USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 816 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 32 ASN : amide:sc= -0.423 K(o=-1.7,f=-2.3) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.27 X(o=-1.7,f=-1.9!) USER MOD Single : A 2 SER OG : rot 28:sc= 0.218 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -2.61 K(o=-2.6,f=-9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.53 X(o=-2.5,f=-2.9) USER MOD Single : A 58 SER OG : rot 53:sc= 1.12 USER MOD Single : A 62 THR OG1 : rot 55:sc= 0.00667 USER MOD Single : A 64 THR OG1 : rot -160:sc= -0.826 USER MOD Single : A 70 MET CE :methyl -174:sc= -2.76 (180deg=-2.99) USER MOD Single : A 74 SER OG : rot 120:sc= -0.41 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -49:sc= 1.23 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 77:sc= 1.2 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.186 -2.068 0.052 1.00 23.13 N ATOM 19 CA SER A 2 4.154 -3.159 0.103 1.00 70.22 C ATOM 20 C SER A 2 3.840 -4.213 -0.954 1.00 60.42 C ATOM 21 O SER A 2 2.986 -4.009 -1.817 1.00 33.03 O ATOM 22 CB SER A 2 4.160 -3.797 1.493 1.00 14.01 C ATOM 23 OG SER A 2 4.254 -2.813 2.507 1.00 44.23 O ATOM 0 HA SER A 2 5.142 -2.747 -0.104 1.00 70.22 H new ATOM 0 HB2 SER A 2 3.250 -4.381 1.632 1.00 14.01 H new ATOM 0 HB3 SER A 2 4.998 -4.489 1.575 1.00 14.01 H new ATOM 0 HG SER A 2 3.864 -1.974 2.185 1.00 44.23 H new ATOM 29 N VAL A 3 4.538 -5.342 -0.878 1.00 5.10 N ATOM 30 CA VAL A 3 4.334 -6.432 -1.826 1.00 74.43 C ATOM 31 C VAL A 3 2.855 -6.781 -1.953 1.00 53.33 C ATOM 32 O VAL A 3 2.404 -7.244 -2.999 1.00 14.34 O ATOM 33 CB VAL A 3 5.114 -7.692 -1.409 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.307 -8.516 -0.418 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.479 -8.521 -2.631 1.00 71.40 C ATOM 0 H VAL A 3 5.249 -5.526 -0.170 1.00 5.10 H new ATOM 0 HA VAL A 3 4.706 -6.086 -2.790 1.00 74.43 H new ATOM 0 HB VAL A 3 6.037 -7.381 -0.920 1.00 11.31 H new ATOM 0 HG11 VAL A 3 4.874 -9.403 -0.135 1.00 62.02 H new ATOM 0 HG12 VAL A 3 4.101 -7.918 0.470 1.00 62.02 H new ATOM 0 HG13 VAL A 3 3.366 -8.819 -0.878 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.030 -9.408 -2.318 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.570 -8.823 -3.150 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.099 -7.927 -3.302 1.00 71.40 H new ATOM 45 N GLU A 4 2.105 -6.554 -0.878 1.00 43.03 N ATOM 46 CA GLU A 4 0.676 -6.845 -0.870 1.00 11.43 C ATOM 47 C GLU A 4 -0.053 -6.028 -1.933 1.00 22.33 C ATOM 48 O GLU A 4 -1.000 -6.505 -2.558 1.00 35.51 O ATOM 49 CB GLU A 4 0.082 -6.554 0.510 1.00 73.40 C ATOM 50 CG GLU A 4 -1.435 -6.630 0.548 1.00 34.13 C ATOM 51 CD GLU A 4 -1.999 -6.360 1.929 1.00 73.21 C ATOM 52 OE1 GLU A 4 -3.049 -6.945 2.265 1.00 60.22 O ATOM 53 OE2 GLU A 4 -1.389 -5.566 2.674 1.00 42.52 O1- ATOM 0 H GLU A 4 2.463 -6.170 -0.003 1.00 43.03 H new ATOM 0 HA GLU A 4 0.546 -7.903 -1.098 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.491 -7.264 1.229 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.396 -5.560 0.829 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.849 -5.909 -0.157 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.754 -7.618 0.216 1.00 34.13 H new ATOM 60 N THR A 5 0.398 -4.793 -2.133 1.00 74.04 N ATOM 61 CA THR A 5 -0.212 -3.909 -3.118 1.00 61.14 C ATOM 62 C THR A 5 0.300 -4.214 -4.521 1.00 11.11 C ATOM 63 O THR A 5 -0.403 -3.997 -5.509 1.00 53.10 O ATOM 64 CB THR A 5 0.068 -2.429 -2.793 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.345 -2.136 -1.453 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.661 -1.514 -3.765 1.00 71.31 C ATOM 0 H THR A 5 1.183 -4.383 -1.626 1.00 74.04 H new ATOM 0 HA THR A 5 -1.287 -4.086 -3.079 1.00 61.14 H new ATOM 0 HB THR A 5 1.140 -2.255 -2.889 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.162 -1.194 -1.253 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.448 -0.475 -3.516 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.324 -1.720 -4.781 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.734 -1.691 -3.696 1.00 71.31 H new ATOM 74 N ILE A 6 1.526 -4.718 -4.602 1.00 14.44 N ATOM 75 CA ILE A 6 2.130 -5.055 -5.886 1.00 13.03 C ATOM 76 C ILE A 6 1.533 -6.338 -6.455 1.00 73.35 C ATOM 77 O ILE A 6 1.177 -6.401 -7.632 1.00 33.51 O ATOM 78 CB ILE A 6 3.656 -5.222 -5.764 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.235 -4.155 -4.834 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.309 -5.147 -7.137 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.824 -2.746 -5.200 1.00 64.21 C ATOM 0 H ILE A 6 2.121 -4.902 -3.794 1.00 14.44 H new ATOM 0 HA ILE A 6 1.916 -4.227 -6.562 1.00 13.03 H new ATOM 0 HB ILE A 6 3.866 -6.202 -5.336 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.917 -4.364 -3.813 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.323 -4.223 -4.849 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.387 -5.267 -7.034 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.915 -5.941 -7.771 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.093 -4.180 -7.590 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.271 -2.042 -4.498 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.166 -2.518 -6.210 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.738 -2.661 -5.157 1.00 64.21 H new ATOM 93 N ILE A 7 1.422 -7.358 -5.610 1.00 51.41 N ATOM 94 CA ILE A 7 0.866 -8.639 -6.028 1.00 0.02 C ATOM 95 C ILE A 7 -0.654 -8.566 -6.141 1.00 53.31 C ATOM 96 O ILE A 7 -1.264 -9.310 -6.907 1.00 54.10 O ATOM 97 CB ILE A 7 1.244 -9.764 -5.047 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.753 -10.009 -5.076 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.487 -11.039 -5.388 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.268 -10.452 -6.428 1.00 52.51 C ATOM 0 H ILE A 7 1.710 -7.322 -4.632 1.00 51.41 H new ATOM 0 HA ILE A 7 1.291 -8.865 -7.006 1.00 0.02 H new ATOM 0 HB ILE A 7 0.965 -9.458 -4.039 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.267 -9.094 -4.783 1.00 70.25 H new ATOM 0 HG13 ILE A 7 3.004 -10.767 -4.334 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.764 -11.826 -4.686 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.585 -10.854 -5.321 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.739 -11.352 -6.401 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.346 -10.607 -6.374 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.781 -11.384 -6.715 1.00 52.51 H new ATOM 0 HD13 ILE A 7 3.049 -9.685 -7.170 1.00 52.51 H new ATOM 112 N GLU A 8 -1.256 -7.664 -5.374 1.00 35.43 N ATOM 113 CA GLU A 8 -2.704 -7.494 -5.389 1.00 71.25 C ATOM 114 C GLU A 8 -3.220 -7.349 -6.818 1.00 71.52 C ATOM 115 O GLU A 8 -4.179 -8.012 -7.213 1.00 32.54 O ATOM 116 CB GLU A 8 -3.106 -6.270 -4.563 1.00 71.25 C ATOM 117 CG GLU A 8 -3.806 -6.617 -3.260 1.00 15.12 C ATOM 118 CD GLU A 8 -5.317 -6.613 -3.392 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.895 -7.697 -3.623 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.921 -5.528 -3.265 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.764 -7.040 -4.735 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.153 -8.384 -4.947 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.215 -5.683 -4.341 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -3.763 -5.638 -5.161 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.477 -7.601 -2.925 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.510 -5.903 -2.491 1.00 15.12 H new ATOM 127 N ARG A 9 -2.577 -6.476 -7.586 1.00 14.15 N ATOM 128 CA ARG A 9 -2.972 -6.241 -8.971 1.00 33.34 C ATOM 129 C ARG A 9 -2.524 -7.394 -9.866 1.00 22.34 C ATOM 130 O ARG A 9 -3.224 -7.767 -10.808 1.00 52.23 O ATOM 131 CB ARG A 9 -2.376 -4.927 -9.477 1.00 41.22 C ATOM 132 CG ARG A 9 -0.860 -4.946 -9.583 1.00 63.41 C ATOM 133 CD ARG A 9 -0.252 -3.632 -9.119 1.00 44.44 C ATOM 134 NE ARG A 9 0.314 -2.869 -10.229 1.00 1.20 N ATOM 135 CZ ARG A 9 -0.406 -2.089 -11.029 1.00 43.43 C ATOM 136 NH1 ARG A 9 -1.712 -1.969 -10.841 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 0.183 -1.427 -12.017 1.00 51.24 N ATOM 0 H ARG A 9 -1.781 -5.920 -7.274 1.00 14.15 H new ATOM 0 HA ARG A 9 -4.059 -6.176 -9.007 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -2.797 -4.700 -10.456 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -2.675 -4.121 -8.807 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -0.463 -5.764 -8.982 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -0.569 -5.138 -10.616 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -1.016 -3.035 -8.621 1.00 44.44 H new ATOM 0 HD3 ARG A 9 0.526 -3.833 -8.383 1.00 44.44 H new ATOM 0 HE ARG A 9 1.317 -2.939 -10.399 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -2.167 -2.476 -10.081 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -2.263 -1.370 -11.456 1.00 23.04 H new ATOM 0 HH21 ARG A 9 1.189 -1.517 -12.163 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -0.370 -0.829 -12.631 1.00 51.24 H new ATOM 151 N ILE A 10 -1.356 -7.950 -9.564 1.00 40.41 N ATOM 152 CA ILE A 10 -0.817 -9.059 -10.342 1.00 14.34 C ATOM 153 C ILE A 10 -1.811 -10.213 -10.418 1.00 62.03 C ATOM 154 O ILE A 10 -2.194 -10.647 -11.505 1.00 74.00 O ATOM 155 CB ILE A 10 0.505 -9.575 -9.743 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.615 -8.537 -9.930 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.897 -10.898 -10.385 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.897 -8.888 -9.210 1.00 13.02 C ATOM 0 H ILE A 10 -0.765 -7.652 -8.788 1.00 40.41 H new ATOM 0 HA ILE A 10 -0.629 -8.678 -11.346 1.00 14.34 H new ATOM 0 HB ILE A 10 0.363 -9.739 -8.675 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.824 -8.428 -10.994 1.00 24.51 H new ATOM 0 HG13 ILE A 10 1.261 -7.570 -9.574 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.833 -11.250 -9.951 1.00 55.12 H new ATOM 0 HG22 ILE A 10 0.114 -11.635 -10.206 1.00 55.12 H new ATOM 0 HG23 ILE A 10 1.025 -10.758 -11.458 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.639 -8.109 -9.387 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.703 -8.969 -8.140 1.00 13.02 H new ATOM 0 HD13 ILE A 10 3.275 -9.840 -9.583 1.00 13.02 H new ATOM 170 N LYS A 11 -2.229 -10.704 -9.256 1.00 61.13 N ATOM 171 CA LYS A 11 -3.183 -11.805 -9.190 1.00 50.23 C ATOM 172 C LYS A 11 -4.527 -11.398 -9.784 1.00 62.52 C ATOM 173 O LYS