 51 -16.013 -6.829 3.718 1.00 43.40 H new ATOM 0 HD12 LEU A 51 -15.841 -5.325 2.781 1.00 43.40 H new ATOM 0 HD13 LEU A 51 -17.148 -5.483 3.978 1.00 43.40 H new ATOM 0 HD21 LEU A 51 -17.821 -8.445 3.200 1.00 23.15 H new ATOM 0 HD22 LEU A 51 -19.100 -7.230 3.430 1.00 23.15 H new ATOM 0 HD23 LEU A 51 -18.988 -8.124 1.895 1.00 23.15 H new ATOM 882 N GLY A 52 -19.406 -3.997 -1.242 1.00 41.00 N ATOM 883 CA GLY A 52 -19.958 -2.802 -1.885 1.00 74.04 C ATOM 884 C GLY A 52 -19.754 -1.528 -1.073 1.00 20.24 C ATOM 885 O GLY A 52 -20.663 -0.688 -0.988 1.00 44.24 O ATOM 0 H GLY A 52 -18.509 -4.294 -1.627 1.00 41.00 H new ATOM 0 HA2 GLY A 52 -19.494 -2.678 -2.864 1.00 74.04 H new ATOM 0 HA3 GLY A 52 -21.025 -2.949 -2.054 1.00 74.04 H new ATOM 889 N CYS A 53 -18.559 -1.394 -0.468 1.00 11.45 N ATOM 890 CA CYS A 53 -18.161 -0.169 0.253 1.00 60.44 C ATOM 891 C CYS A 53 -17.761 0.914 -0.759 1.00 42.03 C ATOM 892 O CYS A 53 -16.734 0.791 -1.420 1.00 13.32 O ATOM 893 CB CYS A 53 -17.003 -0.461 1.231 1.00 3.22 C ATOM 894 SG CYS A 53 -17.467 -1.563 2.599 1.00 10.31 S ATOM 0 H CYS A 53 -17.847 -2.125 -0.464 1.00 11.45 H new ATOM 0 HA CYS A 53 -19.007 0.189 0.840 1.00 60.44 H new ATOM 0 HB2 CYS A 53 -16.177 -0.909 0.679 1.00 3.22 H new ATOM 0 HB3 CYS A 53 -16.639 0.481 1.642 1.00 3.22 H new ATOM 899 N LYS A 54 -18.601 1.959 -0.876 1.00 42.43 N ATOM 900 CA LYS A 54 -18.445 3.038 -1.878 1.00 22.55 C ATOM 901 C LYS A 54 -17.138 3.821 -1.637 1.00 52.20 C ATOM 902 O LYS A 54 -16.339 4.001 -2.553 1.00 30.10 O ATOM 903 CB LYS A 54 -19.693 3.977 -1.836 1.00 14.00 C ATOM 904 CG LYS A 54 -21.046 3.228 -1.947 1.00 13.22 C ATOM 905 CD LYS A 54 -21.213 2.466 -3.288 1.00 52.43 C ATOM 906 CE LYS A 54 -22.384 1.464 -3.273 1.00 61.01 C ATOM 907 NZ LYS A 54 -23.691 2.104 -2.959 1.00 44.44 N ATOM 0 H LYS A 54 -19.415 2.082 -0.274 1.00 42.43 H new ATOM 0 HA LYS A 54 -18.379 2.598 -2.873 1.00 22.55 H new ATOM 0 HB2 LYS A 54 -19.678 4.544 -0.905 1.00 14.00 H new ATOM 0 HB3 LYS A 54 -19.620 4.698 -2.650 1.00 14.00 H new ATOM 0 HG2 LYS A 54 -21.132 2.521 -1.122 1.00 13.22 H new ATOM 0 HG3 LYS A 54 -21.861 3.944 -1.839 1.00 13.22 H new ATOM 0 HD2 LYS A 54 -21.369 3.186 -4.091 1.00 52.43 H new ATOM 0 HD3 LYS A 54 -20.289 1.933 -3.513 1.00 52.43 H new ATOM 0 HE2 LYS A 54 -22.449 0.975 -4.245 1.00 61.01 H new ATOM 0 HE3 LYS A 54 -22.180 0.686 -2.537 1.00 61.01 H new ATOM 0 HZ1 LYS A 54 -24.445 1.389 -2.996 1.00 44.44 H new ATOM 0 HZ2 LYS A 54 -23.654 2.519 -2.006 1.00 44.44 H new ATOM 0 HZ3 LYS A 54 -23.888 2.851 -3.655 1.00 44.44 H new ATOM 921 N ARG A 55 -16.933 4.279 -0.391 1.00 53.22 N ATOM 922 CA ARG A 55 -15.674 4.935 0.035 1.00 64.34 C ATOM 923 C ARG A 55 -14.936 4.023 1.024 1.00 1.35 C ATOM 924 O ARG A 55 -15.540 3.484 1.959 1.00 73.34 O ATOM 925 CB ARG A 55 -15.949 6.324 0.687 1.00 74.42 C ATOM 926 CG ARG A 55 -14.683 7.102 1.150 1.00 52.05 C ATOM 927 CD ARG A 55 -15.009 8.505 1.708 1.00 23.13 C ATOM 928 NE ARG A 55 -13.815 9.198 2.242 1.00 4.14 N ATOM 929 CZ ARG A 55 -13.733 10.525 2.472 1.00 45.33 C ATOM 930 NH1 ARG A 55 -14.760 11.332 2.217 1.00 73.23 N ATOM 931 NH2 ARG A 55 -12.626 11.036 2.994 1.00 25.20 N ATOM 0 H ARG A 55 -17.629 4.208 0.351 1.00 53.22 H new ATOM 0 HA ARG A 55 -15.055 5.101 -0.846 1.00 64.34 H new ATOM 0 HB2 ARG A 55 -16.494 6.941 -0.027 1.00 74.42 H new ATOM 0 HB3 ARG A 55 -16.602 6.180 1.548 1.00 74.42 H new ATOM 0 HG2 ARG A 55 -14.167 6.523 1.916 1.00 52.05 H new ATOM 0 HG3 ARG A 55 -13.996 7.202 0.309 1.00 52.05 H new ATOM 0 HD2 ARG A 55 -15.453 9.111 0.919 1.00 23.13 H new ATOM 0 HD3 ARG A 55 -15.755 8.413 2.498 1.00 23.13 H new ATOM 0 HE ARG A 55 -12.994 8.631 2.452 1.00 4.14 H new ATOM 0 HH11 ARG A 55 -15.628 10.950 1.841 1.00 73.23 H new ATOM 0 HH12 ARG A 55 -14.679 12.333 2.397 1.00 73.23 H new ATOM 0 HH21 ARG A 55 -11.840 10.426 3.220 1.00 25.20 H new ATOM 0 HH22 ARG A 55 -12.560 12.039 3.169 1.00 25.20 H new ATOM 945 N VAL A 56 -13.628 3.862 0.797 1.00 22.45 N ATOM 946 CA VAL A 56 -12.739 3.059 1.648 1.00 11.33 C ATOM 947 C VAL A 56 -11.541 3.911 2.082 1.00 52.53 C ATOM 948 O VAL A 56 -11.095 4.783 1.336 1.00 71.45 O ATOM 949 CB VAL A 56 -12.235 1.768 0.903 1.00 52.02 C ATOM 950 CG1 VAL A 56 -13.405 0.807 0.611 1.00 1.32 C ATOM 951 CG2 VAL A 56 -11.459 2.117 -0.394 1.00 73.24 C ATOM 0 H VAL A 56 -13.149 4.292 0.006 1.00 22.45 H new ATOM 0 HA VAL A 56 -13.304 2.738 2.523 1.00 11.33 H new ATOM 0 HB VAL A 56 -11.537 1.259 1.568 1.00 52.02 H new ATOM 0 HG11 VAL A 56 -13.030 -0.077 0.096 1.00 1.32 H new ATOM 0 HG12 VAL A 56 -13.874 0.509 1.549 1.00 1.32 H new ATOM 0 HG13 VAL A 56 -14.140 1.309 -0.018 1.00 1.32 H new ATOM 0 HG21 VAL A 56 -11.128 1.198 -0.878 1.00 73.24 H new ATOM 0 HG22 VAL A 56 -12.111 2.670 -1.071 1.00 73.24 H new ATOM 0 HG23 VAL A 56 -10.592 2.729 -0.146 1.00 73.24 H new ATOM 961 N ARG A 57 -11.052 3.668 3.302 1.00 45.21 N ATOM 962 CA ARG A 57 -9.822 4.286 3.816 1.00 44.14 C ATOM 963 C ARG A 57 -8.737 3.209 3.916 1.00 31.03 C ATOM 964 O ARG A 57 -8.784 2.363 4.811 1.00 73.10 O ATOM 965 CB ARG A 57 -10.101 4.950 5.197 1.00 22.41 C ATOM 966 CG ARG A 57 -8.850 5.517 5.910 1.00 33.20 C ATOM 967 CD ARG A 57 -9.190 6.364 7.150 1.00 20.01 C ATOM 968 NE ARG A 57 -9.848 7.631 6.784 1.00 24.45 N ATOM 969 CZ ARG A 57 -9.834 8.763 7.515 1.00 72.24 C ATOM 970 NH1 ARG A 57 -9.211 8.818 8.694 1.00 10.20 N ATOM 971 NH2 ARG A 57 -10.418 9.853 7.031 1.00 63.13 N ATOM 0 H ARG A 57 -11.499 3.035 3.965 1.00 45.21 H new ATOM 0 HA ARG A 57 -9.476 5.068 3.140 1.00 44.14 H new ATOM 0 HB2 ARG A 57 -10.819 5.758 5.057 1.00 22.41 H new ATOM 0 HB3 ARG A 57 -10.571 4.214 5.849 1.00 22.41 H new ATOM 0 HG2 ARG A 57 -8.204 4.691 6.208 1.00 33.20 H new ATOM 0 HG3 ARG A 57 -8.284 6.126 5.206 1.00 33.20 H new ATOM 0 HD2 ARG A 57 -9.842 5.794 7.812 1.00 20.01 H new ATOM 0 HD3 ARG A 57 -8.277 6.576 7.707 1.00 20.01 H new ATOM 0 HE ARG A 57 -10.358 7.653 5.901 1.00 24.45 H new ATOM 0 HH11 ARG A 57 -8.733 7.993 9.057 1.00 10.20 H new ATOM 0 HH12 ARG A 57 -9.212 9.685 9.232 1.00 10.20 H new ATOM 0 HH21 ARG A 57 -10.870 9.826 6.117 1.00 63.13 H new ATOM 0 HH22 ARG A 57 -10.415 10.717 7.573 1.00 63.13 H new ATOM 