A 11 -5.196 -12.199 -10.435 1.00 43.22 O ATOM 174 CB LYS A 11 -3.370 -12.257 -7.739 1.00 4.34 C ATOM 175 CG LYS A 11 -3.547 -11.108 -6.762 1.00 75.22 C ATOM 176 CD LYS A 11 -4.693 -11.366 -5.799 1.00 21.30 C ATOM 177 CE LYS A 11 -6.021 -10.896 -6.373 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.162 -11.231 -5.477 1.00 13.21 N1+ ATOM 0 H LYS A 11 -1.922 -10.357 -8.347 1.00 61.13 H new ATOM 0 HA LYS A 11 -2.784 -12.634 -9.775 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.241 -12.910 -7.680 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -2.506 -12.849 -7.438 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -2.624 -10.962 -6.200 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -3.734 -10.186 -7.313 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -4.749 -12.431 -5.576 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.501 -10.852 -4.857 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -5.987 -9.818 -6.531 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -6.178 -11.356 -7.349 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.049 -10.894 -5.903 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.210 -12.262 -5.347 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.025 -10.771 -4.554 1.00 13.21 H new ATOM 192 N ALA A 12 -4.915 -10.148 -9.554 1.00 55.14 N ATOM 193 CA ALA A 12 -6.178 -9.633 -10.070 1.00 34.34 C ATOM 194 C ALA A 12 -6.258 -9.794 -11.585 1.00 55.24 C ATOM 195 O ALA A 12 -7.295 -10.182 -12.123 1.00 10.40 O ATOM 196 CB ALA A 12 -6.351 -8.172 -9.682 1.00 45.33 C ATOM 0 H ALA A 12 -4.373 -9.473 -9.014 1.00 55.14 H new ATOM 0 HA ALA A 12 -6.987 -10.213 -9.626 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.298 -7.801 -10.074 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.347 -8.081 -8.596 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.532 -7.586 -10.098 1.00 45.33 H new ATOM 202 N ARG A 13 -5.158 -9.493 -12.266 1.00 1.42 N ATOM 203 CA ARG A 13 -5.105 -9.602 -13.719 1.00 42.34 C ATOM 204 C ARG A 13 -5.000 -11.062 -14.151 1.00 75.41 C ATOM 205 O ARG A 13 -5.606 -11.473 -15.140 1.00 71.34 O ATOM 206 CB ARG A 13 -3.917 -8.811 -14.268 1.00 55.21 C ATOM 207 CG ARG A 13 -3.942 -7.337 -13.895 1.00 12.20 C ATOM 208 CD ARG A 13 -5.077 -6.605 -14.594 1.00 25.52 C ATOM 209 NE ARG A 13 -5.570 -5.479 -13.806 1.00 14.11 N ATOM 210 CZ ARG A 13 -6.266 -4.470 -14.319 1.00 35.11 C ATOM 211 NH1 ARG A 13 -6.550 -4.448 -15.614 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -6.681 -3.482 -13.536 1.00 54.31 N ATOM 0 H ARG A 13 -4.291 -9.172 -11.835 1.00 1.42 H new ATOM 0 HA ARG A 13 -6.028 -9.186 -14.123 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -2.993 -9.255 -13.898 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.901 -8.902 -15.354 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -4.052 -7.236 -12.815 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -2.991 -6.877 -14.163 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -4.733 -6.246 -15.564 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -5.895 -7.301 -14.783 1.00 25.52 H new ATOM 0 HE ARG A 13 -5.369 -5.466 -12.806 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -6.234 -5.207 -16.218 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -7.084 -3.673 -16.006 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -6.466 -3.497 -12.539 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -7.215 -2.708 -13.931 1.00 54.31 H new ATOM 226 N VAL A 14 -4.225 -11.841 -13.403 1.00 22.42 N ATOM 227 CA VAL A 14 -4.041 -13.256 -13.707 1.00 65.13 C ATOM 228 C VAL A 14 -5.380 -13.948 -13.932 1.00 11.41 C ATOM 229 O VAL A 14 -5.571 -14.645 -14.928 1.00 11.41 O ATOM 230 CB VAL A 14 -3.285 -13.979 -12.578 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.175 -15.466 -12.875 1.00 11.02 C ATOM 232 CG2 VAL A 14 -1.907 -13.364 -12.380 1.00 61.14 C ATOM 0 H VAL A 14 -3.714 -11.516 -12.582 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.450 -13.309 -14.621 1.00 65.13 H new ATOM 0 HB VAL A 14 -3.849 -13.858 -11.653 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.637 -15.960 -12.066 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.173 -15.894 -12.962 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.635 -15.611 -13.811 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.387 -13.888 -11.578 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.333 -13.452 -13.303 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.013 -12.311 -12.117 1.00 61.14 H new ATOM 242 N GLY A 15 -6.307 -13.750 -12.999 1.00 21.44 N ATOM 243 CA GLY A 15 -7.618 -14.363 -13.115 1.00 52.30 C ATOM 244 C GLY A 15 -8.585 -13.515 -13.918 1.00 73.25 C ATOM 245 O GLY A 15 -9.784 -13.791 -13.951 1.00 42.21 O ATOM 0 H GLY A 15 -6.174 -13.177 -12.166 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.518 -15.340 -13.587 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.027 -14.530 -12.119 1.00 52.30 H new ATOM 249 N ALA A 16 -8.063 -12.480 -14.569 1.00 11.20 N ATOM 250 CA ALA A 16 -8.888 -11.592 -15.376 1.00 51.25 C ATOM 251 C ALA A 16 -8.385 -11.531 -16.815 1.00 3.23 C ATOM 252 O ALA A 16 -8.911 -10.780 -17.637 1.00 4.14 O ATOM 253 CB ALA A 16 -8.916 -10.198 -14.766 1.00 14.21 C ATOM 0 H ALA A 16 -7.073 -12.237 -14.553 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.902 -11.992 -15.390 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.536 -9.545 -15.380 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.329 -10.250 -13.759 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.902 -9.800 -14.722 1.00 14.21 H new ATOM 259 N VAL A 17 -7.361 -12.324 -17.112 1.00 61.40 N ATOM 260 CA VAL A 17 -6.787 -12.362 -18.452 1.00 25.41 C ATOM 261 C VAL A 17 -7.866 -12.574 -19.508 1.00 62.03 C ATOM 262 O VAL A 17 -8.802 -13.348 -19.306 1.00 65.32 O ATOM 263 CB VAL A 17 -5.732 -13.477 -18.580 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.416 -13.748 -20.043 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.471 -13.107 -17.814 1.00 53.34 C ATOM 0 H VAL A 17 -6.912 -12.949 -16.443 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.307 -11.397 -18.617 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.139 -14.390 -18.146 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.669 -14.539 -20.113 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.324 -14.060 -20.560 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.029 -12.840 -20.506 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.736 -13.906 -17.915 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.059 -12.182 -18.217 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.713 -12.968 -16.760 1.00 53.34 H new ATOM 275 N ASP A 18 -7.729 -11.882 -20.633 1.00 53.03 N ATOM 276 CA ASP A 18 -8.692 -11.996 -21.723 1.00 53.12 C ATOM 277 C ASP A 18 -8.138 -12.864 -22.849 1.00 33.02 C ATOM 278 O ASP A 18 -6.941 -12.863 -23.135 1.00 11.13 O ATOM 279 CB ASP A 18 -9.053 -10.611 -22.260 1.00 41.05 C ATOM 280 CG ASP A 18 -10.101 -9.917 -21.414 1.00 3.44 C ATOM 281 OD1 ASP A 18 -11.279 -10.330 -21.470 1.00 41.35 O ATOM 282 OD2 ASP A 18 -9.745 -8.960 -20.694 1.00 43.50 O1- ATOM 0 H ASP A 18 -6.961 -11.236 -20.815 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.592 -12.471 -21.332 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -8.155 -9.994 -22.299 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -9.420 -10.705 -23.282 1.00 41.05 H new ATOM 287 N PRO A 19 -9.029 -13.624 -23.504 1.00 61.33 N ATOM 288 CA PRO A 19 -8.652 -14.510 -24.608 1.00 24.45 C ATOM 289 C PRO A 19 -8.244 -13.738 -25.858 1.00 52.45 C ATOM 290 O PRO A 19 -7.725 -14.314 -26.813 1.00 60.01 O ATOM 291 CB PRO A 19 -9.929 -15.314 -24.869 1.00 44.51 C ATOM 292 CG PRO A 19 -11.033 -14.439 -24.384 1.00 61.04 C ATOM 293 CD PRO A 19 -10.473 -13.674 -23.216 1.00 65.12 C ATOM 0 HA PRO A 19 -7.787 -15.125 -24.360 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.042 -15.544 -25.928 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -9.914 -16.265 -24.336 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.368 -13.762 -25.170 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -11.897 -15.031 -24.084 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -10.904 -12.675 -23.146 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.677 -14.177 -22.271 1.00 65.12 H new ATOM 301 N ASN A 20 -8.484 -12.430 -25.846 1.00 14.21 N ATOM 302 CA ASN A 20 -8.141 -11.580 -26.979 1.00 51.20 C ATOM 303 C ASN A 20 -6.642 -11.302 -27.017 1.00 32.21 C ATOM 304 O ASN A 20 -6.045 -11.201 -28.089 1.00 25.02 O ATOM 305 CB ASN A 20 -8.913 -10.260 -26.905 1.00 64.43 C ATOM 306 CG ASN A 20 -10.037 -10.190 -27.921 1.00 2.35 C ATOM 307 OD1 ASN A 20 -10.024 -9.346 -28.818 1.00 4.13 O ATOM 308 ND2 ASN A 20 -11.014 -11.078 -27.785 1.00 52.44 N ATOM 0 H ASN A 20 -8.915 -11.937 -25.064 1.00 14.21 H new ATOM 0 HA ASN A 20 -8.419 -12.106 -27.892 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -9.325 -10.139 -25.903 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -8.226 -9.430 -27.070 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -11.796 -11.080 -28.439 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -10.982 -11.759 -27.026 1.00 52.44 H new ATOM 315 N GLY A 21 -6.037 -11.182 -25.839 1.00 50.52 N ATOM 316 CA GLY A 21 -4.612 -10.918 -25.760 1.00 62.51 C ATOM 317 C GLY A 21 -3.780 -12.176 -25.918 1.00 11.23 C ATOM 318 O GLY A 21 -3.420 -12.571 -27.027 1.00 25.24 O ATOM 0 H GLY A 21 -6.508 -11.263 -24.938 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -4.335 -10.203 -26.534 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -4.384 -10.453 -24.801 1.00 62.51 H new ATOM 322 N PRO A 22 -3.462 -12.825 -24.789 1.00 62.45 N ATOM 323 CA PRO A 22 -2.663 -14.053 -24.780 1.00 23.24 C ATOM 324 C PRO A 22 -3.419 -15.241 -25.367 1.00 51.52 C ATOM 325 O PRO A 22 -4.460 -15.074 -26.002 1.00 44.23 O ATOM 326 CB PRO A 22 -2.378 -14.282 -23.294 1.00 44.15 C ATOM 327 CG PRO A 22 -3.496 -13.598 -22.585 1.00 54.42 C ATOM 328 CD PRO A 22 -3.859 -12.410 -23.432 1.00 52.42 C ATOM 0 HA PRO A 22 -1.765 -13.958 -25.390 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.349 -15.345 -23.055 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.413 -13.865 -23.007 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.349 -14.266 -22.465 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.192 -13.286 -21.586 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -4.924 -12.187 -23.376 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -3.328 -11.513 -23.115 1.00 52.42 H new ATOM 336 N ARG A 23 -2.890 -16.441 -25.147 1.00 3.14 N ATOM 337 CA ARG A 23 -3.516 -17.656 -25.654 1.00 53.14 C ATOM 338 C ARG A 23 -3.232 -18.839 -24.733 1.00 53.31 C ATOM 339 O ARG A 23 -2.388 -18.756 -23.840 1.00 11.32 O ATOM 340 CB ARG A 23 -3.012 -17.963 -27.065 1.00 65.52 C ATOM 341 CG ARG A 23 -3.532 -17.001 -28.121 1.00 43.32 C ATOM 342 CD ARG A 23 -5.052 -16.992 -28.166 1.00 4.23 C ATOM 343 NE ARG A 23 -5.562 -17.296 -29.500 1.00 13.13 N ATOM 344 CZ ARG A 23 -6.822 -17.636 -29.745 1.00 63.53 C ATOM 345 NH1 ARG A 23 -7.697 -17.715 -28.752 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.210 -17.898 -30.988 1.00 32.33 N ATOM 0 H ARG A 23 -2.030 -16.597 -24.621 1.00 3.14 H new ATOM 0 HA ARG A 23 -4.593 -17.494 -25.687 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -1.922 -17.936 -27.066 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.306 -18.978 -27.334 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.167 -15.996 -27.910 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.140 -17.284 -29.098 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -5.440 -17.721 -27.455 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -5.418 -16.015 -27.852 1.00 4.23 H new ATOM 0 HE ARG A 23 -4.915 -17.244 -30.287 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.403 -17.514 -27.796 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -8.664 -17.976 -28.944 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -6.540 -17.838 -31.755 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -8.178 -18.159 -31.176 1.00 32.33 H new ATOM 360 N LYS A 24 -3.943 -19.939 -24.955 1.00 71.13 N ATOM 361 CA LYS A 24 -3.768 -21.139 -24.145 1.00 41.04 C ATOM 362 C LYS A 24 -2.288 -21.452 -23.948 1.00 22.22 C ATOM 363 O LYS A 24 -1.586 -21.807 -24.896 1.00 21.24 O ATOM 364 CB LYS A 24 -4.468 -22.330 -24.805 1.00 44.53 C ATOM 365 CG LYS A 24 -3.808 -22.786 -26.094 1.00 62.53 C ATOM 366 CD LYS A 24 -4.833 -23.269 -27.106 1.00 63.55 C ATOM 367 CE LYS A 24 -5.159 -24.742 -26.911 1.00 34.31 C ATOM 368 NZ LYS A 24 -5.721 -25.354 -28.147 1.00 63.14 N1+ ATOM 0 H LYS A 24 -4.646 -20.025 -25.689 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.216 -20.956 -23.168 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -4.488 -23.163 -24.103 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.504 -22.062 -25.012 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -3.234 -21.963 -26.521 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -3.103 -23.588 -25.878 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -5.744 -22.678 -27.012 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -4.452 -23.110 -28.115 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -4.256 -25.278 -26.618 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -5.873 -24.851 -26.095 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -5.930 -26.358 -27.973 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -6.596 -24.859 -28.412 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -5.030 -25.273 -28.920 1.00 63.14 H new ATOM 382 N VAL A 25 -1.820 -21.320 -22.711 1.00 32.25 N ATOM 383 CA VAL A 25 -0.424 -21.592 -22.389 1.00 72.11 C ATOM 384 C VAL A 25 -0.306 -22.689 -21.338 1.00 51.12 C ATOM 385 O VAL A 25 -1.308 -23.148 -20.788 1.00 43.45 O ATOM 386 CB VAL A 25 0.290 -20.327 -21.878 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.517 -19.343 -23.016 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.510 -19.681 -20.757 1.00 3.14 C ATOM 0 H VAL A 25 -2.387 -21.026 -21.915 1.00 32.25 H new ATOM 0 HA VAL A 25 0.055 -21.924 -23.310 1.00 72.11 H new ATOM 0 HB VAL A 25 1.263 -20.616 -21.481 1.00 34.14 H new ATOM 0 HG11 VAL A 25 1.023 -18.456 -22.635 1.00 11.11 H new ATOM 0 HG12 VAL A 25 1.134 -19.810 -23.784 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.443 -19.057 -23.446 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.009 -18.788 -20.407 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.498 -19.405 -21.127 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.615 -20.386 -19.932 1.00 3.14 H new ATOM 398 N LEU A 26 0.925 -23.106 -21.062 1.00 52.13 N ATOM 399 CA LEU A 26 1.176 -24.151 -20.075 1.00 53.31 C ATOM 400 C LEU A 26 2.480 -23.892 -19.328 1.00 41.52 C ATOM 401 O LEU A 26 3.441 -23.374 -19.895 1.00 23.31 O ATOM 402 CB LEU A 26 1.227 -25.520 -20.754 1.00 34.22 C ATOM 403 CG LEU A 26 2.449 -25.787 -21.635 1.00 5.53 C ATOM 404 CD1 LEU A 26 2.621 -27.280 -21.870 1.00 50.53 C ATOM 405 CD2 LEU A 26 2.324 -25.048 -22.959 1.00 1.25 C ATOM 0 H LEU A 26 1.765 -22.737 -21.508 1.00 52.13 H new ATOM 0 HA LEU A 26 0.358 -24.140 -19.355 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.186 -26.288 -19.982 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.332 -25.634 -21.365 1.00 34.22 H new ATOM 0 HG LEU A 26 3.334 -25.417 -21.118 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.495 -27.451 -22.499 1.00 50.53 H new ATOM 0 HD12 LEU A 26 2.757 -27.786 -20.914 1.00 50.53 H new ATOM 0 HD13 LEU A 26 1.734 -27.675 -22.366 1.00 50.53 H new ATOM 0 HD21 LEU A 26 3.202 -25.250 -23.573 1.00 1.25 H new ATOM 0 HD22 LEU A 26 1.430 -25.387 -23.482 1.00 1.25 H new ATOM 0 HD23 LEU A 26 2.250 -23.977 -22.772 1.00 1.25 H new ATOM 417 N GLY A 27 2.507 -24.258 -18.049 1.00 11.13 N ATOM 418 CA GLY A 27 3.698 -24.060 -17.246 1.00 74.50 C ATOM 419 C GLY A 27 3.406 -23.345 -15.941 1.00 72.22 C ATOM 420 O GLY A 27 2.246 -23.171 -15.568 1.00 33.15 O ATOM 0 H GLY A 27 1.724 -24.688 -17.556 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.153 -25.027 -17.033 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.426 -23.484 -17.817 1.00 74.50 H new ATOM 424 N VAL A 28 4.460 -22.934 -15.244 1.00 0.31 N ATOM 425 CA VAL A 28 4.311 -22.235 -13.973 1.00 11.43 C ATOM 426 C VAL A 28 5.376 -21.158 -13.808 1.00 12.21 C ATOM 427 O VAL A 28 6.464 -21.255 -14.378 1.00 72.43 O ATOM 428 CB VAL A 28 4.393 -23.210 -12.784 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.659 -22.646 -11.577 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.833 -24.571 -13.170 1.00 65.50 C ATOM 0 H VAL A 28 5.427 -23.073 -15.538 1.00 0.31 H new ATOM 0 HA VAL A 28 3.326 -21.768 -13.983 1.00 11.43 H new ATOM 0 HB VAL A 28 5.441 -23.337 -12.514 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.728 -23.350 -10.747 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.111 -21.697 -11.287 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.611 -22.486 -11.830 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.899 -25.247 -12.317 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.790 -24.464 -13.468 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.408 -24.979 -14.001 1.00 65.50 H new ATOM 440 N PHE A 29 5.058 -20.132 -13.026 1.00 21.24 N ATOM 441 CA PHE A 29 5.988 -19.035 -12.787 1.00 24.31 C ATOM 442 C PHE A 29 6.291 -18.894 -11.299 1.00 74.32 C ATOM 443 O PHE A 29 5.416 -19.091 -10.456 1.00 14.41 O ATOM 444 CB PHE A 29 5.415 -17.724 -13.330 1.00 62.43 C ATOM 445 CG PHE A 29 5.262 -17.710 -14.824 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.158 -17.117 -15.415 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.222 -18.291 -15.638 1.00 0.33 C ATOM 448 CE1 PHE A 29 4.014 -17.101 -16.789 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.083 -18.277 -17.012 1.00 64.12 C ATOM 450 CZ PHE A 29 4.977 -17.683 -17.589 1.00 52.54 C ATOM 0 H PHE A 29 4.163 -20.037 -12.547 1.00 21.24 H new ATOM 0 HA PHE A 29 6.918 -19.260 -13.309 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.443 -17.544 -12.872 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.065 -16.901 -13.032 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.401 -16.662 -14.794 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.087 -18.759 -15.193 1.00 0.33 H new ATOM 0 HE1 PHE A 29 3.149 -16.634 -17.237 1.00 43.11 H new ATOM 0 HE2 PHE A 29 6.839 -18.731 -17.636 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.866 -17.674 -18.663 1.00 52.54 H new ATOM 460 N GLN A 30 7.536 -18.551 -10.983 1.00 73.10 N ATOM 461 CA GLN A 30 7.955 -18.385 -9.597 1.00 2.03 C ATOM 462 C GLN A 30 8.509 -16.985 -9.360 1.00 32.14 C ATOM 463 O GLN A 30 9.690 -16.724 -9.599 1.00 10.04 O ATOM 464 CB GLN A 30 9.007 -19.433 -9.230 1.00 11.10 C ATOM 465 CG GLN A 30 9.303 -19.502 -7.741 1.00 21.52 C ATOM 466 CD GLN A 30 8.045 -19.544 -6.896 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.029 -20.109 -7.303 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.105 -18.943 -5.714 1.00 1.20 N ATOM 0 H GLN A 30 8.272 -18.383 -11.669 1.00 73.10 H new ATOM 0 HA GLN A 30 7.081 -18.522 -8.961 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.667 -20.411 -9.570 1.00 11.10 H new ATOM 0 HB3 GLN A 30 9.930 -19.212 -9.766 1.00 11.10 H new ATOM 0 HG2 GLN A 30 9.904 -20.388 -7.535 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.901 -18.637 -7.453 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.968 -18.487 -5.417 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.288 -18.937 -5.103 1.00 1.20 H new ATOM 477 N LEU A 31 7.652 -16.085 -8.890 1.00 65.02 N ATOM 478 CA LEU A 31 8.056 -14.709 -8.621 1.00 54.50 C ATOM 479 C LEU A 31 8.683 -14.587 -7.236 1.00 53.24 C ATOM 480 O LEU A 31 8.125 -15.061 -6.247 1.00 13.04 O ATOM 481 CB LEU A 31 6.854 -13.772 -8.734 1.00 52.25 C ATOM 482 CG LEU A 31 6.995 -12.413 -8.047 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.129 -11.615 -8.671 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.688 -11.637 -8.126 1.00 64.43 C ATOM 0 H LEU A 31 6.672 -16.284 -8.687 1.00 65.02 H new ATOM 0 HA LEU A 31 8.801 -14.423 -9.363 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.649 -13.603 -9.791 1.00 52.25 H new ATOM 0 HB3 LEU A 31 5.983 -14.279 -8.317 1.00 52.25 H new ATOM 0 HG LEU A 31 7.231 -12.581 -6.996 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.214 -10.651 -8.169 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.064 -12.165 -8.562 1.00 62.41 H new ATOM 0 HD13 LEU A 31 7.923 -11.456 -9.729 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.807 -10.673 -7.632 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.421 -11.479 -9.171 1.00 64.43 H new ATOM 0 HD23 LEU A 31 4.898 -12.203 -7.632 1.00 64.43 H new ATOM 496 N ASN A 32 9.845 -13.945 -7.172 1.00 55.44 N ATOM 497 CA ASN A 32 10.546 -13.759 -5.906 1.00 63.23 C ATOM 498 C ASN A 32 10.866 -12.285 -5.675 1.00 53.21 C ATOM 499 O ASN A 32 11.724 -11.713 -6.347 1.00 30.12 O ATOM 500 CB ASN A 32 11.837 -14.581 -5.888 1.00 15.22 C ATOM 501 CG ASN A 32 11.591 -16.048 -6.186 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.555 -16.879 -5.278 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.421 -16.373 -7.462 1.00 41.33 N ATOM 0 H ASN A 32 10.321 -13.545 -7.981 1.00 55.44 H new ATOM 0 HA ASN A 32 9.893 -14.102 -5.103 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.533 -14.175 -6.622 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.312 -14.486 -4.912 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.252 -17.345 -7.723 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.459 -15.651 -8.182 1.00 41.33 H new ATOM 510 N ILE A 33 10.172 -11.679 -4.718 1.00 31.21 N ATOM 511 CA ILE A 33 10.384 -10.272 -4.396 1.00 31.14 C ATOM 512 C ILE A 33 11.412 -10.113 -3.281 1.00 52.44 C ATOM 513 O ILE A 33 11.285 -10.712 -2.214 1.00 11.10 O ATOM 514 CB ILE A 33 9.071 -9.589 -3.970 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.022 -9.716 -5.077 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.320 -8.126 -3.634 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.177 -10.966 -4.968 1.00 72.22 C ATOM 0 H ILE A 33 9.459 -12.139 -4.152 1.00 31.21 H new ATOM 0 HA ILE A 33 10.756 -9.793 -5.301 1.00 31.14 H new ATOM 0 HB ILE A 33 8.692 -10.087 -3.078 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.370 -8.843 -5.050 1.00 12.13 H new ATOM 0 HG13 ILE A 33 8.524 -9.710 -6.045 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.383 -7.657 -3.335 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.037 -8.057 -2.816 1.00 60.34 H new ATOM 0 HG23 ILE A 33 9.718 -7.614 -4.510 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.456 -10.990 -5.785 1.00 72.22 H new ATOM 0 HD12 ILE A 33 7.819 -11.845 -5.025 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.647 -10.965 -4.016 1.00 72.22 H new ATOM 529 N LYS A 34 12.430 -9.298 -3.535 1.00 22.24 N ATOM 530 CA LYS A 34 13.480 -9.055 -2.553 1.00 23.21 C ATOM 531 C LYS A 34 12.977 -8.155 -1.430 1.00 44.34 C ATOM 532 O LYS A 34 12.115 -7.300 -1.643 1.00 15.11 O ATOM 533 CB LYS A 34 14.698 -8.418 -3.226 1.00 53.34 C ATOM 534 CG LYS A 34 16.000 -8.660 -2.481 1.00 41.43 C ATOM 535 CD LYS A 34 17.028 -7.584 -2.791 1.00 33.21 C ATOM 536 CE LYS A 34 17.554 -7.709 -4.213 1.00 40.23 C ATOM 537 NZ LYS A 34 18.720 -8.632 -4.293 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.550 -8.794 -4.414 1.00 22.24 H new ATOM 0 HA LYS A 34 13.770 -10.014 -2.123 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.790 -8.811 -4.239 1.00 53.34 H new ATOM 0 HB3 LYS A 34 14.534 -7.344 -3.314 1.00 53.34 H new ATOM 0 HG2 LYS A 34 15.808 -8.683 -1.408 1.00 41.43 H new ATOM 0 HG3 LYS A 34 16.400 -9.636 -2.754 1.00 41.43 H new ATOM 0 HD2 LYS A 34 16.579 -6.600 -2.653 1.00 33.21 H new ATOM 0 HD3 LYS A 34 17.857 -7.658 -2.087 1.00 33.21 H new ATOM 0 HE2 LYS A 34 16.758 -8.071 -4.864 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.844 -6.725 -4.581 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 19.049 -8.691 -5.278 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 19.489 -8.273 -3.691 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 18.437 -9.578 -3.966 1.00 30.42 H new ATOM 551 N THR A 35 13.519 -8.350 -0.232 1.00 41.14 N ATOM 552 CA THR A 35 13.125 -7.555 0.924 1.00 62.04 C ATOM 553 C THR A 35 14.319 -7.273 1.829 1.00 21.21 C ATOM 554 O THR A 35 15.404 -7.817 1.630 1.00 42.41 O ATOM 555 CB THR A 35 12.029 -8.261 1.744 1.00 73.14 C ATOM 556 OG1 THR A 35 12.623 -9.182 2.665 1.00 74.33 O ATOM 557 CG2 THR A 35 11.063 -9.000 0.831 1.00 21.11 C ATOM 0 H THR A 35 14.233 -9.052 -0.037 1.00 41.14 H new ATOM 0 HA THR A 35 12.732 -6.613 0.541 1.00 62.04 H new ATOM 0 HB THR A 35 11.474 -7.503 2.297 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.920 -9.626 3.183 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.298 -9.491 1.432 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.591 -8.291 0.151 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.607 -9.748 0.255 1.00 21.11 H new ATOM 565 N ALA A 36 14.110 -6.419 2.826 1.00 32.44 N ATOM 566 CA ALA A 36 15.169 -6.067 3.764 1.00 70.24 C ATOM 567 C ALA A 36 15.373 -7.167 4.801 1.00 54.21 C ATOM 568 O ALA A 36 16.369 -7.175 5.524 1.00 10.51 O ATOM 569 CB ALA A 36 14.850 -4.746 4.450 1.00 11.33 C ATOM 0 H ALA A 36 13.218 -5.959 3.005 1.00 32.44 H new ATOM 0 HA ALA A 36 16.096 -5.957 3.201 1.00 70.24 H new ATOM 0 HB1 ALA A 36 15.649 -4.496 5.148 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.762 -3.959 3.701 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.909 -4.836 4.993 1.00 11.33 H new ATOM 575 N SER A 37 14.423 -8.094 4.867 1.00 12.43 N ATOM 576 CA SER A 37 14.497 -9.198 5.818 1.00 24.12 C ATOM 577 C SER A 37 14.617 -10.534 5.092 1.00 71.45 C ATOM 578 O SER A 37 14.584 -11.595 5.713 1.00 35.33 O ATOM 579 CB SER A 37 13.261 -9.203 6.720 1.00 74.34 C ATOM 580 OG SER A 37 13.581 -8.757 8.026 1.00 31.32 O ATOM 0 H SER A 37 13.593 -8.103 4.274 1.00 12.43 H new ATOM 0 HA SER A 37 15.387 -9.058 6.432 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.492 -8.561 6.291 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.846 -10.210 6.768 1.00 74.34 H new ATOM 0 HG SER A 37 12.774 -8.768 8.582 1.00 31.32 H new ATOM 586 N GLY A 38 14.756 -10.472 3.771 1.00 20.32 N ATOM 587 CA GLY A 38 14.879 -11.683 2.981 1.00 11.02 C ATOM 588 C GLY A 38 14.219 -11.559 1.622 1.00 44.13 C ATOM 589 O GLY A 38 14.400 -10.561 0.925 1.00 2.10 O ATOM 0 H GLY A 38 14.786 -9.605 3.234 1.00 20.32 H new ATOM 0 HA2 GLY A 38 15.934 -11.921 2.848 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.431 -12.515 3.525 1.00 11.02 H new ATOM 593 N VAL A 39 13.452 -12.576 1.243 1.00 25.01 N ATOM 594 CA VAL A 39 12.762 -12.577 -0.042 1.00 53.13 C ATOM 595 C VAL A 39 11.409 -13.271 0.062 1.00 4.40 C ATOM 596 O VAL A 39 11.278 -14.301 0.719 1.00 12.03 O ATOM 597 CB VAL A 39 13.602 -13.272 -1.129 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.568 -14.783 -0.946 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.108 -12.884 -2.514 1.00 44.20 C ATOM 0 H VAL A 39 13.293 -13.410 1.808 1.00 25.01 H new ATOM 0 HA VAL A 39 12.611 -11.534 -0.322 1.00 53.13 H new ATOM 0 HB VAL A 39 14.636 -12.941 -1.031 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.167 -15.257 -1.723 1.00 45.01 H new ATOM 0 HG12 VAL A 39 13.974 -15.040 0.032 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.539 -15.135 -1.016 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.713 -13.385 -3.270 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.066 -13.184 -2.626 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.190 -11.804 -2.640 1.00 44.20 H new ATOM 609 N GLU A 40 10.405 -12.697 -0.594 1.00 32.42 N ATOM 610 CA GLU A 40 9.060 -13.261 -0.576 1.00 60.10 C ATOM 611 C GLU A 40 8.816 -14.127 -1.808 1.00 42.53 C ATOM 612 O GLU A 40 8.876 -13.645 -2.939 1.00 20.13 O ATOM 613 CB GLU A 40 8.016 -12.144 -0.510 1.00 24.13 C ATOM 614 CG GLU A 40 8.357 -11.050 0.487 1.00 11.04 C ATOM 615 CD GLU A 40 8.960 -11.594 1.768 1.00 24.31 C ATOM 616 OE1 GLU A 40 8.191 -12.066 2.631 1.00 60.43 O ATOM 617 OE2 GLU A 40 10.200 -11.549 1.907 1.00 55.13 O1- ATOM 0 H GLU A 40 10.497 -11.843 -1.144 1.00 32.42 H new ATOM 0 HA GLU A 40 8.969 -13.888 0.311 1.00 60.10 H new ATOM 0 HB2 GLU A 40 7.908 -11.701 -1.500 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.050 -12.576 -0.247 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.057 -10.351 0.029 1.00 11.04 H new ATOM 0 HG3 GLU A 40 7.455 -10.487 0.725 1.00 11.04 H new ATOM 624 N GLN A 41 8.544 -15.408 -1.579 1.00 42.11 N ATOM 625 CA GLN A 41 8.293 -16.342 -2.670 1.00 75.52 C ATOM 626 C GLN A 41 6.823 -16.326 -3.075 1.00 53.35 C ATOM 627 O GLN A 41 5.945 -16.084 -2.246 1.00 61.42 O ATOM 628 CB GLN A 41 8.707 -17.757 -2.263 1.00 53.24 C ATOM 629 CG GLN A 41 10.060 -17.822 -1.575 1.00 24.20 C ATOM 630 CD GLN A 41 11.006 -18.804 -2.238 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.853 -20.019 -2.102 1.00 52.30 O ATOM 632 NE2 GLN A 41 11.991 -18.283 -2.961 1.00 4.21 N ATOM 0 H GLN A 41 8.492 -15.822 -0.648 1.00 42.11 H new ATOM 0 HA GLN A 41 8.889 -16.028 -3.527 1.00 75.52 H new ATOM 0 HB2 GLN A 41 7.950 -18.170 -1.597 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.730 -18.389 -3.151 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.512 -16.830 -1.577 1.00 24.20 H new ATOM 0 HG3 GLN A 41 9.920 -18.106 -0.532 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.080 -17.271 -3.047 1.00 4.21 H new ATOM 0 HE22 GLN A 41 12.658 -18.895 -3.430 1.00 4.21 H new ATOM 641 N TRP A 42 6.562 -16.581 -4.351 1.00 43.02 N ATOM 642 CA TRP A 42 5.197 -16.596 -4.864 1.00 5.44 C ATOM 643 C TRP A 42 5.076 -17.529 -6.063 1.00 60.44 C ATOM 644 O TRP A 42 6.000 -17.642 -6.869 1.00 11.52 O ATOM 645 CB TRP A 42 4.764 -15.182 -5.257 1.00 34.30 C ATOM 646 CG TRP A 42 4.734 -14.228 -4.101 1.00 73.05 C ATOM 647 CD1 TRP A 42 5.759 -13.438 -3.664 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.625 -13.964 -3.236 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.353 -12.700 -2.578 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.048 -13.004 -2.297 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.314 -14.444 -3.165 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.207 -12.517 -1.299 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.481 -13.961 -2.174 1.00 35.41 C ATOM 654 CH2 TRP A 42 1.929 -13.005 -1.253 1.00 22.13 C ATOM 0 H TRP A 42 7.277 -16.780 -5.050 1.00 43.02 H new ATOM 0 HA TRP A 42 4.542 -16.964 -4.074 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.445 -14.799 -6.017 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.773 -15.225 -5.709 1.00 34.30 H new ATOM 0 HD1 TRP A 42 6.743 -13.399 -4.107 1.00 55.51 H new ATOM 0 HE1 TRP A 42 5.930 -12.034 -2.065 1.00 41.21 H new ATOM 0 HE3 TRP A 42 1.959 -15.179 -3.872 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.551 -11.781 -0.587 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.467 -14.327 -2.108 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.252 -12.646 -0.492 1.00 22.13 H new ATOM 665 N ILE A 43 3.932 -18.196 -6.176 1.00 22.22 N ATOM 666 CA ILE A 43 3.691 -19.118 -7.278 1.00 14.53 C ATOM 667 C ILE A 43 2.564 -18.619 -8.176 1.00 73.12 C ATOM 668 O ILE A 43 1.450 -18.377 -7.714 1.00 34.33 O ATOM 669 CB ILE A 43 3.340 -20.527 -6.766 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.439 -21.046 -5.837 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.135 -21.480 -7.935 1.00 31.11 C ATOM 672 CD1 ILE A 43 3.975 -21.262 -4.414 1.00 2.14 C ATOM 0 H ILE A 43 3.158 -18.115 -5.517 1.00 22.22 H new ATOM 0 HA ILE A 43 4.615 -19.170 -7.854 1.00 14.53 H new ATOM 0 HB ILE A 43 2.410 -20.469 -6.201 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.823 -21.986 -6.232 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.268 -20.338 -5.837 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.888 -22.472 -7.557 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.320 -21.117 -8.562 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.050 -21.534 -8.525 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.806 -21.630 -3.812 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.618 -20.319 -4.001 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.166 -21.993 -4.402 1.00 2.14 H new ATOM 684 N VAL A 44 2.861 -18.471 -9.463 1.00 32.54 N ATOM 685 CA VAL A 44 1.873 -18.005 -10.428 1.00 1.41 C ATOM 686 C VAL A 44 1.787 -18.945 -11.625 1.00 62.00 C ATOM 687 O VAL A 44 2.645 -18.923 -12.507 1.00 64.24 O ATOM 688 CB VAL A 44 2.201 -16.585 -10.926 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.412 -15.547 -10.141 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.695 -16.318 -10.826 1.00 14.24 C ATOM 0 H VAL A 44 3.779 -18.667 -9.862 1.00 32.54 H new ATOM 0 HA VAL A 44 0.912 -17.988 -9.914 1.00 1.41 H new ATOM 0 HB VAL A 44 1.910 -16.510 -11.974 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.657 -14.550 -10.507 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.345 -15.728 -10.269 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.668 -15.618 -9.084 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.909 -15.310 -11.182 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.013 -16.411 -9.787 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.236 -17.041 -11.437 1.00 14.24 H new ATOM 700 N ASP A 45 0.745 -19.768 -11.650 1.00 45.32 N ATOM 701 CA ASP A 45 0.545 -20.715 -12.740 1.00 21.31 C ATOM 702 C ASP A 45 -0.162 -20.049 -13.916 1.00 43.53 C ATOM 703 O ASP A 45 -1.016 -19.181 -13.730 1.00 12.42 O ATOM 704 CB ASP A 45 -0.266 -21.919 -12.257 1.00 64.12 C ATOM 705 CG ASP A 45 -0.786 -22.765 -13.401 1.00 63.33 C ATOM 706 OD1 ASP A 45 0.006 -23.076 -14.317 1.00 21.05 O ATOM 707 OD2 ASP A 45 -1.984 -23.117 -13.384 1.00 51.12 O1- ATOM 0 H ASP A 45 0.026 -19.798 -10.928 1.00 45.32 H new ATOM 0 HA ASP A 45 1.524 -21.057 -13.074 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.356 -22.535 -11.607 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -1.106 -21.570 -11.657 1.00 64.12 H new ATOM 712 N LEU A 46 0.200 -20.459 -15.127 1.00 52.01 N ATOM 713 CA LEU A 46 -0.400 -19.902 -16.334 1.00 33.22 C ATOM 714 C LEU A 46 -1.440 -20.854 -16.916 1.00 13.22 C ATOM 715 O LEU A 46 -2.205 -20.485 -17.807 1.00 72.41 O ATOM 716 CB LEU A 46 0.682 -19.612 -17.376 1.00 61.21 C ATOM 717 CG LEU A 46 1.767 -20.677 -17.532 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.266 -20.726 -18.968 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.920 -20.408 -16.575 1.00 32.43 C ATOM 0 H LEU A 46 0.906 -21.175 -15.299 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.898 -18.970 -16.066 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.198 -19.471 -18.343 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.162 -18.668 -17.119 1.00 61.21 H new ATOM 0 HG LEU A 46 1.334 -21.647 -17.286 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.038 -21.490 -19.059 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.437 -20.967 -19.633 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.681 -19.756 -19.242 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.683 -21.176 -16.700 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.351 -19.430 -16.790 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.553 -20.425 -15.549 1.00 32.43 H new ATOM 731 N LYS A 47 -1.463 -22.080 -16.405 1.00 32.14 N ATOM 732 CA LYS A 47 -2.411 -23.086 -16.870 1.00 73.41 C ATOM 733 C LYS A 47 -3.826 -22.754 -16.407 1.00 25.15 C ATOM 734 O LYS A 47 -4.768 -22.773 -17.199 1.00 30.54 O ATOM 735 CB LYS A 47 -2.008 -24.471 -16.361 1.00 12.14 C ATOM 736 CG LYS A 47 -0.686 -24.964 -16.924 1.00 71.22 C ATOM 737 CD LYS A 47 -0.324 -26.336 -16.377 1.00 44.04 C ATOM 738 CE LYS A 47 1.059 -26.337 -15.745 1.00 52.41 C ATOM 739 NZ LYS A 47 1.210 -27.428 -14.744 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.835 -22.401 -15.668 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.395 -23.088 -17.960 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -1.943 -24.445 -15.273 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.791 -25.185 -16.616 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.747 -25.009 -18.011 1.00 71.22 H new ATOM 0 HG3 LYS A 47 0.103 -24.253 -16.678 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.064 -26.640 -15.637 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -0.358 -27.070 -17.182 1.00 44.04 H new ATOM 0 HE2 LYS A 47 1.814 -26.451 -16.523 1.00 52.41 H new ATOM 0 HE3 LYS A 47 1.239 -25.375 -15.264 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 2.166 -27.395 -14.336 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 0.506 -27.305 -13.988 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.063 -28.347 -15.208 1.00 64.34 H new ATOM 753 N GLN A 48 -3.967 -22.451 -15.121 1.00 45.21 N ATOM 754 CA GLN A 48 -5.268 -22.114 -14.554 1.00 10.22 C ATOM 755 C GLN A 48 -5.332 -20.638 -14.177 1.00 4.23 C ATOM 756 O GLN A 48 -6.376 -20.139 -13.755 1.00 2.01 O ATOM 757 CB GLN A 48 -5.550 -22.980 -13.324 1.00 63.24 C ATOM 758 CG GLN A 48 -5.588 -24.469 -13.623 1.00 72.31 C ATOM 759 CD GLN A 48 -6.026 -25.294 -12.429 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.170 -25.745 -12.357 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.116 -25.496 -11.485 1.00 43.10 N ATOM 0 H GLN A 48 -3.197 -22.432 -14.452 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.028 -22.309 -15.310 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.784 -22.789 -12.572 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.504 -22.681 -12.891 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.269 -24.651 -14.455 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.599 -24.797 -13.943 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.180 -25.103 -11.586 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.352 -26.044 -10.658 1.00 43.10 H new ATOM 770 N LEU A 49 -4.210 -19.944 -14.331 1.00 40.44 N ATOM 771 CA LEU A 49 -4.139 -18.523 -14.008 1.00 12.54 C ATOM 772 C LEU A 49 -4.479 -18.281 -12.540 1.00 71.02 C ATOM 773 O LEU A 49 -5.453 -17.601 -12.221 1.00 2.15 O ATOM 774 CB LEU A 49 -5.092 -17.728 -14.900 1.00 75.10 C ATOM 775 CG LEU A 49 -4.545 -17.318 -16.268 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.315 -16.439 -16.110 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.220 -18.548 -17.104 1.00 22.10 C ATOM 0 H LEU A 49 -3.337 -20.342 -14.677 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.118 -18.186 -14.187 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -5.993 -18.321 -15.054 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.391 -16.826 -14.365 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.313 -16.743 -16.787 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -2.940 -16.157 -17.094 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.579 -15.541 -15.552 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.543 -16.988 -15.571 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -3.832 -18.237 -18.074 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -3.471 -19.150 -16.590 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.124 -19.139 -17.248 1.00 22.10 H new ATOM 789 N LYS A 50 -3.667 -18.843 -11.650 1.00 54.03 N ATOM 790 CA LYS A 50 -3.878 -18.687 -10.216 1.00 73.12 C ATOM 791 C LYS A 50 -2.649 -18.077 -9.548 1.00 13.13 C ATOM 792 O LYS A 50 -1.654 -17.780 -10.209 1.00 33.05 O ATOM 793 CB LYS A 50 -4.201 -20.039 -9.577 1.00 23.41 C ATOM 794 CG LYS A 50 -3.306 -21.169 -10.058 1.00 12.24 C ATOM 795 CD LYS A 50 -3.783 -22.515 -9.542 1.00 71.24 C ATOM 796 CE LYS A 50 -3.066 -22.907 -8.259 1.00 14.43 C ATOM 797 NZ LYS A 50 -3.630 -24.151 -7.667 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.857 -19.411 -11.897 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.722 -18.012 -10.070 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.110 -19.951 -8.494 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.239 -20.293 -9.790 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.288 -21.182 -11.148 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.284 -20.992 -9.724 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -4.857 -22.477 -9.362 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -3.614 -23.278 -10.302 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.005 -23.051 -8.465 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.143 -22.094 -7.537 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -3.115 -24.385 -6.794 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -4.636 -24.006 -7.447 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -3.534 -24.933 -8.346 1.00 41.23 H new ATOM 811 N VAL A 51 -2.725 -17.895 -8.234 1.00 11.01 N ATOM 812 CA VAL A 51 -1.618 -17.323 -7.477 1.00 51.13 C ATOM 813 C VAL A 51 -1.543 -17.923 -6.077 1.00 24.24 C ATOM 814 O VAL A 51 -2.566 -18.242 -5.471 1.00 11.33 O ATOM 815 CB VAL A 51 -1.747 -15.793 -7.361 1.00 74.54 C ATOM 816 CG1 VAL A 51 -0.612 -15.223 -6.526 1.00 60.22 C ATOM 817 CG2 VAL A 51 -1.775 -15.156 -8.743 1.00 51.31 C ATOM 0 H VAL A 51 -3.541 -18.135 -7.672 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.705 -17.562 -8.022 1.00 51.13 H new ATOM 0 HB VAL A 51 -2.686 -15.562 -6.859 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -0.720 -14.141 -6.455 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -0.642 -15.657 -5.526 1.00 60.22 H new ATOM 0 HG13 VAL A 51 0.342 -15.462 -6.997 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -1.867 -14.074 -8.643 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.853 -15.395 -9.272 1.00 51.31 H new ATOM 0 HG23 VAL A 51 -2.626 -15.542 -9.304 1.00 51.31 H new ATOM 827 N ASP A 52 -0.324 -18.072 -5.568 1.00 34.02 N ATOM 828 CA ASP A 52 -0.114 -18.633 -4.238 1.00 10.05 C ATOM 829 C ASP A 52 1.200 -18.140 -3.643 1.00 41.12 C ATOM 830 O ASP A 52 2.025 -17.549 -4.339 1.00 32.23 O ATOM 831 CB ASP A 52 -0.121 -20.161 -4.297 1.00 62.44 C ATOM 832 CG ASP A 52 -1.297 -20.704 -5.086 1.00 53.22 C ATOM 833 OD1 ASP A 52 -1.097 -21.098 -6.255 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.416 -20.737 -4.533 1.00 41.01 O1- ATOM 0 H ASP A 52 0.533 -17.812 -6.056 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.930 -18.300 -3.597 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.808 -20.509 -4.749 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.151 -20.561 -3.283 1.00 62.44 H new ATOM 839 N GLN A 53 1.388 -18.387 -2.350 1.00 45.12 N ATOM 840 CA GLN A 53 2.602 -17.967 -1.661 1.00 63.05 C ATOM 841 C GLN A 53 3.613 -19.107 -1.595 1.00 31.52 C ATOM 842 O GLN A 53 3.260 -20.273 -1.767 1.00 43.42 O ATOM 843 CB GLN A 53 2.270 -17.481 -0.249 1.00 21.35 C ATOM 844 CG GLN A 53 2.435 -18.551 0.817 1.00 51.34 C ATOM 845 CD GLN A 53 3.851 -18.628 1.354 1.00 13.11 C ATOM 846 OE1 GLN A 53 4.453 -19.702 1.398 1.00 31.44 O ATOM 847 NE2 GLN A 53 4.391 -17.487 1.764 1.00 1.42 N ATOM 0 H GLN A 53 0.715 -18.876 -1.759 1.00 45.12 H new ATOM 0 HA GLN A 53 3.044 -17.146 -2.225 1.00 63.05 H new ATOM 0 HB2 GLN A 53 2.912 -16.635 -0.005 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.243 -17.117 -0.231 1.00 21.35 H new ATOM 0 HG2 GLN A 53 1.749 -18.347 1.640 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.155 -19.519 0.401 1.00 51.34 H new ATOM 0 HE21 GLN A 53 3.855 -16.621 1.709 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.342 -17.477 2.134 1.00 1.42 H new ATOM 856 N GLY A 54 4.873 -18.762 -1.344 1.00 60.23 N ATOM 857 CA GLY A 54 5.915 -19.767 -1.260 1.00 32.11 C ATOM 858 C GLY A 54 6.475 -20.137 -2.619 1.00 61.12 C ATOM 859 O GLY A 54 6.446 -19.333 -3.550 1.00 34.53 O ATOM 0 H GLY A 54 5.190 -17.804 -1.197 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.721 -19.398 -0.627 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.516 -20.660 -0.780 1.00 32.11 H new ATOM 863 N VAL A 55 6.987 -21.359 -2.734 1.00 63.32 N ATOM 864 CA VAL A 55 7.557 -21.834 -3.990 1.00 0.23 C ATOM 865 C VAL A 55 6.864 -23.107 -4.461 1.00 31.05 C ATOM 866 O VAL A 55 6.420 -23.921 -3.651 1.00 13.53 O ATOM 867 CB VAL A 55 9.067 -22.105 -3.853 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.327 -23.156 -2.784 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.653 -22.536 -5.189 1.00 61.54 C ATOM 0 H VAL A 55 7.019 -22.038 -1.973 1.00 63.32 H new ATOM 0 HA VAL A 55 7.402 -21.046 -4.727 1.00 0.23 H new ATOM 0 HB VAL A 55 9.558 -21.181 -3.547 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.399 -23.334 -2.702 1.00 35.12 H new ATOM 0 HG12 VAL A 55 8.943 -22.804 -1.827 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.825 -24.084 -3.057 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.721 -22.723 -5.075 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.159 -23.447 -5.526 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.500 -21.747 -5.925 1.00 61.54 H new ATOM 879 N PHE A 56 6.773 -23.272 -5.776 1.00 21.01 N ATOM 880 CA PHE A 56 6.133 -24.446 -6.357 1.00 21.13 C ATOM 881 C PHE A 56 7.074 -25.646 -6.334 1.00 72.32 C ATOM 882 O PHE A 56 8.286 -25.496 -6.179 1.00 54.15 O ATOM 883 CB PHE A 56 5.693 -24.156 -7.793 1.00 15.22 C ATOM 884 CG PHE A 56 4.785 -25.207 -8.366 1.00 13.30 C ATOM 885 CD1 PHE A 56 5.085 -25.816 -9.574 1.00 53.50 C ATOM 886 CD2 PHE A 56 3.632 -25.585 -7.697 1.00 11.02 C ATOM 887 CE1 PHE A 56 4.252 -26.783 -10.104 1.00 22.55 C ATOM 888 CE2 PHE A 56 2.797 -26.552 -8.222 1.00 40.34 C ATOM 889 CZ PHE A 56 3.105 -27.152 -9.427 1.00 32.22 C ATOM 0 H PHE A 56 7.135 -22.607 -6.460 1.00 21.01 H new ATOM 0 HA PHE A 56 5.255 -24.684 -5.757 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.184 -23.193 -7.821 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.577 -24.067 -8.424 1.00 15.22 H new ATOM 0 HD1 PHE A 56 5.980 -25.532 -10.107 1.00 53.50 H new ATOM 0 HD2 PHE A 56 3.384 -25.119 -6.755 1.00 11.02 H new ATOM 0 HE1 PHE A 56 4.497 -27.250 -11.046 1.00 22.55 H new ATOM 0 HE2 PHE A 56 1.902 -26.839 -7.690 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.452 -27.907 -9.839 1.00 32.22 H new ATOM 899 N ALA A 57 6.508 -26.839 -6.488 1.00 32.10 N ATOM 900 CA ALA A 57 7.296 -28.065 -6.488 1.00 4.40 C ATOM 901 C ALA A 57 8.422 -27.995 -7.514 1.00 45.14 C ATOM 902 O ALA A 57 9.507 -28.534 -7.296 1.00 5.11 O ATOM 903 CB ALA A 57 6.403 -29.267 -6.761 1.00 15.14 C ATOM 0 H ALA A 57 5.506 -26.982 -6.614 1.00 32.10 H new ATOM 0 HA ALA A 57 7.746 -28.178 -5.502 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.005 -30.176 -6.758 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.639 -29.336 -5.987 1.00 15.14 H new ATOM 0 HB3 ALA A 57 5.925 -29.152 -7.734 1.00 15.14 H new ATOM 909 N SER A 58 8.155 -27.329 -8.633 1.00 54.32 N ATOM 910 CA SER A 58 9.145 -27.193 -9.696 1.00 12.25 C ATOM 911 C SER A 58 8.599 -26.346 -10.841 1.00 23.03 C ATOM 912 O SER A 58 8.090 -26.858 -11.838 1.00 74.33 O ATOM 913 CB SER A 58 9.558 -28.571 -10.216 1.00 24.15 C ATOM 914 OG SER A 58 10.752 -29.014 -9.597 1.00 63.33 O ATOM 0 H SER A 58 7.262 -26.875 -8.827 1.00 54.32 H new ATOM 0 HA SER A 58 10.020 -26.692 -9.283 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.759 -29.288 -10.027 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.699 -28.528 -11.296 1.00 24.15 H new ATOM 0 HG SER A 58 10.652 -28.969 -8.623 1.00 63.33 H new ATOM 920 N PRO A 59 8.706 -25.017 -10.696 1.00 64.12 N ATOM 921 CA PRO A 59 8.230 -24.069 -11.708 1.00 73.32 C ATOM 922 C PRO A 59 9.079 -24.098 -12.975 1.00 23.22 C ATOM 923 O PRO A 59 10.301 -24.239 -12.912 1.00 4.44 O ATOM 924 CB PRO A 59 8.357 -22.712 -11.011 1.00 61.42 C ATOM 925 CG PRO A 59 9.424 -22.909 -9.990 1.00 4.13 C ATOM 926 CD PRO A 59 9.303 -24.337 -9.534 1.00 10.03 C ATOM 0 HA PRO A 59 7.218 -24.301 -12.039 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.626 -21.927 -11.718 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.416 -22.415 -10.548 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.410 -22.717 -10.414 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.297 -22.221 -9.155 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.274 -24.760 -9.276 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.672 -24.424 -8.649 1.00 10.03 H new ATOM 934 N ASP A 60 8.425 -23.964 -14.123 1.00 20.31 N ATOM 935 CA ASP A 60 9.119 -23.973 -15.405 1.00 71.05 C ATOM 936 C ASP A 60 10.035 -22.760 -15.536 1.00 72.31 C ATOM 937 O ASP A 60 10.950 -22.745 -16.359 1.00 5.43 O ATOM 938 CB ASP A 60 8.112 -23.994 -16.555 1.00 60.31 C ATOM 939 CG ASP A 60 8.525 -24.935 -17.670 1.00 74.41 C ATOM 940 OD1 ASP A 60 8.751 -26.130 -17.385 1.00 62.40 O ATOM 941 OD2 ASP A 60 8.623 -24.476 -18.828 1.00 72.43 O1- ATOM 0 H ASP A 60 7.414 -23.848 -14.192 1.00 20.31 H new ATOM 0 HA ASP A 60 9.730 -24.874 -15.452 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.136 -24.294 -16.174 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.002 -22.986 -16.956 1.00 60.31 H new ATOM 946 N VAL A 61 9.780 -21.743 -14.719 1.00 23.13 N ATOM 947 CA VAL A 61 10.582 -20.524 -14.744 1.00 4.42 C ATOM 948 C VAL A 61 10.679 -19.902 -13.355 1.00 2.01 C ATOM 949 O VAL A 61 9.774 -20.048 -12.532 1.00 3.25 O ATOM 950 CB VAL A 61 9.994 -19.486 -15.719 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.824 -18.212 -15.706 1.00 0.55 C ATOM 952 CG2 VAL A 61 9.910 -20.064 -17.123 1.00 33.43 C ATOM 0 H VAL A 61 9.026 -21.738 -14.032 1.00 23.13 H new ATOM 0 HA VAL A 61 11.579 -20.807 -15.083 1.00 4.42 H new ATOM 0 HB VAL A 61 8.984 -19.236 -15.393 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.394 -17.490 -16.401 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.828 -17.790 -14.701 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.846 -18.441 -16.007 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.493 -19.318 -17.799 1.00 33.43 H new ATOM 0 HG22 VAL A 61 10.908 -20.343 -17.462 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.269 -20.946 -17.116 1.00 33.43 H new ATOM 962 N THR A 62 11.783 -19.208 -13.099 1.00 50.24 N ATOM 963 CA THR A 62 12.000 -18.564 -11.810 1.00 14.23 C ATOM 964 C THR A 62 12.351 -17.091 -11.983 1.00 31.34 C ATOM 965 O THR A 62 13.468 -16.751 -12.375 1.00 52.43 O ATOM 966 CB THR A 62 13.124 -19.259 -11.017 1.00 64.24 C ATOM 967 OG1 THR A 62 13.616 -20.386 -11.750 1.00 4.13 O ATOM 968 CG2 THR A 62 12.622 -19.714 -9.654 1.00 53.40 C ATOM 0 H THR A 62 12.542 -19.077 -13.768 1.00 50.24 H new ATOM 0 HA THR A 62 11.067 -18.649 -11.253 1.00 14.23 H new ATOM 0 HB THR A 62 13.932 -18.542 -10.869 1.00 64.24 H new ATOM 0 HG1 THR A 62 13.895 -20.098 -12.644 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.432 -20.202 -9.112 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.275 -18.850 -9.087 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.799 -20.416 -9.785 1.00 53.40 H new ATOM 976 N VAL A 63 11.392 -16.220 -11.689 1.00 71.42 N ATOM 977 CA VAL A 63 11.601 -14.782 -11.810 1.00 52.44 C ATOM 978 C VAL A 63 12.205 -14.205 -10.535 1.00 12.25 C ATOM 979 O VAL A 63 11.734 -14.480 -9.431 1.00 15.12 O ATOM 980 CB VAL A 63 10.283 -14.048 -12.119 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.542 -12.572 -12.379 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.580 -14.691 -13.304 1.00 54.53 C ATOM 0 H VAL A 63 10.462 -16.485 -11.365 1.00 71.42 H new ATOM 0 HA VAL A 63 12.295 -14.631 -12.637 1.00 52.44 H new ATOM 0 HB VAL A 63 9.630 -14.130 -11.250 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.599 -12.070 -12.596 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.999 -12.122 -11.498 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.214 -12.465 -13.231 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.651 -14.159 -13.508 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.226 -14.642 -14.181 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.359 -15.733 -13.074 1.00 54.53 H new ATOM 992 N THR A 64 13.254 -13.402 -10.694 1.00 21.22 N ATOM 993 CA THR A 64 13.923 -12.786 -9.556 1.00 44.01 C ATOM 994 C THR A 64 13.903 -11.266 -9.663 1.00 25.10 C ATOM 995 O THR A 64 14.590 -10.683 -10.502 1.00 72.04 O ATOM 996 CB THR A 64 15.384 -13.261 -9.439 1.00 34.33 C ATOM 997 OG1 THR A 64 15.680 -14.197 -10.482 1.00 1.35 O ATOM 998 CG2 THR A 64 15.636 -13.908 -8.085 1.00 73.53 C ATOM 0 H THR A 64 13.657 -13.164 -11.600 1.00 21.22 H new ATOM 0 HA THR A 64 13.376 -13.092 -8.664 1.00 44.01 H new ATOM 0 HB THR A 64 16.034 -12.391 -9.536 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.467 -14.725 -10.234 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.674 -14.235 -8.026 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.438 -13.185 -7.294 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.977 -14.768 -7.964 1.00 73.53 H new ATOM 1006 N VAL A 65 13.110 -10.627 -8.807 1.00 24.10 N ATOM 1007 CA VAL A 65 13.002 -9.174 -8.804 1.00 44.40 C ATOM 1008 C VAL A 65 13.016 -8.624 -7.382 1.00 72.43 C ATOM 1009 O VAL A 65 12.587 -9.293 -6.443 1.00 51.43 O ATOM 1010 CB VAL A 65 11.716 -8.706 -9.511 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.489 -9.102 -8.705 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.751 -7.202 -9.738 1.00 61.51 C ATOM 0 H VAL A 65 12.533 -11.094 -8.107 1.00 24.10 H new ATOM 0 HA VAL A 65 13.867 -8.791 -9.346 1.00 44.40 H new ATOM 0 HB VAL A 65 11.657 -9.197 -10.482 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.590 -8.763 -9.220 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.459 -10.186 -8.598 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.537 -8.641 -7.718 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.835 -6.888 -10.238 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.834 -6.691 -8.779 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.609 -6.948 -10.360 1.00 61.51 H new ATOM 1022 N GLY A 66 13.513 -7.400 -7.231 1.00 71.14 N ATOM 1023 CA GLY A 66 13.573 -6.780 -5.921 1.00 41.23 C ATOM 1024 C GLY A 66 12.395 -5.865 -5.657 1.00 23.54 C ATOM 1025 O GLY A 66 11.674 -5.486 -6.581 1.00 73.14 O ATOM 0 H GLY A 66 13.875 -6.827 -7.993 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.604 -7.556 -5.156 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.498 -6.210 -5.835 1.00 41.23 H new ATOM 1029 N LEU A 67 12.195 -5.509 -4.392 1.00 13.24 N ATOM 1030 CA LEU A 67 11.093 -4.633 -4.009 1.00 45.22 C ATOM 1031 C LEU A 67 11.121 -3.338 -4.813 1.00 21.23 C ATOM 1032 O LEU A 67 10.190 -3.041 -5.560 1.00 45.23 O ATOM 1033 CB LEU A 67 11.163 -4.319 -2.514 1.00 52.23 C ATOM 1034 CG LEU A 67 9.825 -4.271 -1.775 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.231 -5.666 -1.652 1.00 15.22 C ATOM 1036 CD2 LEU A 67 9.996 -3.639 -0.401 1.00 21.12 C ATOM 0 H LEU A 67 12.781 -5.813 -3.615 1.00 13.24 H new ATOM 0 HA LEU A 67 10.158 -5.151 -4.223 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.793 -5.068 -2.035 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.660 -3.357 -2.388 1.00 52.23 H new ATOM 0 HG LEU A 67 9.136 -3.655 -2.353 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.279 -5.611 -1.123 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.070 -6.082 -2.647 1.00 15.22 H new ATOM 0 HD13 LEU A 67 9.917 -6.306 -1.098 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.034 -3.613 0.110 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.702 -4.227 0.185 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.375 -2.623 -0.512 1.00 21.12 H new ATOM 1048 N GLU A 68 12.198 -2.573 -4.657 1.00 23.10 N ATOM 1049 CA GLU A 68 12.347 -1.310 -5.371 1.00 24.34 C ATOM 1050 C GLU A 68 12.081 -1.494 -6.863 1.00 61.31 C ATOM 1051 O GLU A 68 11.553 -0.600 -7.525 1.00 21.23 O ATOM 1052 CB GLU A 68 13.751 -0.742 -5.158 1.00 2.03 C ATOM 1053 CG GLU A 68 14.118 -0.557 -3.696 1.00 62.33 C ATOM 1054 CD GLU A 68 14.942 0.692 -3.455 1.00 54.24 C ATOM 1055 OE1 GLU A 68 14.748 1.336 -2.401 1.00 72.13 O ATOM 1056 OE2 GLU A 68 15.780 1.027 -4.317 1.00 60.41 O1- ATOM 0 H GLU A 68 12.979 -2.806 -4.043 1.00 23.10 H new ATOM 0 HA GLU A 68 11.614 -0.608 -4.973 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.477 -1.407 -5.625 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.826 0.219 -5.667 1.00 2.03 H new ATOM 0 HG2 GLU A 68 13.207 -0.507 -3.100 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.676 -1.428 -3.352 1.00 62.33 H new ATOM 1063 N ASP A 69 12.451 -2.658 -7.385 1.00 20.45 N ATOM 1064 CA ASP A 69 12.253 -2.961 -8.797 1.00 42.22 C ATOM 1065 C ASP A 69 10.771 -3.145 -9.111 1.00 43.43 C ATOM 1066 O ASP A 69 10.269 -2.628 -10.108 1.00 14.14 O ATOM 1067 CB ASP A 69 13.029 -4.221 -9.185 1.00 71.20 C ATOM 1068 CG ASP A 69 14.518 -4.082 -8.937 1.00 61.35 C ATOM 1069 OD1 ASP A 69 15.245 -5.083 -9.112 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.957 -2.972 -8.569 1.00 23.21 O1- ATOM 0 H ASP A 69 12.890 -3.408 -6.851 1.00 20.45 H new ATOM 0 HA ASP A 69 12.628 -2.119 -9.379 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.647 -5.069 -8.617 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.858 -4.440 -10.239 1.00 71.20 H new ATOM 1075 N MET A 70 10.078 -3.886 -8.253 1.00 54.02 N ATOM 1076 CA MET A 70 8.653 -4.138 -8.439 1.00 40.11 C ATOM 1077 C MET A 70 7.843 -2.866 -8.217 1.00 33.44 C ATOM 1078 O MET A 70 7.031 -2.480 -9.060 1.00 2.01 O ATOM 1079 CB MET A 70 8.178 -5.233 -7.482 1.00 64.44 C ATOM 1080 CG MET A 70 8.276 -6.634 -8.063 1.00 53.12 C ATOM 1081 SD MET A 70 6.853 -7.660 -7.646 1.00 44.35 S ATOM 1082 CE MET A 70 6.636 -8.573 -9.171 1.00 74.02 C ATOM 0 H MET A 70 10.479 -4.322 -7.423 1.00 54.02 H new ATOM 0 HA MET A 70 8.499 -4.471 -9.465 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.769 -5.186 -6.567 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.143 -5.036 -7.203 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.366 -6.568 -9.147 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.184 -7.113 -7.696 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.729 -9.174 -9.109 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.553 -7.875 -10.004 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.494 -9.227 -9.329 1.00 74.02 H new ATOM 1092 N LEU A 71 8.067 -2.217 -7.080 1.00 4.41 N ATOM 1093 CA LEU A 71 7.357 -0.987 -6.748 1.00 52.32 C ATOM 1094 C LEU A 71 7.476 0.033 -7.876 1.00 50.24 C ATOM 1095 O LEU A 71 6.528 0.761 -8.171 1.00 51.41 O ATOM 1096 CB LEU A 71 7.904 -0.394 -5.448 1.00 73.33 C ATOM 1097 CG LEU A 71 7.958 -1.340 -4.248 1.00 72.22 C ATOM 1098 CD1 LEU A 71 9.000 -0.872 -3.246 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.589 -1.443 -3.589 1.00 30.51 C ATOM 0 H LEU A 71 8.735 -2.522 -6.372 1.00 4.41 H new ATOM 0 HA LEU A 71 6.303 -1.230 -6.614 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.911 -0.022 -5.637 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.292 0.467 -5.179 1.00 73.33 H new ATOM 0 HG LEU A 71 8.244 -2.330 -4.602 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.024 -1.558 -2.399 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.980 -0.850 -3.723 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.745 0.128 -2.896 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.645 -2.120 -2.737 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.274 -0.457 -3.248 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.866 -1.826 -4.309 1.00 30.51 H new ATOM 1111 N ALA A 72 8.646 0.078 -8.505 1.00 72.12 N ATOM 1112 CA ALA A 72 8.888 1.005 -9.603 1.00 10.33 C ATOM 1113 C ALA A 72 7.891 0.786 -10.735 1.00 3.31 C ATOM 1114 O ALA A 72 7.475 1.736 -11.401 1.00 20.22 O ATOM 1115 CB ALA A 72 10.313 0.855 -10.115 1.00 1.25 C ATOM 0 H ALA A 72 9.441 -0.517 -8.273 1.00 72.12 H new ATOM 0 HA ALA A 72 8.754 2.019 -9.227 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.480 1.553 -10.935 1.00 1.25 H new ATOM 0 HB2 ALA A 72 11.014 1.068 -9.308 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.467 -0.164 -10.469 1.00 1.25 H new ATOM 1121 N ILE A 73 7.511 -0.469 -10.949 1.00 10.35 N ATOM 1122 CA ILE A 73 6.563 -0.811 -12.002 1.00 70.44 C ATOM 1123 C ILE A 73 5.125 -0.656 -11.517 1.00 3.41 C ATOM 1124 O ILE A 73 4.354 0.128 -12.071 1.00 51.33 O ATOM 1125 CB ILE A 73 6.772 -2.253 -12.501 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.260 -2.530 -12.717 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.991 -2.487 -13.785 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.542 -3.894 -13.309 1.00 20.44 C ATOM 0 H ILE A 73 7.845 -1.266 -10.407 1.00 10.35 H new ATOM 0 HA ILE A 73 6.743 -0.121 -12.826 1.00 70.44 H new ATOM 0 HB ILE A 73 6.401 -2.942 -11.743 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.672 -1.765 -13.375 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.780 -2.443 -11.763 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.149 -3.510 -14.125 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.929 -2.326 -13.599 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.335 -1.793 -14.552 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.617 -4.021 -13.434 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.161 -4.666 -12.641 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.051 -3.978 -14.279 1.00 20.44 H new ATOM 1140 N SER A 74 4.772 -1.407 -10.479 1.00 34.22 N ATOM 1141 CA SER A 74 3.426 -1.354 -9.921 1.00 34.44 C ATOM 1142 C SER A 74 3.048 0.076 -9.546 1.00 12.00 C ATOM 1143 O SER A 74 1.871 0.430 -9.509 1.00 4.54 O ATOM 1144 CB SER A 74 3.326 -2.259 -8.691 1.00 32.15 C ATOM 1145 OG SER A 74 2.540 -1.655 -7.677 1.00 43.53 O ATOM 0 H SER A 74 5.399 -2.059 -10.008 1.00 34.22 H new ATOM 0 HA SER A 74 2.730 -1.707 -10.682 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.888 -3.216 -8.974 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.324 -2.467 -8.306 1.00 32.15 H new ATOM 0 HG SER A 74 1.768 -2.225 -7.478 1.00 43.53 H new ATOM 1151 N GLY A 75 4.059 0.895 -9.270 1.00 30.23 N ATOM 1152 CA GLY A 75 3.814 2.278 -8.901 1.00 71.54 C ATOM 1153 C GLY A 75 3.415 3.131 -10.088 1.00 52.41 C ATOM 1154 O GLY A 75 3.152 4.325 -9.944 1.00 72.55 O ATOM 0 H GLY A 75 5.043 0.626 -9.295 1.00 30.23 H new ATOM 0 HA2 GLY