985 N ILE A 58 -7.779 3.235 2.973 1.00 51.24 N ATOM 986 CA ILE A 58 -6.672 2.264 2.912 1.00 0.42 C ATOM 987 C ILE A 58 -5.407 2.922 3.487 1.00 35.02 C ATOM 988 O ILE A 58 -4.819 3.783 2.840 1.00 14.41 O ATOM 989 CB ILE A 58 -6.375 1.792 1.430 1.00 73.23 C ATOM 990 CG1 ILE A 58 -7.679 1.341 0.694 1.00 72.32 C ATOM 991 CG2 ILE A 58 -5.303 0.669 1.409 1.00 71.12 C ATOM 992 CD1 ILE A 58 -7.492 1.037 -0.786 1.00 50.24 C ATOM 0 H ILE A 58 -7.751 3.932 2.229 1.00 51.24 H new ATOM 0 HA ILE A 58 -6.960 1.387 3.491 1.00 0.42 H new ATOM 0 HB ILE A 58 -5.977 2.649 0.887 1.00 73.23 H new ATOM 0 HG12 ILE A 58 -8.072 0.453 1.188 1.00 72.32 H new ATOM 0 HG13 ILE A 58 -8.431 2.123 0.800 1.00 72.32 H new ATOM 0 HG21 ILE A 58 -5.117 0.363 0.380 1.00 71.12 H new ATOM 0 HG22 ILE A 58 -4.378 1.041 1.850 1.00 71.12 H new ATOM 0 HG23 ILE A 58 -5.660 -0.186 1.983 1.00 71.12 H new ATOM 0 HD11 ILE A 58 -8.445 0.732 -1.218 1.00 50.24 H new ATOM 0 HD12 ILE A 58 -7.130 1.929 -1.298 1.00 50.24 H new ATOM 0 HD13 ILE A 58 -6.766 0.232 -0.903 1.00 50.24 H new ATOM 1004 N SER A 59 -5.001 2.541 4.698 1.00 1.52 N ATOM 1005 CA SER A 59 -3.796 3.080 5.329 1.00 14.45 C ATOM 1006 C SER A 59 -2.671 2.027 5.241 1.00 23.54 C ATOM 1007 O SER A 59 -2.687 1.015 5.945 1.00 61.24 O ATOM 1008 CB SER A 59 -4.108 3.481 6.789 1.00 13.13 C ATOM 1009 OG SER A 59 -3.053 4.239 7.358 1.00 41.50 O ATOM 0 H SER A 59 -5.495 1.854 5.267 1.00 1.52 H new ATOM 0 HA SER A 59 -3.459 3.978 4.811 1.00 14.45 H new ATOM 0 HB2 SER A 59 -5.031 4.061 6.819 1.00 13.13 H new ATOM 0 HB3 SER A 59 -4.276 2.584 7.386 1.00 13.13 H new ATOM 0 HG SER A 59 -3.094 5.159 7.023 1.00 41.50 H new ATOM 1015 N ILE A 60 -1.722 2.265 4.332 1.00 51.23 N ATOM 1016 CA ILE A 60 -0.564 1.393 4.098 1.00 15.41 C ATOM 1017 C ILE A 60 0.637 1.939 4.883 1.00 63.34 C ATOM 1018 O ILE A 60 1.132 3.026 4.580 1.00 61.43 O ATOM 1019 CB ILE A 60 -0.209 1.350 2.563 1.00 33.34 C ATOM 1020 CG1 ILE A 60 -1.433 0.873 1.723 1.00 31.11 C ATOM 1021 CG2 ILE A 60 1.043 0.477 2.282 1.00 5.23 C ATOM 1022 CD1 ILE A 60 -1.231 0.956 0.222 1.00 75.32 C ATOM 0 H ILE A 60 -1.736 3.085 3.725 1.00 51.23 H new ATOM 0 HA ILE A 60 -0.804 0.383 4.430 1.00 15.41 H new ATOM 0 HB ILE A 60 0.037 2.367 2.256 1.00 33.34 H new ATOM 0 HG12 ILE A 60 -1.662 -0.159 1.990 1.00 31.11 H new ATOM 0 HG13 ILE A 60 -2.301 1.473 1.995 1.00 31.11 H new ATOM 0 HG21 ILE A 60 1.252 0.475 1.212 1.00 5.23 H new ATOM 0 HG22 ILE A 60 1.899 0.886 2.818 1.00 5.23 H new ATOM 0 HG23 ILE A 60 0.858 -0.543 2.618 1.00 5.23 H new ATOM 0 HD11 ILE A 60 -2.129 0.606 -0.286 1.00 75.32 H new ATOM 0 HD12 ILE A 60 -1.033 1.990 -0.062 1.00 75.32 H new ATOM 0 HD13 ILE A 60 -0.385 0.332 -0.066 1.00 75.32 H new ATOM 1034 N ARG A 61 1.088 1.206 5.906 1.00 14.24 N ATOM 1035 CA ARG A 61 2.299 1.560 6.648 1.00 22.22 C ATOM 1036 C ARG A 61 3.434 0.673 6.149 1.00 73.43 C ATOM 1037 O ARG A 61 3.354 -0.555 6.241 1.00 63.12 O ATOM 1038 CB ARG A 61 2.100 1.391 8.176 1.00 73.23 C ATOM 1039 CG ARG A 61 3.317 1.869 8.993 1.00 33.15 C ATOM 1040 CD ARG A 61 3.117 1.785 10.509 1.00 5.53 C ATOM 1041 NE ARG A 61 4.205 2.485 11.206 1.00 23.13 N ATOM 1042 CZ ARG A 61 4.481 2.421 12.514 1.00 10.33 C ATOM 1043 NH1 ARG A 61 3.750 1.680 13.343 1.00 31.21 N ATOM 1044 NH2 ARG A 61 5.496 3.131 12.990 1.00 20.33 N ATOM 0 H ARG A 61 0.628 0.359 6.239 1.00 14.24 H new ATOM 0 HA ARG A 61 2.537 2.610 6.478 1.00 22.22 H new ATOM 0 HB2 ARG A 61 1.217 1.950 8.487 1.00 73.23 H new ATOM 0 HB3 ARG A 61 1.908 0.341 8.399 1.00 73.23 H new ATOM 0 HG2 ARG A 61 4.185 1.271 8.717 1.00 33.15 H new ATOM 0 HG3 ARG A 61 3.542 2.901 8.722 1.00 33.15 H new ATOM 0 HD2 ARG A 61 2.158 2.226 10.781 1.00 5.53 H new ATOM 0 HD3 ARG A 61 3.088 0.741 10.822 1.00 5.53 H new ATOM 0 HE ARG A 61 4.809 3.078 10.637 1.00 23.13 H new ATOM 0 HH11 ARG A 61 2.959 1.144 12.985 1.00 31.21 H new ATOM 0 HH12 ARG A 61 3.981 1.648 14.336 1.00 31.21 H new ATOM 0 HH21 ARG A 61 6.050 3.713 12.362 1.00 20.33 H new ATOM 0 HH22 ARG A 61 5.722 3.095 13.984 1.00 20.33 H new ATOM 1058 N VAL A 62 4.488 1.294 5.618 1.00 74.14 N ATOM 1059 CA VAL A 62 5.631 0.565 5.062 1.00 2.31 C ATOM 1060 C VAL A 62 6.718 0.456 6.153 1.00 71.31 C ATOM 1061 O VAL A 62 6.852 1.364 6.991 1.00 25.42 O ATOM 1062 CB VAL A 62 6.177 1.282 3.756 1.00 73.12 C ATOM 1063 CG1 VAL A 62 7.046 2.526 4.056 1.00 13.01 C ATOM 1064 CG2 VAL A 62 6.929 0.289 2.863 1.00 31.24 C ATOM 0 H VAL A 62 4.575 2.309 5.561 1.00 74.14 H new ATOM 0 HA VAL A 62 5.325 -0.437 4.762 1.00 2.31 H new ATOM 0 HB VAL A 62 5.302 1.647 3.219 1.00 73.12 H new ATOM 0 HG11 VAL A 62 7.386 2.967 3.119 1.00 13.01 H new ATOM 0 HG12 VAL A 62 6.456 3.257 4.608 1.00 13.01 H new ATOM 0 HG13 VAL A 62 7.909 2.231 4.653 1.00 13.01 H new ATOM 0 HG21 VAL A 62 7.294 0.803 1.974 1.00 31.24 H new ATOM 0 HG22 VAL A 62 7.773 -0.128 3.413 1.00 31.24 H new ATOM 0 HG23 VAL A 62 6.256 -0.515 2.566 1.00 31.24 H new ATOM 1074 N LYS A 63 7.447 -0.673 6.181 1.00 70.31 N ATOM 1075 CA LYS A 63 8.551 -0.877 7.134 1.00 24.13 C ATOM 1076 C LYS A 63 9.868 -0.417 6.486 1.00 13.15 C ATOM 1077 O LYS A 63 10.075 -0.582 5.283 1.00 62.11 O ATOM 1078 CB LYS A 63 8.604 -2.356 7.590 1.00 3.30 C ATOM 1079 CG LYS A 63 9.553 -2.638 8.777 1.00 20.21 C ATOM 1080 CD LYS A 63 9.356 -4.056 9.364 1.00 34.31 C ATOM 1081 CE LYS A 63 10.304 -4.363 10.529 1.00 51.12 C ATOM 1082 NZ LYS A 63 11.725 -4.417 10.098 1.00 5.31 N ATOM 0 H LYS A 63 7.290 -1.461 5.552 1.00 70.31 H new ATOM 0 HA LYS A 63 8.388 -0.278 8.030 1.00 24.13 H new ATOM 0 HB2 LYS A 63 7.598 -2.672 7.865 1.00 3.30 H new ATOM 0 HB3 LYS A 63 8.911 -2.971 6.744 1.00 3.30 H new ATOM 0 HG2 LYS A 63 10.586 -2.524 8.448 1.00 20.21 H new ATOM 0 HG3 LYS A 63 9.384 -1.897 9.558 1.00 20.21 H new ATOM 0 HD2 LYS A 63 8.326 -4.162 9.704 1.00 34.31 H new ATOM 0 HD3 LYS A 63 9.508 -4.793 8.576 1.00 34.31 H new ATOM 0 HE2 LYS A 63 10.189 -3.601 11.299 1.00 51.12 H new ATOM 0 HE3 LYS A 63 10.026 -5.316 10.979 1.00 51.12 H new ATOM 0 HZ1 LYS A 63 12.322 -4.694 10.904 1.00 5.31 H new ATOM 0 HZ2 LYS A 63 11.830 -5.115 9.334 1.00 5.31 H new ATOM 0 HZ3 LYS A 63 12.019 -3.481 9.755 1.00 5.31 H new ATOM 1096 N HIS A 64 10.746 0.160 7.309 1.00 4.32 N ATOM 1097 CA HIS A 64 11.948 0.902 6.857 1.00 55.32 C ATOM 1098 C HIS A 64 13.200 0.187 7.369 1.00 75.11 C ATOM 1099 O HIS A 64 13.140 -0.528 8.380 1.00 65.32 O ATOM 1100 CB HIS A 64 11.895 2.403 7.340 1.00 44.02 C ATOM 1101 CG HIS A 64 10.663 2.723 8.148 1.00 73.54 C ATOM 1102 ND1 HIS A 64 10.622 2.628 9.520 1.00 62.14 N ATOM 1103 CD2 HIS A 64 9.405 3.020 7.764 1.00 62.42 C ATOM 1104 CE1 HIS A 64 9.400 2.842 9.937 1.00 63.12 C ATOM 1105 NE2 HIS A 64 8.642 3.078 8.898 1.00 44.12 N ATOM 0 H HIS A 64 10.650 0.131 8.324 1.00 4.32 H new ATOM 0 HA HIS A 64 11.978 0.921 5.768 1.00 55.32 H new ATOM 0 HB2 HIS A 64 12.780 2.617 7.939 1.00 44.02 H new ATOM 0 HB3 HIS A 64 11.932 3.059 6.471 1.00 44.02 H new ATOM 0 HD1 HIS A 64 11.421 2.422 10.120 1.00 62.14 H new ATOM 0 HD2 HIS A 64 9.064 3.182 6.752 1.00 62.42 H new ATOM 0 HE1 HIS A 64 9.073 2.826 10.966 1.00 63.12 H new ATOM 1114 N SER A 65 14.312 0.391 6.655 1.00 74.12 N ATOM 1115 CA SER A 65 15.587 -0.279 6.930 1.00 51.00 C ATOM 1116 C SER A 65 16.155 0.125 8.303 1.00 22.13 C ATOM 1117 O SER A 65 16.375 -0.720 9.178 1.00 42.14 O ATOM 1118 CB SER A 65 16.600 0.057 5.803 1.00 2.11 C ATOM 1119 OG SER A 65 17.842 -0.612 5.993 1.00 33.51 O ATOM 0 H SER A 65 14.352 1.032 5.863 1.00 74.12 H new ATOM 0 HA SER A 65 15.412 -1.355 6.955 1.00 51.00 H new ATOM 0 HB2 SER A 65 16.178 -0.226 4.839 1.00 2.11 H new ATOM 0 HB3 SER A 65 16.768 1.134 5.774 1.00 2.11 H new ATOM 0 HG SER A 65 18.454 -0.378 5.264 1.00 33.51 H new ATOM 1125 N ASP A 66 16.326 1.438 8.491 1.00 3.44 N ATOM 1126 CA ASP A 66 17.086 2.008 9.616 1.00 33.31 C ATOM 1127 C ASP A 66 16.501 3.382 10.001 1.00 32.11 C ATOM 1128 O ASP A 66 15.830 4.016 9.188 1.00 41.42 O ATOM 1129 CB ASP A 66 18.583 2.110 9.203 1.00 73.01 C ATOM 1130 CG ASP A 66 19.491 2.755 10.263 1.00 44.13 C ATOM 1131 OD1 ASP A 66 19.913 2.057 11.213 1.00 12.21 O ATOM 1132 OD2 ASP A 66 19.784 3.965 10.158 1.00 74.51 O ATOM 0 H ASP A 66 15.939 2.143 7.864 1.00 3.44 H new ATOM 0 HA ASP A 66 17.011 1.367 10.494 1.00 33.31 H new ATOM 0 HB2 ASP A 66 18.956 1.110 8.983 1.00 73.01 H new ATOM 0 HB3 ASP A 66 18.655 2.687 8.281 1.00 73.01 H new ATOM 1137 N ALA A 67 16.787 3.834 11.239 1.00 23.35 N ATOM 1138 CA ALA A 67 16.224 5.074 11.822 1.00 11.12 C ATOM 1139 C ALA A 67 16.696 6.374 11.121 1.00 61.43 C ATOM 1140 O ALA A 67 16.066 7.420 11.275 1.00 11.45 O ATOM 1141 CB ALA A 67 16.534 5.115 13.320 1.00 30.22 C ATOM 0 H ALA A 67 17.422 3.345 11.870 1.00 23.35 H new ATOM 0 HA ALA A 67 15.147 5.040 11.660 1.00 11.12 H new ATOM 0 HB1 ALA A 67 16.121 6.026 13.752 1.00 30.22 H new ATOM 0 HB2 ALA A 67 16.088 4.248 13.808 1.00 30.22 H new ATOM 0 HB3 ALA A 67 17.614 5.100 13.469 1.00 30.22 H new ATOM 1147 N ALA A 68 17.819 6.316 10.393 1.00 50.25 N ATOM 1148 CA ALA A 68 18.277 7.422 9.519 1.00 55.14 C ATOM 1149 C ALA A 68 17.658 7.283 8.114 1.00 71.42 C ATOM 1150 O ALA A 68 17.409 8.275 7.421 1.00 61.11 O ATOM 1151 CB ALA A 68 19.812 7.441 9.447 1.00 72.13 C ATOM 0 H ALA A 68 18.439 5.506 10.388 1.00 50.25 H new ATOM 0 HA ALA A 68 17.945 8.370 9.943 1.00 55.14 H new ATOM 0 HB1 ALA A 68 20.136 8.258 8.802 1.00 72.13 H new ATOM 0 HB2 ALA A 68 20.221 7.584 10.447 1.00 72.13 H new ATOM 0 HB3 ALA A 68 20.169 6.495 9.041 1.00 72.13 H new ATOM 1157 N GLU A 69 17.424 6.022 7.722 1.00 12.13 N ATOM 1158 CA GLU A 69 16.885 5.650 6.398 1.00 74.55 C ATOM 1159 C GLU A 69 15.359 5.824 6.291 1.00 42.02 C ATOM 1160 O GLU A 69 14.837 5.698 5.191 1.00 64.13 O ATOM 1161 CB GLU A 69 17.299 4.204 6.026 1.00 52.22 C ATOM 1162 CG GLU A 69 18.818 4.009 5.887 1.00 41.21 C ATOM 1163 CD GLU A 69 19.462 4.917 4.818 1.00 45.14 C ATOM 1164 OE1 GLU A 69 19.244 4.688 3.605 1.00 13.44 O ATOM 1165 OE2 GLU A 69 20.206 5.855 5.186 1.00 11.13 O ATOM 0 H GLU A 69 17.605 5.217 8.322 1.00 12.13 H new ATOM 0 HA GLU A 69 17.324 6.344 5.681 1.00 74.55 H new ATOM 0 HB2 GLU A 69 16.923 3.521 6.788 1.00 52.22 H new ATOM 0 HB3 GLU A 69 16.819 3.929 5.087 1.00 52.22 H new ATOM 0 HG2 GLU A 69 19.291 4.204 6.850 1.00 41.21 H new ATOM 0 HG3 GLU A 69 19.021 2.968 5.637 1.00 41.21 H new ATOM 1172 N GLU A 70 14.667 6.056 7.439 1.00 52.33 N ATOM 1173 CA GLU A 70 13.179 6.234 7.510 1.00 62.50 C ATOM 1174 C GLU A 70 12.620 7.040 6.314 1.00 40.15 C ATOM 1175 O GLU A 70 11.714 6.596 5.605 1.00 53.51 O ATOM 1176 CB GLU A 70 12.789 7.006 8.809 1.00 51.24 C ATOM 1177 CG GLU A 70 13.241 6.379 10.132 1.00 0.52 C ATOM 1178 CD GLU A 70 12.541 5.056 10.467 1.00 4.03 C ATOM 1179 OE1 GLU A 70 11.434 5.092 11.042 1.00 23.21 O ATOM 1180 OE2 GLU A 70 13.093 3.977 10.165 1.00 60.13 O ATOM 0 H GLU A 70 15.122 6.126 8.349 1.00 52.33 H new ATOM 0 HA GLU A 70 12.753 5.231 7.497 1.00 62.50 H new ATOM 0 HB2 GLU A 70 13.205 8.012 8.747 1.00 51.24 H new ATOM 0 HB3 GLU A 70 11.704 7.110 8.833 1.00 51.24 H new ATOM 0 HG2 GLU A 70 14.317 6.209 10.093 1.00 0.52 H new ATOM 0 HG3 GLU A 70 13.060 7.089 10.939 1.00 0.52 H new ATOM 1187 N LYS A 71 13.245 8.204 6.096 1.00 63.21 N ATOM 1188 CA LYS A 71 12.812 9.213 5.122 1.00 73.12 C ATOM 1189 C LYS A 71 13.269 8.860 3.687 1.00 2.20 C ATOM 1190 O LYS A 71 12.596 9.210 2.712 1.00 41.41 O ATOM 1191 CB LYS A 71 13.383 10.589 5.567 1.00 62.11 C ATOM 1192 CG LYS A 71 13.024 10.971 7.023 1.00 60.45 C ATOM 1193 CD LYS A 71 13.757 12.238 7.521 1.00 74.10 C ATOM 1194 CE LYS A 71 13.435 12.549 8.988 1.00 64.11 C ATOM 1195 NZ LYS A 71 14.102 13.793 9.478 1.00 31.53 N ATOM 0 H LYS A 71 14.086 8.476 6.605 1.00 63.21 H new ATOM 0 HA LYS A 71 11.723 9.248 5.097 1.00 73.12 H new ATOM 0 HB2 LYS A 71 14.468 10.573 5.462 1.00 62.11 H new ATOM 0 HB3 LYS A 71 13.009 11.362 4.895 1.00 62.11 H new ATOM 0 HG2 LYS A 71 11.948 11.130 7.095 1.00 60.45 H new ATOM 0 HG3 LYS A 71 13.267 10.137 7.681 1.00 60.45 H new ATOM 0 HD2 LYS A 71 14.833 12.103 7.407 1.00 74.10 H new ATOM 0 HD3 LYS A 71 13.475 13.088 6.900 1.00 74.10 H new ATOM 0 HE2 LYS A 71 12.356 12.651 9.104 1.00 64.11 H new ATOM 0 HE3 LYS A 71 13.744 11.708 9.609 1.00 64.11 H new ATOM 0 HZ1 LYS A 71 13.849 13.953 10.474 1.00 31.53 H new ATOM 0 HZ2 LYS A 71 15.134 13.689 9.395 1.00 31.53 H new ATOM 0 HZ3 LYS A 71 13.788 14.603 8.906 1.00 31.53 H new ATOM 1209 N LYS A 72 14.412 8.152 3.585 1.00 31.43 N ATOM 1210 CA LYS A 72 15.003 7.729 2.296 1.00 30.23 C ATOM 1211 C LYS A 72 14.196 6.558 1.690 1.00 51.12 C ATOM 1212 O LYS A 72 14.021 6.485 0.467 1.00 53.35 O ATOM 1213 CB LYS A 72 16.494 7.315 2.501 1.00 52.32 C ATOM 1214 CG LYS A 72 17.283 7.004 1.209 1.00 72.41 C ATOM 1215 CD LYS A 72 17.481 8.242 0.298 1.00 72.23 C ATOM 1216 CE LYS A 72 18.274 7.901 -0.978 1.00 12.31 C ATOM 1217 NZ LYS A 72 18.490 9.087 -1.850 1.00 30.44 N ATOM 0 H LYS A 72 14.954 7.856 4.397 1.00 31.43 H new ATOM 0 HA LYS A 72 14.965 8.568 1.601 1.00 30.23 H new ATOM 0 HB2 LYS A 72 17.005 8.117 3.034 1.00 52.32 H new ATOM 0 HB3 LYS A 72 16.523 6.435 3.144 1.00 52.32 H new ATOM 0 HG2 LYS A 72 18.259 6.599 1.476 1.00 72.41 H new ATOM 0 HG3 LYS A 72 16.759 6.230 0.649 1.00 72.41 H new ATOM 0 HD2 LYS A 72 16.508 8.648 0.022 1.00 72.23 H new ATOM 0 HD3 LYS A 72 18.005 9.020 0.853 1.00 72.23 H new ATOM 0 HE2 LYS A 72 19.239 7.478 -0.700 1.00 12.31 H new ATOM 0 HE3 LYS A 72 17.740 7.134 -1.539 1.00 12.31 H new ATOM 0 HZ1 LYS A 72 19.028 8.804 -2.694 1.00 30.44 H new ATOM 0 HZ2 LYS A 72 17.570 9.477 -2.140 1.00 30.44 H new ATOM 0 HZ3 LYS A 72 19.023 9.810 -1.326 1.00 30.44 H new ATOM 1231 N GLU A 73 13.690 5.667 2.568 1.00 0.04 N ATOM 1232 CA GLU A 73 12.913 4.479 2.161 1.00 3.43 C ATOM 1233 C GLU A 73 11.437 4.852 1.972 1.00 21.20 C ATOM 1234 O GLU A 73 10.740 4.219 1.177 1.00 32.33 O ATOM 1235 CB GLU A 73 13.058 3.322 3.196 1.00 44.51 C ATOM 1236 CG GLU A 73 14.518 2.913 3.526 1.00 72.04 C ATOM 1237 CD GLU A 73 15.417 2.733 2.285 1.00 14.33 C ATOM 1238 OE1 GLU A 73 15.354 1.667 1.628 1.00 4.20 O ATOM 1239 OE2 GLU A 73 16.170 3.671 1.941 1.00 13.33 O ATOM 0 H GLU A 73 13.809 5.751 3.578 1.00 0.04 H new ATOM 0 HA GLU A 73 13.312 4.123 1.211 1.00 3.43 H new ATOM 0 HB2 GLU A 73 12.562 3.618 4.120 1.00 44.51 H new ATOM 0 HB3 GLU A 73 12.529 2.448 2.817 1.00 44.51 H new ATOM 0 HG2 GLU A 73 14.959 3.671 4.174 1.00 72.04 H new ATOM 0 HG3 GLU A 73 14.504 1.980 4.090 1.00 72.04 H new ATOM 1246 N ALA A 74 10.979 5.873 2.728 1.00 13.31 N ATOM 1247 CA ALA A 74 9.634 6.447 2.563 1.00 53.30 C ATOM 1248 C ALA A 74 9.499 7.123 1.188 1.00 24.33 C ATOM 1249 O ALA A 74 8.526 6.893 0.473 1.00 44.03 O ATOM 1250 CB ALA A 74 9.328 7.450 3.687 1.00 41.14 C ATOM 0 H ALA A 74 11.529 6.317 3.463 1.00 13.31 H new ATOM 0 HA ALA A 74 8.909 5.635 2.622 1.00 53.30 H new ATOM 0 HB1 ALA A 74 8.329 7.862 3.545 1.00 41.14 H new ATOM 0 HB2 ALA A 74 9.378 6.943 4.651 1.00 41.14 H new ATOM 0 HB3 ALA A 74 10.060 8.257 3.663 1.00 41.14 H new ATOM 1256 N LYS A 75 10.508 7.955 0.831 1.00 52.13 N ATOM 1257 CA LYS A 75 10.530 8.677 -0.458 1.00 24.42 C ATOM 1258 C LYS A 75 10.856 7.722 -1.636 1.00 53.24 C ATOM 1259 O LYS A 75 10.394 7.945 -2.758 1.00 42.21 O ATOM 1260 CB LYS A 75 11.514 9.882 -0.403 1.00 54.33 C ATOM 1261 CG LYS A 75 11.407 10.850 -1.613 1.00 62.11 C ATOM 1262 CD LYS A 75 12.203 12.168 -1.431 1.00 3.11 C ATOM 1263 CE LYS A 75 13.727 11.967 -1.374 1.00 40.20 C ATOM 1264 NZ LYS A 75 14.276 11.408 -2.644 1.00 64.33 N ATOM 0 H LYS A 75 11.318 8.141 1.422 1.00 52.13 H new ATOM 0 HA LYS A 75 9.531 9.076 -0.637 1.00 24.42 H new ATOM 0 HB2 LYS A 75 11.332 10.443 0.514 1.00 54.33 H new ATOM 0 HB3 LYS A 75 12.534 9.501 -0.346 1.00 54.33 H new ATOM 0 HG2 LYS A 75 11.766 10.340 -2.507 1.00 62.11 H new ATOM 0 HG3 LYS A 75 10.357 11.091 -1.782 1.00 62.11 H new ATOM 0 HD2 LYS A 75 11.965 12.842 -2.254 1.00 3.11 H new ATOM 0 HD3 LYS A 75 11.875 12.656 -0.513 1.00 3.11 H new ATOM 0 HE2 LYS A 75 14.209 12.922 -1.162 1.00 40.20 H new ATOM 0 HE3 LYS A 75 13.972 11.297 -0.550 1.00 40.20 H new ATOM 0 HZ1 LYS A 75 15.314 11.370 -2.587 1.00 64.33 H new ATOM 0 HZ2 LYS A 75 13.902 10.449 -2.791 1.00 64.33 H new ATOM 0 HZ3 LYS A 75 13.995 12.015 -3.440 1.00 64.33 H new ATOM 1278 N LYS A 76 11.649 6.653 -1.371 1.00 13.04 N ATOM 1279 CA LYS A 76 11.845 5.535 -2.332 1.00 70.20 C ATOM 1280 C LYS A 76 10.481 4.908 -2.689 1.00 53.55 C ATOM 1281 O LYS A 76 10.107 4.802 -3.864 1.00 35.44 O ATOM 1282 CB LYS A 76 12.781 4.442 -1.726 1.00 13.54 C ATOM 1283 CG LYS A 76 13.005 3.197 -2.626 1.00 44.34 C ATOM 1284 CD LYS A 76 13.927 2.104 -2.003 1.00 64.35 C ATOM 1285 CE LYS A 76 15.427 2.477 -1.968 1.00 52.41 C ATOM 1286 NZ LYS A 76 15.749 3.534 -0.970 1.00 74.01 N ATOM 0 H LYS A 76 12.165 6.541 -0.498 1.00 13.04 H new ATOM 0 HA LYS A 76 12.312 5.933 -3.233 1.00 70.20 H new ATOM 0 HB2 LYS A 76 13.749 4.894 -1.509 1.00 13.54 H new ATOM 0 HB3 LYS A 76 12.362 4.113 -0.775 1.00 13.54 H new ATOM 0 HG2 LYS A 76 12.037 2.751 -2.854 1.00 44.34 H new ATOM 0 HG3 LYS A 76 13.437 3.522 -3.573 1.00 44.34 H new ATOM 0 HD2 LYS A 76 13.592 1.900 -0.986 1.00 64.35 H new ATOM 0 HD3 LYS A 76 13.808 1.180 -2.569 1.00 64.35 H new ATOM 0 HE2 LYS A 76 16.011 1.585 -1.743 1.00 52.41 H new ATOM 0 HE3 LYS A 76 15.733 2.816 -2.958 1.00 52.41 H new ATOM 0 HZ1 LYS A 76 16.639 3.296 -0.487 1.00 74.01 H new ATOM 0 HZ2 LYS A 76 15.852 4.449 -1.454 1.00 74.01 H new ATOM 0 HZ3 LYS A 76 14.982 3.596 -0.271 1.00 74.01 H new ATOM 1300 N PHE A 77 9.734 4.551 -1.634 1.00 71.53 N ATOM 1301 CA PHE A 77 8.392 3.951 -1.737 1.00 52.31 C ATOM 1302 C PHE A 77 7.350 4.966 -2.218 1.00 14.42 C ATOM 1303 O PHE A 77 6.287 4.560 -2.641 1.00 74.32 O ATOM 1304 CB PHE A 77 7.966 3.278 -0.390 1.00 0.53 C ATOM 1305 CG PHE A 77 8.055 1.750 -0.421 1.00 51.12 C ATOM 1306 CD1 PHE A 77 9.241 1.080 -0.093 1.00 62.44 C ATOM 1307 CD2 PHE A 77 6.954 0.981 -0.813 1.00 2.30 C ATOM 1308 CE1 PHE A 77 9.307 -0.306 -0.141 1.00 33.15 C ATOM 1309 CE2 PHE A 77 7.027 -0.395 -0.856 1.00 74.25 C ATOM 1310 CZ PHE A 77 8.201 -1.037 -0.527 1.00 52.23 C ATOM 0 H PHE A 77 10.048 4.672 -0.671 1.00 71.53 H new ATOM 0 HA PHE A 77 8.443 3.167 -2.493 1.00 52.31 H new ATOM 0 HB2 PHE A 77 8.599 3.656 0.413 1.00 0.53 H new ATOM 0 HB3 PHE A 77 6.943 3.571 -0.153 1.00 0.53 H new ATOM 0 HD1 PHE A 77 10.112 1.647 0.200 1.00 62.44 H new ATOM 0 HD2 PHE A 77 6.032 1.473 -1.086 1.00 2.30 H new ATOM 0 HE1 PHE A 77 10.223 -0.812 0.124 1.00 33.15 H new ATOM 0 HE2 PHE A 77 6.162 -0.971 -1.148 1.00 74.25 H new ATOM 0 HZ PHE A 77 8.256 -2.115 -0.571 1.00 52.23 H new ATOM 1320 N ALA A 78 7.643 6.272 -2.102 1.00 45.45 N ATOM 1321 CA ALA A 78 6.767 7.326 -2.634 1.00 31.34 C ATOM 1322 C ALA A 78 6.629 7.198 -4.154 1.00 12.22 C ATOM 1323 O ALA A 78 5.528 7.280 -4.683 1.00 33.33 O ATOM 1324 CB ALA A 78 7.263 8.719 -2.228 1.00 60.23 C ATOM 0 H ALA A 78 8.483 6.623 -1.642 1.00 45.45 H new ATOM 0 HA ALA A 78 5.777 7.197 -2.197 1.00 31.34 H new ATOM 0 HB1 ALA A 78 6.594 9.477 -2.637 1.00 60.23 H new ATOM 0 HB2 ALA A 78 7.279 8.797 -1.141 1.00 60.23 H new ATOM 0 HB3 ALA A 78 8.269 8.875 -2.618 1.00 60.23 H new ATOM 1330 N ALA A 79 7.766 6.950 -4.836 1.00 60.12 N ATOM 1331 CA ALA A 79 7.797 6.687 -6.288 1.00 40.54 C ATOM 1332 C ALA A 79 7.125 5.338 -6.636 1.00 25.02 C ATOM 1333 O ALA A 79 6.337 5.257 -7.580 1.00 25.32 O ATOM 1334 CB ALA A 79 9.249 6.706 -6.780 1.00 3.34 C ATOM 0 H ALA A 79 8.686 6.927 -4.396 1.00 60.12 H new ATOM 0 HA ALA A 79 7.232 7.471 -6.792 1.00 40.54 H new ATOM 0 HB1 ALA A 79 9.272 6.512 -7.852 1.00 3.34 H new ATOM 0 HB2 ALA A 79 9.689 7.683 -6.578 1.00 3.34 H new ATOM 0 HB3 ALA A 79 9.820 5.937 -6.259 1.00 3.34 H new ATOM 1340 N ILE A 80 7.446 4.299 -5.835 1.00 65.42 N ATOM 1341 CA ILE A 80 6.944 2.916 -6.023 1.00 72.13 C ATOM 1342 C ILE A 80 5.405 2.852 -5.905 1.00 10.23 C ATOM 1343 O ILE A 80 4.729 2.278 -6.764 1.00 21.14 O ATOM 1344 CB ILE A 80 7.636 1.944 -4.979 1.00 74.43 C ATOM 1345 CG1 ILE A 80 9.169 1.847 -5.254 1.00 42.04 C ATOM 1346 CG2 ILE A 80 7.001 0.538 -4.945 1.00 5.13 C ATOM 1347 CD1 ILE A 80 9.541 1.392 -6.665 1.00 41.40 C ATOM 0 H ILE A 80 8.067 4.395 -5.031 1.00 65.42 H new ATOM 0 HA ILE A 80 7.203 2.591 -7.031 1.00 72.13 H new ATOM 0 HB ILE A 80 7.473 2.381 -3.994 1.00 74.43 H new ATOM 0 HG12 ILE A 80 9.619 2.823 -5.072 1.00 42.04 H new ATOM 0 HG13 ILE A 80 9.609 1.155 -4.537 1.00 42.04 H new ATOM 0 HG21 ILE A 80 7.520 -0.078 -4.211 1.00 5.13 H new ATOM 0 HG22 ILE A 80 5.949 0.620 -4.671 1.00 5.13 H new ATOM 0 HG23 ILE A 80 7.085 0.077 -5.929 1.00 5.13 H new ATOM 0 HD11 ILE A 80 10.626 1.355 -6.761 1.00 41.40 H new ATOM 0 HD12 ILE A 80 9.126 0.401 -6.849 1.00 41.40 H new ATOM 0 HD13 ILE A 80 9.136 2.095 -7.393 1.00 41.40 H new ATOM 1359 N LEU A 81 4.879 3.500 -4.860 1.00 50.43 N ATOM 1360 CA LEU A 81 3.440 3.528 -4.553 1.00 74.42 C ATOM 1361 C LEU A 81 2.692 4.494 -5.489 1.00 31.22 C ATOM 1362 O LEU A 81 1.534 4.245 -5.811 1.00 21.34 O ATOM 1363 CB LEU A 81 3.230 3.899 -3.054 1.00 53.35 C ATOM 1364 CG LEU A 81 3.556 2.762 -2.026 1.00 3.14 C ATOM 1365 CD1 LEU A 81 3.676 3.306 -0.588 1.00 34.12 C ATOM 1366 CD2 LEU A 81 2.503 1.633 -2.098 1.00 35.34 C ATOM 0 H LEU A 81 5.445 4.027 -4.194 1.00 50.43 H new ATOM 0 HA LEU A 81 3.022 2.536 -4.723 1.00 74.42 H new ATOM 0 HB2 LEU A 81 3.851 4.764 -2.821 1.00 53.35 H new ATOM 0 HB3 LEU A 81 2.193 4.204 -2.915 1.00 53.35 H new ATOM 0 HG LEU A 81 4.526 2.346 -2.301 1.00 3.14 H new ATOM 0 HD11 LEU A 81 3.903 2.486 0.093 1.00 34.12 H new ATOM 0 HD12 LEU A 81 4.476 4.046 -0.544 1.00 34.12 H new ATOM 0 HD13 LEU A 81 2.735 3.771 -0.295 1.00 34.12 H new ATOM 0 HD21 LEU A 81 2.752 0.856 -1.375 1.00 35.34 H new ATOM 0 HD22 LEU A 81 1.518 2.039 -1.869 1.00 35.34 H new ATOM 0 HD23 LEU A 81 2.495 1.206 -3.101 1.00 35.34 H new ATOM 1378 N ASN A 82 3.374 5.572 -5.939 1.00 72.21 N ATOM 1379 CA ASN A 82 2.807 6.549 -6.909 1.00 43.04 C ATOM 1380 C ASN A 82 2.442 5.833 -8.225 1.00 21.21 C ATOM 1381 O ASN A 82 1.401 6.108 -8.832 1.00 32.12 O ATOM 1382 CB ASN A 82 3.823 7.700 -7.178 1.00 51.13 C ATOM 1383 CG ASN A 82 3.275 8.850 -8.036 1.00 62.15 C ATOM 1384 OD1 ASN A 82 2.078 9.156 -8.015 1.00 64.45 O ATOM 1385 ND2 ASN A 82 4.155 9.516 -8.773 1.00 12.14 N ATOM 0 H ASN A 82 4.326 5.792 -5.645 1.00 72.21 H new ATOM 0 HA ASN A 82 1.902 6.983 -6.483 1.00 43.04 H new ATOM 0 HB2 ASN A 82 4.155 8.104 -6.222 1.00 51.13 H new ATOM 0 HB3 ASN A 82 4.702 7.283 -7.671 1.00 51.13 H new ATOM 0 HD21 ASN A 82 3.850 10.305 -9.343 1.00 12.14 H new ATOM 0 HD22 ASN A 82 5.137 9.239 -8.769 1.00 12.14 H new ATOM 1392 N LYS A 83 3.317 4.889 -8.624 1.00 2.34 N ATOM 1393 CA LYS A 83 3.099 4.026 -9.797 1.00 34.40 C ATOM 1394 C LYS A 83 1.919 3.055 -9.569 1.00 11.12 C ATOM 1395 O LYS A 83 1.069 2.895 -10.441 1.00 14.04 O ATOM 1396 CB LYS A 83 4.381 3.215 -10.117 1.00 34.03 C ATOM 1397 CG LYS A 83 5.618 4.056 -10.515 1.00 2.42 C ATOM 1398 CD LYS A 83 5.392 4.904 -11.784 1.00 11.14 C ATOM 1399 CE LYS A 83 6.636 5.717 -12.182 1.00 60.12 C ATOM 1400 NZ LYS A 83 6.346 6.648 -13.311 1.00 54.30 N ATOM 0 H LYS A 83 4.196 4.705 -8.140 1.00 2.34 H new ATOM 0 HA LYS A 83 2.857 4.673 -10.641 1.00 34.40 H new ATOM 0 HB2 LYS A 83 4.637 2.614 -9.245 1.00 34.03 H new ATOM 0 HB3 LYS A 83 4.158 2.521 -10.928 1.00 34.03 H new ATOM 0 HG2 LYS A 83 5.883 4.715 -9.688 1.00 2.42 H new ATOM 0 HG3 LYS A 83 6.466 3.390 -10.677 1.00 2.42 H new ATOM 0 HD2 LYS A 83 5.111 4.249 -12.609 1.00 11.14 H new ATOM 0 HD3 LYS A 83 4.556 5.584 -11.618 1.00 11.14 H new ATOM 0 HE2 LYS A 83 6.990 6.286 -11.322 1.00 60.12 H new ATOM 0 HE3 LYS A 83 7.439 5.038 -12.467 1.00 60.12 H new ATOM 0 HZ1 LYS A 83 7.207 7.179 -13.553 1.00 54.30 H new ATOM 0 HZ2 LYS A 83 6.032 6.102 -14.139 1.00 54.30 H new ATOM 0 HZ3 LYS A 83 5.597 7.312 -13.030 1.00 54.30 H new ATOM 1414 N VAL A 84 1.867 2.459 -8.360 1.00 41.01 N ATOM 1415 CA VAL A 84 0.877 1.424 -7.999 1.00 20.20 C ATOM 1416 C VAL A 84 -0.554 2.008 -8.016 1.00 51.22 C ATOM 1417 O VAL A 84 -1.441 1.463 -8.674 1.00 40.31 O ATOM 1418 CB VAL A 84 1.223 0.798 -6.584 1.00 71.31 C ATOM 1419 CG1 VAL A 84 0.068 -0.058 -6.011 1.00 53.50 C ATOM 1420 CG2 VAL A 84 2.526 -0.037 -6.664 1.00 23.50 C ATOM 0 H VAL A 84 2.513 2.683 -7.604 1.00 41.01 H new ATOM 0 HA VAL A 84 0.920 0.627 -8.741 1.00 20.20 H new ATOM 0 HB VAL A 84 1.371 1.632 -5.898 1.00 71.31 H new ATOM 0 HG11 VAL A 84 0.360 -0.461 -5.041 1.00 53.50 H new ATOM 0 HG12 VAL A 84 -0.821 0.562 -5.893 1.00 53.50 H new ATOM 0 HG13 VAL A 84 -0.150 -0.879 -6.694 1.00 53.50 H new ATOM 0 HG21 VAL A 84 2.748 -0.459 -5.684 1.00 23.50 H new ATOM 0 HG22 VAL A 84 2.398 -0.844 -7.386 1.00 23.50 H new ATOM 0 HG23 VAL A 84 3.350 0.604 -6.979 1.00 23.50 H new ATOM 1430 N PHE A 85 -0.732 3.152 -7.328 1.00 70.11 N ATOM 1431 CA PHE A 85 -2.035 3.851 -7.221 1.00 63.24 C ATOM 1432 C PHE A 85 -2.490 4.400 -8.592 1.00 63.20 C ATOM 1433 O PHE A 85 -3.689 4.541 -8.837 1.00 71.25 O ATOM 1434 CB PHE A 85 -1.969 4.988 -6.160 1.00 2.40 C ATOM 1435 CG PHE A 85 -1.538 4.513 -4.763 1.00 21.50 C ATOM 1436 CD1 PHE A 85 -1.994 3.295 -4.244 1.00 23.32 C ATOM 1437 CD2 PHE A 85 -0.665 5.272 -3.978 1.00 31.03 C ATOM 1438 CE1 PHE A 85 -1.585 2.855 -2.998 1.00 14.14 C ATOM 1439 CE2 PHE A 85 -0.262 4.829 -2.731 1.00 3.54 C ATOM 1440 CZ PHE A 85 -0.721 3.622 -2.245 1.00 4.33 C ATOM 0 H PHE A 85 0.023 3.622 -6.828 1.00 70.11 H new ATOM 0 HA PHE A 85 -2.777 3.124 -6.892 1.00 63.24 H new ATOM 0 HB2 PHE A 85 -1.272 5.752 -6.504 1.00 2.40 H new ATOM 0 HB3 PHE A 85 -2.949 5.460 -6.086 1.00 2.40 H new ATOM 0 HD1 PHE A 85 -2.675 2.690 -4.825 1.00 23.32 H new ATOM 0 HD2 PHE A 85 -0.300 6.218 -4.350 1.00 31.03 H new ATOM 0 HE1 PHE A 85 -1.942 1.911 -2.615 1.00 14.14 H new ATOM 0 HE2 PHE A 85 0.412 5.428 -2.137 1.00 3.54 H new ATOM 0 HZ PHE A 85 -0.403 3.277 -1.272 1.00 4.33 H new ATOM 1450 N ALA A 86 -1.517 4.690 -9.478 1.00 32.10 N ATOM 1451 CA ALA A 86 -1.784 5.074 -10.882 1.00 53.52 C ATOM 1452 C ALA A 86 -2.361 3.894 -11.681 1.00 61.52 C ATOM 1453 O ALA A 86 -3.244 4.070 -12.525 1.00 50.33 O ATOM 1454 CB ALA A 86 -0.504 5.589 -11.547 1.00 1.04 C ATOM 0 H ALA A 86 -0.525 4.665 -9.243 1.00 32.10 H new ATOM 0 HA ALA A 86 -2.525 5.873 -10.876 1.00 53.52 H new ATOM 0 HB1 ALA A 86 -0.717 5.867 -12.579 1.00 1.04 H new ATOM 0 HB2 ALA A 86 -0.137 6.460 -11.004 1.00 1.04 H new ATOM 0 HB3 ALA A 86 0.254 4.806 -11.531 1.00 1.04 H new ATOM 1460 N GLU A 87 -1.881 2.682 -11.359 1.00 4.50 N ATOM 1461 CA GLU A 87 -2.313 1.429 -12.011 1.00 22.11 C ATOM 1462 C GLU A 87 -3.599 0.883 -11.344 1.00 72.20 C ATOM 1463 O GLU A 87 -4.150 -0.129 -11.778 1.00 34.32 O ATOM 1464 CB GLU A 87 -1.156 0.397 -11.944 1.00 45.44 C ATOM 1465 CG GLU A 87 0.125 0.845 -12.682 1.00 40.33 C ATOM 1466 CD GLU A 87 1.299 -0.127 -12.499 1.00 31.34 C ATOM 1467 OE1 GLU A 87 2.080 0.032 -11.530 1.00 30.41 O ATOM 1468 OE2 GLU A 87 1.446 -1.060 -13.316 1.00 53.00 O ATOM 0 H GLU A 87 -1.177 2.540 -10.634 1.00 4.50 H new ATOM 0 HA GLU A 87 -2.550 1.623 -13.057 1.00 22.11 H new ATOM 0 HB2 GLU A 87 -0.913 0.205 -10.899 1.00 45.44 H new ATOM 0 HB3 GLU A 87 -1.498 -0.546 -12.370 1.00 45.44 H new ATOM 0 HG2 GLU A 87 -0.092 0.946 -13.745 1.00 40.33 H new ATOM 0 HG3 GLU A 87 0.418 1.831 -12.322 1.00 40.33 H new ATOM 1475 N LEU A 88 -4.068 1.590 -10.293 1.00 2.35 N ATOM 1476 CA LEU A 88 -5.317 1.270 -9.569 1.00 42.30 C ATOM 1477 C LEU A 88 -6.417 2.302 -9.909 1.00 35.24 C ATOM 1478 O LEU A 88 -7.606 1.978 -9.886 1.00 45.14 O ATOM 1479 CB LEU A 88 -5.053 1.251 -8.038 1.00 71.44 C ATOM 1480 CG LEU A 88 -4.064 0.157 -7.517 1.00 12.52 C ATOM 1481 CD1 LEU A 88 -3.798 0.317 -6.009 1.00 33.31 C ATOM 1482 CD2 LEU A 88 -4.561 -1.263 -7.843 1.00 63.40 C ATOM 0 H LEU A 88 -3.585 2.407 -9.920 1.00 2.35 H new ATOM 0 HA LEU A 88 -5.660 0.284 -9.881 1.00 42.30 H new ATOM 0 HB2 LEU A 88 -4.667 2.228 -7.746 1.00 71.44 H new ATOM 0 HB3 LEU A 88 -6.007 1.120 -7.528 1.00 71.44 H new ATOM 0 HG LEU A 88 -3.119 0.301 -8.042 1.00 12.52 H new ATOM 0 HD11 LEU A 88 -3.107 -0.458 -5.677 1.00 33.31 H new ATOM 0 HD12 LEU A 88 -3.362 1.298 -5.818 1.00 33.31 H new ATOM 0 HD13 LEU A 88 -4.736 0.225 -5.462 1.00 33.31 H new ATOM 0 HD21 LEU A 88 -3.847 -1.994 -7.465 1.00 63.40 H new ATOM 0 HD22 LEU A 88 -5.531 -1.426 -7.373 1.00 63.40 H new ATOM 0 HD23 LEU A 88 -4.658 -1.376 -8.923 1.00 63.40 H new ATOM 1494 N GLY A 89 -5.999 3.548 -10.222 1.00 12.34 N ATOM 1495 CA GLY A 89 -6.920 4.645 -10.563 1.00 3.04 C ATOM 1496 C GLY A 89 -7.125 5.662 -9.438 1.00 61.34 C ATOM 1497 O GLY A 89 -8.009 6.527 -9.538 1.00 52.14 O ATOM 0 H GLY A 89 -5.015 3.817 -10.244 1.00 12.34 H new ATOM 0 HA2 GLY A 89 -6.539 5.164 -11.443 1.00 3.04 H new ATOM 0 HA3 GLY A 89 -7.887 4.222 -10.836 1.00 3.04 H new ATOM 1501 N TYR A 90 -6.319 5.561 -8.363 1.00 4.44 N ATOM 1502 CA TYR A 90 -6.321 6.536 -7.249 1.00 52.33 C ATOM 1503 C TYR A 90 -5.433 7.753 -7.607 1.00 24.33 C ATOM 1504 O TYR A 90 -4.311 7.571 -8.094 1.00 12.44 O ATOM 1505 CB TYR A 90 -5.798 5.866 -5.945 1.00 34.41 C ATOM 1506 CG TYR A 90 -6.582 4.617 -5.495 1.00 74.12 C ATOM 1507 CD1 TYR A 90 -7.974 4.638 -5.381 1.00 42.52 C ATOM 1508 CD2 TYR A 90 -5.925 3.421 -5.175 1.00 0.32 C ATOM 1509 CE1 TYR A 90 -8.679 3.517 -4.971 1.00 70.35 C ATOM 1510 CE2 TYR A 90 -6.630 2.302 -4.763 1.00 74.22 C ATOM 1511 CZ TYR A 90 -8.002 2.355 -4.662 1.00 34.00 C ATOM 1512 OH TYR A 90 -8.706 1.240 -4.251 1.00 33.33 O ATOM 0 H TYR A 90 -5.648 4.803 -8.240 1.00 4.44 H new ATOM 0 HA TYR A 90 -7.343 6.876 -7.085 1.00 52.33 H new ATOM 0 HB2 TYR A 90 -4.754 5.588 -6.090 1.00 34.41 H new ATOM 0 HB3 TYR A 90 -5.823 6.602 -5.141 1.00 34.41 H new ATOM 0 HD1 TYR A 90 -8.511 5.545 -5.617 1.00 42.52 H new ATOM 0 HD2 TYR A 90 -4.849 3.371 -5.251 1.00 0.32 H new ATOM 0 HE1 TYR A 90 -9.756 3.553 -4.894 1.00 70.35 H new ATOM 0 HE2 TYR A 90 -6.104 1.390 -4.522 1.00 74.22 H new ATOM 0 HH TYR A 90 -8.082 0.506 -4.074 1.00 33.33 H new ATOM 1522 N ASN A 91 -5.928 8.976 -7.328 1.00 55.12 N ATOM 1523 CA ASN A 91 -5.231 10.248 -7.663 1.00 60.24 C ATOM 1524 C ASN A 91 -4.350 10.710 -6.491 1.00 53.51 C ATOM 1525 O ASN A 91 -4.484 10.204 -5.376 1.00 30.23 O ATOM 1526 CB ASN A 91 -6.264 11.363 -7.993 1.00 15.31 C ATOM 1527 CG ASN A 91 -7.030 11.121 -9.292 1.00 70.20 C ATOM 1528 OD1 ASN A 91 -8.051 10.432 -9.309 1.00 11.31 O ATOM 1529 ND2 ASN A 91 -6.545 11.677 -10.395 1.00 74.25 N ATOM 0 H ASN A 91 -6.825 9.116 -6.863 1.00 55.12 H new ATOM 0 HA ASN A 91 -4.602 10.065 -8.534 1.00 60.24 H new ATOM 0 HB2 ASN A 91 -6.975 11.443 -7.171 1.00 15.31 H new ATOM 0 HB3 ASN A 91 -5.745 12.319 -8.060 1.00 15.31 H new ATOM 0 HD21 ASN A 91 -7.020 11.539 -11.287 1.00 74.25 H new ATOM 0 HD22 ASN A 91 -5.697 12.243 -10.351 1.00 74.25 H new ATOM 1536 N ASP A 92 -3.483 11.714 -6.765 1.00 53.12 N ATOM 1537 CA ASP A 92 -2.609 12.360 -5.747 1.00 61.24 C ATOM 1538 C ASP A 92 -3.443 12.993 -4.615 1.00 32.33 C ATOM 1539 O ASP A 92 -2.986 13.088 -3.475 1.00 43.35 O ATOM 1540 CB ASP A 92 -1.722 13.466 -6.392 1.00 62.24 C ATOM 1541 CG ASP A 92 -0.816 12.962 -7.521 1.00 13.35 C ATOM 1542 OD1 ASP A 92 0.262 12.401 -7.228 1.00 34.43 O ATOM 1543 OD2 ASP A 92 -1.183 13.118 -8.710 1.00 63.32 O ATOM 0 H ASP A 92 -3.367 12.103 -7.701 1.00 53.12 H new ATOM 0 HA ASP A 92 -1.973 11.578 -5.333 1.00 61.24 H new ATOM 0 HB2 ASP A 92 -2.368 14.253 -6.782 1.00 62.24 H new ATOM 0 HB3 ASP A 92 -1.102 13.917 -5.617 1.00 62.24 H new ATOM 1548 N SER A 93 -4.657 13.442 -4.975 1.00 61.52 N ATOM 1549 CA SER A 93 -5.632 14.024 -4.042 1.00 24.23 C ATOM 1550 C SER A 93 -6.128 12.971 -3.028 1.00 2.53 C ATOM 1551 O SER A 93 -6.304 13.272 -1.844 1.00 12.33 O ATOM 1552 CB SER A 93 -6.811 14.612 -4.847 1.00 31.41 C ATOM 1553 OG SER A 93 -7.389 13.634 -5.704 1.00 15.01 O ATOM 0 H SER A 93 -4.992 13.410 -5.938 1.00 61.52 H new ATOM 0 HA SER A 93 -5.151 14.819 -3.472 1.00 24.23 H new ATOM 0 HB2 SER A 93 -7.569 14.992 -4.162 1.00 31.41 H new ATOM 0 HB3 SER A 93 -6.464 15.459 -5.439 1.00 31.41 H new ATOM 0 HG SER A 93 -8.134 14.033 -6.200 1.00 15.01 H new ATOM 1559 N ASN A 94 -6.344 11.730 -3.517 1.00 65.25 N ATOM 1560 CA ASN A 94 -6.789 10.588 -2.685 1.00 14.15 C ATOM 1561 C ASN A 94 -5.652 10.090 -1.763 1.00 4.40 C ATOM 1562 O ASN A 94 -5.915 9.478 -0.733 1.00 15.04 O ATOM 1563 CB ASN A 94 -7.284 9.412 -3.577 1.00 24.24 C ATOM 1564 CG ASN A 94 -8.447 9.791 -4.505 1.00 5.23 C ATOM 1565 OD1 ASN A 94 -8.234 10.241 -5.627 1.00 41.14 O ATOM 1566 ND2 ASN A 94 -9.683 9.613 -4.053 1.00 74.24 N ATOM 0 H ASN A 94 -6.215 11.491 -4.500 1.00 65.25 H new ATOM 0 HA ASN A 94 -7.614 10.940 -2.066 1.00 14.15 H new ATOM 0 HB2 ASN A 94 -6.452 9.050 -4.181 1.00 24.24 H new ATOM 0 HB3 ASN A 94 -7.596 8.587 -2.936 1.00 24.24 H new ATOM 0 HD21 ASN A 94 -10.481 9.852 -4.642 1.00 74.24 H new ATOM 0 HD22 ASN A 94 -9.835 9.237 -3.117 1.00 74.24 H new ATOM 1573 N VAL A 95 -4.397 10.380 -2.154 1.00 12.20 N ATOM 1574 CA VAL A 95 -3.178 9.907 -1.458 1.00 22.02 C ATOM 1575 C VAL A 95 -2.660 10.998 -0.483 1.00 44.55 C ATOM 1576 O VAL A 95 -2.526 12.152 -0.881 1.00 44.32 O ATOM 1577 CB VAL A 95 -2.056 9.558 -2.524 1.00 62.24 C ATOM 1578 CG1 VAL A 95 -0.731 9.107 -1.863 1.00 3.14 C ATOM 1579 CG2 VAL A 95 -2.556 8.489 -3.530 1.00 2.03 C ATOM 0 H VAL A 95 -4.195 10.956 -2.971 1.00 12.20 H new ATOM 0 HA VAL A 95 -3.421 9.012 -0.885 1.00 22.02 H new ATOM 0 HB VAL A 95 -1.846 10.478 -3.069 1.00 62.24 H new ATOM 0 HG11 VAL A 95 0.003 8.880 -2.637 1.00 3.14 H new ATOM 0 HG12 VAL A 95 -0.352 9.906 -1.226 1.00 3.14 H new ATOM 0 HG13 VAL A 95 -0.910 8.217 -1.260 1.00 3.14 H new ATOM 0 HG21 VAL A 95 -1.767 8.269 -4.249 1.00 2.03 H new ATOM 0 HG22 VAL A 95 -2.821 7.579 -2.992 1.00 2.03 H new ATOM 0 HG23 VAL A 95 -3.432 8.867 -4.057 1.00 2.03 H new ATOM 1589 N THR A 96 -2.420 10.637 0.797 1.00 62.41 N ATOM 1590 CA THR A 96 -1.730 11.518 1.771 1.00 1.24 C ATOM 1591 C THR A 96 -0.567 10.755 2.436 1.00 1.21 C ATOM 1592 O THR A 96 -0.686 9.567 2.725 1.00 24.34 O ATOM 1593 CB THR A 96 -2.703 12.101 2.867 1.00 60.32 C ATOM 1594 OG1 THR A 96 -1.983 12.990 3.747 1.00 2.25 O ATOM 1595 CG2 THR A 96 -3.399 11.019 3.712 1.00 60.41 C ATOM 0 H THR A 96 -2.696 9.734 1.184 1.00 62.41 H new ATOM 0 HA THR A 96 -1.342 12.371 1.214 1.00 1.24 H new ATOM 0 HB THR A 96 -3.481 12.636 2.323 1.00 60.32 H new ATOM 0 HG1 THR A 96 -2.596 13.348 4.423 1.00 2.25 H new ATOM 0 HG21 THR A 96 -4.052 11.493 4.444 1.00 60.41 H new ATOM 0 HG22 THR A 96 -3.991 10.374 3.062 1.00 60.41 H new ATOM 0 HG23 THR A 96 -2.648 10.422 4.229 1.00 60.41 H new ATOM 1603 N TRP A 97 0.559 11.457 2.656 1.00 24.44 N ATOM 1604 CA TRP A 97 1.763 10.900 3.300 1.00 1.24 C ATOM 1605 C TRP A 97 1.967 11.549 4.667 1.00 62.10 C ATOM 1606 O TRP A 97 1.823 12.765 4.805 1.00 0.00 O ATOM 1607 CB TRP A 97 3.012 11.127 2.407 1.00 11.41 C ATOM 1608 CG TRP A 97 3.117 10.137 1.270 1.00 32.55 C ATOM 1609 CD1 TRP A 97 2.530 10.210 0.032 1.00 51.31 C ATOM 1610 CD2 TRP A 97 3.848 8.903 1.294 1.00 23.30 C ATOM 1611 NE1 TRP A 97 2.848 9.090 -0.701 1.00 64.44 N ATOM 1612 CE2 TRP A 97 3.660 8.278 0.052 1.00 20.21 C ATOM 1613 CE3 TRP A 97 4.644 8.267 2.258 1.00 64.30 C ATOM 1614 CZ2 TRP A 97 4.239 7.051 -0.256 1.00 64.25 C ATOM 1615 CZ3 TRP A 97 5.221 7.048 1.950 1.00 0.25 C ATOM 1616 CH2 TRP A 97 5.013 6.451 0.701 1.00 63.00 C ATOM 0 H TRP A 97 0.660 12.436 2.389 1.00 24.44 H new ATOM 0 HA TRP A 97 1.625 9.827 3.432 1.00 1.24 H new ATOM 0 HB2 TRP A 97 2.981 12.137 1.999 1.00 11.41 H new ATOM 0 HB3 TRP A 97 3.909 11.060 3.023 1.00 11.41 H new ATOM 0 HD1 TRP A 97 1.911 11.024 -0.315 1.00 51.31 H new ATOM 0 HE1 TRP A 97 2.532 8.894 -1.651 1.00 64.44 H new ATOM 0 HE3 TRP A 97 4.804 8.721 3.225 1.00 64.30 H new ATOM 0 HZ2 TRP A 97 4.083 6.587 -1.219 1.00 64.25 H new ATOM 0 HZ3 TRP A 97 5.840 6.551 2.682 1.00 0.25 H new ATOM 0 HH2 TRP A 97 5.473 5.497 0.488 1.00 63.00 H new ATOM 1627 N ASP A 98 2.306 10.713 5.663 1.00 5.43 N ATOM 1628 CA ASP A 98 2.544 11.128 7.055 1.00 4.30 C ATOM 1629 C ASP A 98 3.698 10.280 7.615 1.00 12.21 C ATOM 1630 O ASP A 98 3.478 9.190 8.160 1.00 50.24 O ATOM 1631 CB ASP A 98 1.256 10.970 7.928 1.00 51.42 C ATOM 1632 CG ASP A 98 0.156 11.989 7.573 1.00 72.14 C ATOM 1633 OD1 ASP A 98 -0.638 11.729 6.638 1.00 64.45 O ATOM 1634 OD2 ASP A 98 0.091 13.059 8.218 1.00 2.43 O ATOM 0 H ASP A 98 2.424 9.710 5.520 1.00 5.43 H new ATOM 0 HA ASP A 98 2.809 12.185 7.081 1.00 4.30 H new ATOM 0 HB2 ASP A 98 0.862 9.961 7.804 1.00 51.42 H new ATOM 0 HB3 ASP A 98 1.521 11.082 8.979 1.00 51.42 H new ATOM 1639 N GLY A 99 4.934 10.770 7.391 1.00 41.24 N ATOM 1640 CA GLY A 99 6.160 10.145 7.900 1.00 22.01 C ATOM 1641 C GLY A 99 6.530 8.848 7.181 1.00 73.24 C ATOM 1642 O GLY A 99 7.336 8.850 6.241 1.00 42.31 O ATOM 0 H GLY A 99 5.105 11.616 6.848 1.00 41.24 H new ATOM 0 HA2 GLY A 99 6.985 10.851 7.804 1.00 22.01 H new ATOM 0 HA3 GLY A 99 6.038 9.939 8.963 1.00 22.01 H new ATOM 1646 N ASP A 100 5.918 7.743 7.620 1.00 60.02 N ATOM 1647 CA ASP A 100 6.201 6.381 7.116 1.00 44.25 C ATOM 1648 C ASP A 100 4.919 5.666 6.655 1.00 62.33 C ATOM 1649 O ASP A 100 4.973 4.559 6.101 1.00 4.15 O ATOM 1650 CB ASP A 100 6.896 5.557 8.233 1.00 3.02 C ATOM 1651 CG ASP A 100 6.041 5.292 9.506 1.00 31.22 C ATOM 1652 OD1 ASP A 100 5.088 6.061 9.802 1.00 62.45 O ATOM 1653 OD2 ASP A 100 6.350 4.332 10.246 1.00 72.33 O ATOM 0 H ASP A 100 5.201 7.762 8.345 1.00 60.02 H new ATOM 0 HA ASP A 100 6.858 6.466 6.250 1.00 44.25 H new ATOM 0 HB2 ASP A 100 7.200 4.597 7.815 1.00 3.02 H new ATOM 0 HB3 ASP A 100 7.806 6.078 8.531 1.00 3.02 H new ATOM 1658 N THR A 101 3.768 6.309 6.899 1.00 51.10 N ATOM 1659 CA THR A 101 2.445 5.748 6.603 1.00 74.32 C ATOM 1660 C THR A 101 1.755 6.615 5.536 1.00 24.12 C ATOM 1661 O THR A 101 1.759 7.847 5.639 1.00 22.01 O ATOM 1662 CB THR A 101 1.572 5.698 7.907 1.00 42.42 C ATOM 1663 OG1 THR A 101 2.307 5.043 8.960 1.00 64.41 O ATOM 1664 CG2 THR A 101 0.233 4.959 7.698 1.00 54.01 C ATOM 0 H THR A 101 3.731 7.241 7.311 1.00 51.10 H new ATOM 0 HA THR A 101 2.559 4.732 6.226 1.00 74.32 H new ATOM 0 HB THR A 101 1.345 6.729 8.176 1.00 42.42 H new ATOM 0 HG1 THR A 101 3.087 5.585 9.201 1.00 64.41 H new ATOM 0 HG21 THR A 101 -0.330 4.955 8.631 1.00 54.01 H new ATOM 0 HG22 THR A 101 -0.347 5.467 6.927 1.00 54.01 H new ATOM 0 HG23 THR A 101 0.428 3.933 7.387 1.00 54.01 H new ATOM 1672 N VAL A 102 1.187 5.960 4.518 1.00 31.11 N ATOM 1673 CA VAL A 102 0.421 6.610 3.447 1.00 0.24 C ATOM 1674 C VAL A 102 -1.047 6.135 3.521 1.00 1.42 C ATOM 1675 O VAL A 102 -1.323 4.940 3.505 1.00 32.24 O ATOM 1676 CB VAL A 102 1.050 6.317 2.025 1.00 74.51 C ATOM 1677 CG1 VAL A 102 1.230 4.807 1.754 1.00 61.52 C ATOM 1678 CG2 VAL A 102 0.229 6.992 0.903 1.00 22.22 C ATOM 0 H VAL A 102 1.247 4.947 4.413 1.00 31.11 H new ATOM 0 HA VAL A 102 0.457 7.690 3.587 1.00 0.24 H new ATOM 0 HB VAL A 102 2.048 6.754 2.028 1.00 74.51 H new ATOM 0 HG11 VAL A 102 1.665 4.664 0.765 1.00 61.52 H new ATOM 0 HG12 VAL A 102 1.892 4.379 2.507 1.00 61.52 H new ATOM 0 HG13 VAL A 102 0.260 4.311 1.799 1.00 61.52 H new ATOM 0 HG21 VAL A 102 0.684 6.774 -0.063 1.00 22.22 H new ATOM 0 HG22 VAL A 102 -0.791 6.609 0.918 1.00 22.22 H new ATOM 0 HG23 VAL A 102 0.214 8.070 1.062 1.00 22.22 H new ATOM 1688 N THR A 103 -1.982 7.084 3.652 1.00 24.44 N ATOM 1689 CA THR A 103 -3.417 6.794 3.671 1.00 3.42 C ATOM 1690 C THR A 103 -4.027 7.256 2.345 1.00 44.30 C ATOM 1691 O THR A 103 -3.997 8.439 2.007 1.00 24.43 O ATOM 1692 CB THR A 103 -4.125 7.484 4.876 1.00 42.20 C ATOM 1693 OG1 THR A 103 -3.486 7.075 6.096 1.00 31.23 O ATOM 1694 CG2 THR A 103 -5.629 7.148 4.947 1.00 13.55 C ATOM 0 H THR A 103 -1.762 8.075 3.748 1.00 24.44 H new ATOM 0 HA THR A 103 -3.562 5.720 3.792 1.00 3.42 H new ATOM 0 HB THR A 103 -4.038 8.562 4.737 1.00 42.20 H new ATOM 0 HG1 THR A 103 -3.927 7.507 6.857 1.00 31.23 H new ATOM 0 HG21 THR A 103 -6.075 7.653 5.804 1.00 13.55 H new ATOM 0 HG22 THR A 103 -6.120 7.482 4.033 1.00 13.55 H new ATOM 0 HG23 THR A 103 -5.756 6.071 5.055 1.00 13.55 H new ATOM 1702 N VAL A 104 -4.513 6.293 1.578 1.00 34.02 N ATOM 1703 CA VAL A 104 -5.227 6.533 0.329 1.00 31.22 C ATOM 1704 C VAL A 104 -6.703 6.198 0.534 1.00 43.13 C ATOM 1705 O VAL A 104 -7.056 5.028 0.717 1.00 11.21 O ATOM 1706 CB VAL A 104 -4.628 5.650 -0.828 1.00 41.45 C ATOM 1707 CG1 VAL A 104 -5.320 5.923 -2.184 1.00 14.45 C ATOM 1708 CG2 VAL A 104 -3.106 5.854 -0.923 1.00 11.20 C ATOM 0 H VAL A 104 -4.422 5.304 1.808 1.00 34.02 H new ATOM 0 HA VAL A 104 -5.120 7.580 0.046 1.00 31.22 H new ATOM 0 HB VAL A 104 -4.822 4.605 -0.584 1.00 41.45 H new ATOM 0 HG11 VAL A 104 -4.875 5.292 -2.953 1.00 14.45 H new ATOM 0 HG12 VAL A 104 -6.384 5.699 -2.101 1.00 14.45 H new ATOM 0 HG13 VAL A 104 -5.190 6.971 -2.454 1.00 14.45 H new ATOM 0 HG21 VAL A 104 -2.706 5.237 -1.727 1.00 11.20 H new ATOM 0 HG22 VAL A 104 -2.892 6.903 -1.129 1.00 11.20 H new ATOM 0 HG23 VAL A 104 -2.641 5.567 0.020 1.00 11.20 H new ATOM 1718 N GLU A 105 -7.566 7.225 0.528 1.00 44.40 N ATOM 1719 CA GLU A 105 -9.018 7.028 0.570 1.00 3.34 C ATOM 1720 C GLU A 105 -9.540 7.065 -0.864 1.00 44.45 C ATOM 1721 O GLU A 105 -9.500 8.116 -1.511 1.00 22.22 O ATOM 1722 CB GLU A 105 -9.732 8.102 1.436 1.00 20.25 C ATOM 1723 CG GLU A 105 -9.343 8.085 2.923 1.00 12.15 C ATOM 1724 CD GLU A 105 -10.273 8.943 3.785 1.00 52.32 C ATOM 1725 OE1 GLU A 105 -11.360 8.457 4.172 1.00 51.41 O ATOM 1726 OE2 GLU A 105 -9.943 10.115 4.074 1.00 5.03 O ATOM 0 H GLU A 105 -7.279 8.203 0.494 1.00 44.40 H new ATOM 0 HA GLU A 105 -9.232 6.066 1.035 1.00 3.34 H new ATOM 0 HB2 GLU A 105 -9.509 9.087 1.027 1.00 20.25 H new ATOM 0 HB3 GLU A 105 -10.809 7.959 1.354 1.00 20.25 H new ATOM 0 HG2 GLU A 105 -9.361 7.058 3.288 1.00 12.15 H new ATOM 0 HG3 GLU A 105 -8.320 8.444 3.031 1.00 12.15 H new ATOM 1733 N GLY A 106 -10.011 5.913 -1.347 1.00 43.12 N ATOM 1734 CA GLY A 106 -10.484 5.772 -2.719 1.00 22.32 C ATOM 1735 C GLY A 106 -11.944 5.382 -2.784 1.00 33.33 C ATOM 1736 O GLY A 106 -12.600 5.179 -1.751 1.00 34.30 O ATOM 0 H GLY A 106 -10.074 5.056 -0.797 1.00 43.12 H new ATOM 0 HA2 GLY A 106 -10.337 6.712 -3.250 1.00 22.32 H new ATOM 0 HA3 GLY A 106 -9.886 5.019 -3.232 1.00 22.32 H new ATOM 1740 N GLN A 107 -12.451 5.283 -4.012 1.00 75.12 N ATOM 1741 CA GLN A 107 -13.828 4.865 -4.295 1.00 51.42 C ATOM 1742 C GLN A 107 -13.797 3.642 -5.219 1.00 4.45 C ATOM 1743 O GLN A 107 -12.926 3.528 -6.098 1.00 70.34 O ATOM 1744 CB GLN A 107 -14.672 6.027 -4.919 1.00 25.32 C ATOM 1745 CG GLN A 107 -14.317 6.447 -6.370 1.00 74.13 C ATOM 1746 CD GLN A 107 -12.908 7.046 -6.538 1.00 1.34 C ATOM 1747 OE1 GLN A 107 -12.376 7.705 -5.642 1.00 24.14 O ATOM 1748 NE2 GLN A 107 -12.295 6.819 -7.686 1.00 75.42 N ATOM 0 H GLN A 107 -11.911 5.493 -4.852 1.00 75.12 H new ATOM 0 HA GLN A 107 -14.316 4.599 -3.357 1.00 51.42 H new ATOM 0 HB2 GLN A 107 -15.722 5.734 -4.897 1.00 25.32 H new ATOM 0 HB3 GLN A 107 -14.572 6.902 -4.277 1.00 25.32 H new ATOM 0 HG2 GLN A 107 -14.407 5.576 -7.019 1.00 74.13 H new ATOM 0 HG3 GLN A 107 -15.051 7.176 -6.713 1.00 74.13 H new ATOM 0 HE21 GLN A 107 -12.757 6.271 -8.411 1.00 75.42 H new ATOM 0 HE22 GLN A 107 -11.359 7.192 -7.847 1.00 75.42 H new