A 75 3.026 2.316 -8.149 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.712 2.694 -8.444 1.00 71.54 H new ATOM 1158 N LYS A 76 3.370 2.519 -11.267 1.00 72.22 N ATOM 1159 CA LYS A 76 3.001 3.231 -12.485 1.00 63.32 C ATOM 1160 C LYS A 76 4.048 4.280 -12.841 1.00 4.25 C ATOM 1161 O LYS A 76 3.820 5.136 -13.696 1.00 51.51 O ATOM 1162 CB LYS A 76 1.633 3.896 -12.317 1.00 43.21 C ATOM 1163 CG LYS A 76 0.684 3.118 -11.421 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.762 3.295 -11.854 1.00 41.34 C ATOM 1165 CE LYS A 76 -1.717 2.572 -10.916 1.00 40.22 C ATOM 1166 NZ LYS A 76 -2.490 3.524 -10.070 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.585 1.531 -11.405 1.00 72.22 H new ATOM 0 HA LYS A 76 2.948 2.506 -13.298 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.772 4.895 -11.904 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.175 4.018 -13.298 1.00 43.21 H new ATOM 0 HG2 LYS A 76 0.945 2.060 -11.445 1.00 10.13 H new ATOM 0 HG3 LYS A 76 0.800 3.452 -10.390 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -1.008 4.357 -11.878 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.889 2.915 -12.868 1.00 41.34 H new ATOM 0 HE2 LYS A 76 -2.407 1.962 -11.499 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -1.153 1.893 -10.276 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -3.129 2.993 -9.445 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -1.833 4.089 -9.494 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -3.048 4.156 -10.679 1.00 53.25 H new ATOM 1180 N THR A 77 5.199 4.209 -12.180 1.00 13.43 N ATOM 1181 CA THR A 77 6.282 5.153 -12.427 1.00 43.43 C ATOM 1182 C THR A 77 7.191 4.665 -13.549 1.00 63.21 C ATOM 1183 O THR A 77 7.662 5.455 -14.369 1.00 21.54 O ATOM 1184 CB THR A 77 7.128 5.383 -11.160 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.954 4.240 -10.909 1.00 24.34 O ATOM 1186 CG2 THR A 77 6.237 5.645 -9.955 1.00 61.23 C ATOM 0 H THR A 77 5.405 3.507 -11.469 1.00 13.43 H new ATOM 0 HA THR A 77 5.819 6.095 -12.721 1.00 43.43 H new ATOM 0 HB THR A 77 7.758 6.258 -11.324 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.408 3.427 -10.947 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.856 5.804 -9.072 1.00 61.23 H new ATOM 0 HG22 THR A 77 5.630 6.532 -10.137 1.00 61.23 H new ATOM 0 HG23 THR A 77 5.585 4.787 -9.791 1.00 61.23 H new ATOM 1194 N LEU A 78 7.436 3.360 -13.581 1.00 61.23 N ATOM 1195 CA LEU A 78 8.289 2.766 -14.604 1.00 64.41 C ATOM 1196 C LEU A 78 7.598 1.578 -15.267 1.00 4.21 C ATOM 1197 O LEU A 78 6.561 1.108 -14.799 1.00 64.35 O ATOM 1198 CB LEU A 78 9.619 2.322 -13.993 1.00 40.00 C ATOM 1199 CG LEU A 78 10.799 2.211 -14.959 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.943 3.106 -14.508 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.262 0.766 -15.073 1.00 52.03 C ATOM 0 H LEU A 78 7.056 2.693 -12.910 1.00 61.23 H new ATOM 0 HA LEU A 78 8.481 3.522 -15.365 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.886 3.025 -13.204 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.472 1.352 -13.518 1.00 40.00 H new ATOM 0 HG LEU A 78 10.471 2.544 -15.944 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.774 3.014 -15.207 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.605 4.142 -14.480 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.271 2.804 -13.513 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.102 0.707 -15.765 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.573 0.405 -14.093 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.443 0.150 -15.444 1.00 52.03 H new ATOM 1213 N THR A 79 8.183 1.094 -16.360 1.00 53.44 N ATOM 1214 CA THR A 79 7.625 -0.039 -17.086 1.00 2.24 C ATOM 1215 C THR A 79 8.573 -1.233 -17.054 1.00 31.21 C ATOM 1216 O THR A 79 9.781 -1.075 -16.876 1.00 53.42 O ATOM 1217 CB THR A 79 7.326 0.326 -18.553 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.536 0.704 -19.219 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.320 1.463 -18.633 1.00 71.32 C ATOM 0 H THR A 79 9.043 1.470 -16.760 1.00 53.44 H new ATOM 0 HA THR A 79 6.693 -0.305 -16.588 1.00 2.24 H new ATOM 0 HB THR A 79 6.900 -0.549 -19.043 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.339 0.933 -20.151 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.125 1.703 -19.678 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.391 1.161 -18.150 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.723 2.341 -18.128 1.00 71.32 H new ATOM 1227 N VAL A 80 8.017 -2.428 -17.229 1.00 5.33 N ATOM 1228 CA VAL A 80 8.814 -3.649 -17.222 1.00 10.20 C ATOM 1229 C VAL A 80 9.878 -3.617 -18.312 1.00 63.11 C ATOM 1230 O VAL A 80 11.012 -4.044 -18.100 1.00 72.02 O ATOM 1231 CB VAL A 80 7.931 -4.896 -17.417 1.00 1.42 C ATOM 1232 CG1 VAL A 80 8.783 -6.155 -17.438 1.00 32.31 C ATOM 1233 CG2 VAL A 80 6.873 -4.976 -16.328 1.00 54.23 C ATOM 0 H VAL A 80 7.019 -2.576 -17.377 1.00 5.33 H new ATOM 0 HA VAL A 80 9.299 -3.705 -16.247 1.00 10.20 H new ATOM 0 HB VAL A 80 7.423 -4.813 -18.378 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.142 -7.026 -17.577 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.498 -6.097 -18.258 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.320 -6.247 -16.494 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.259 -5.863 -16.482 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.358 -5.035 -15.353 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.243 -4.087 -16.367 1.00 54.23 H new ATOM 1243 N GLY A 81 9.505 -3.108 -19.482 1.00 1.42 N ATOM 1244 CA GLY A 81 10.439 -3.029 -20.589 1.00 4.53 C ATOM 1245 C GLY A 81 11.681 -2.230 -20.245 1.00 72.43 C ATOM 1246 O GLY A 81 12.793 -2.613 -20.607 1.00 54.32 O ATOM 0 H GLY A 81 8.572 -2.749 -19.683 1.00 1.42 H new ATOM 0 HA2 GLY A 81 10.730 -4.036 -20.887 1.00 4.53 H new ATOM 0 HA3 GLY A 81 9.944 -2.573 -21.446 1.00 4.53 H new ATOM 1250 N ASP A 82 11.491 -1.118 -19.544 1.00 14.13 N ATOM 1251 CA ASP A 82 12.605 -0.262 -19.151 1.00 21.43 C ATOM 1252 C ASP A 82 13.497 -0.966 -18.132 1.00 23.42 C ATOM 1253 O ASP A 82 14.720 -0.970 -18.261 1.00 72.21 O ATOM 1254 CB ASP A 82 12.085 1.053 -18.570 1.00 22.14 C ATOM 1255 CG ASP A 82 12.244 2.214 -19.533 1.00 13.02 C ATOM 1256 OD1 ASP A 82 11.521 2.244 -20.551 1.00 14.15 O ATOM 1257 OD2 ASP A 82 13.091 3.092 -19.268 1.00 41.32 O1- ATOM 0 H ASP A 82 10.576 -0.788 -19.236 1.00 14.13 H new ATOM 0 HA ASP A 82 13.198 -0.047 -20.040 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.032 0.941 -18.311 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.619 1.275 -17.646 1.00 22.14 H new ATOM 1262 N ALA A 83 12.874 -1.559 -17.118 1.00 45.42 N ATOM 1263 CA ALA A 83 13.611 -2.265 -16.078 1.00 21.54 C ATOM 1264 C ALA A 83 14.475 -3.372 -16.672 1.00 74.42 C ATOM 1265 O ALA A 83 15.639 -3.531 -16.301 1.00 71.11 O ATOM 1266 CB ALA A 83 12.649 -2.841 -15.048 1.00 12.34 C ATOM 0 H ALA A 83 11.861 -1.564 -16.995 1.00 45.42 H new ATOM 0 HA ALA A 83 14.270 -1.550 -15.586 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.213 -3.366 -14.277 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.077 -2.033 -14.592 1.00 12.34 H new ATOM 0 HB3 ALA A 83 11.967 -3.537 -15.536 1.00 12.34 H new ATOM 1272 N LEU A 84 13.899 -4.134 -17.595 1.00 41.30 N ATOM 1273 CA LEU A 84 14.618 -5.227 -18.241 1.00 72.41 C ATOM 1274 C LEU A 84 15.939 -4.739 -18.828 1.00 23.24 C ATOM 1275 O LEU A 84 16.996 -5.314 -18.569 1.00 61.34 O ATOM 1276 CB LEU A 84 13.757 -5.849 -19.343 1.00 54.12 C ATOM 1277 CG LEU A 84 13.578 -7.366 -19.277 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.889 -8.073 -19.587 1.00 35.23 C ATOM 1279 CD2 LEU A 84 13.055 -7.784 -17.911 1.00 24.15 C ATOM 0 H LEU A 84 12.937 -4.016 -17.913 1.00 41.30 H new ATOM 0 HA LEU A 84 14.834 -5.983 -17.486 1.00 72.41 H new ATOM 0 HB2 LEU A 84 12.771 -5.385 -19.312 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.198 -5.597 -20.307 1.00 54.12 H new ATOM 0 HG LEU A 84 12.845 -7.658 -20.029 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.742 -9.152 -19.535 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.222 -7.800 -20.588 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.644 -7.775 -18.860 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.934 -8.867 -17.883 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.763 -7.478 -17.141 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.092 -7.307 -17.728 1.00 24.15 H new ATOM 1291 N LYS A 85 15.872 -3.672 -19.616 1.00 13.23 N ATOM 1292 CA LYS A 85 17.062 -3.103 -20.238 1.00 53.44 C ATOM 1293 C LYS A 85 18.139 -2.824 -19.194 1.00 73.11 C ATOM 1294 O LYS A 85 19.332 -2.857 -19.497 1.00 1.12 O ATOM 1295 CB LYS A 85 16.708 -1.813 -20.979 1.00 25.42 C ATOM 1296 CG LYS A 85 17.230 -1.767 -22.404 1.00 52.24 C ATOM 1297 CD LYS A 85 16.567 -2.821 -23.276 1.00 12.13 C ATOM 1298 CE LYS A 85 15.627 -2.192 -24.293 1.00 30.01 C ATOM 1299 NZ LYS A 85 16.328 -1.858 -25.563 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.005 -3.183 -19.840 1.00 13.23 H new ATOM 0 HA LYS A 85 17.452 -3.829 -20.952 1.00 53.44 H new ATOM 0 HB2 LYS A 85 15.624 -1.699 -20.994 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.110 -0.964 -20.426 1.00 25.42 H new ATOM 0 HG2 LYS A 85 17.050 -0.778 -22.826 1.00 52.24 H new ATOM 0 HG3 LYS A 85 18.309 -1.921 -22.402 1.00 52.24 H new ATOM 0 HD2 LYS A 85 17.332 -3.399 -23.795 1.00 12.13 H new ATOM 0 HD3 LYS A 85 16.012 -3.518 -22.648 1.00 12.13 H new ATOM 0 HE2 LYS A 85 14.806 -2.878 -24.501 1.00 30.01 H new ATOM 0 HE3 LYS A 85 15.188 -1.288 -23.871 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 15.654 -1.432 -26.230 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 17.096 -1.184 -25.369 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 16.725 -2.725 -25.979 1.00 0.02 H new ATOM 1313 N GLN A 86 17.711 -2.551 -17.967 1.00 11.43 N ATOM 1314 CA GLN A 86 18.640 -2.266 -16.879 1.00 53.23 C ATOM 1315 C GLN A 86 19.078 -3.552 -16.187 1.00 21.22 C ATOM 1316 O GLN A 86 20.173 -3.629 -15.633 1.00 41.42 O ATOM 1317 CB GLN A 86 17.995 -1.320 -15.864 1.00 12.42 C ATOM 1318 CG GLN A 86 17.401 -0.068 -16.489 1.00 73.05 C ATOM 1319 CD GLN A 86 17.278 1.075 -15.503 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.249 1.778 -15.224 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.078 1.267 -14.967 1.00 61.43 N ATOM 0 H GLN A 86 16.727 -2.521 -17.700 1.00 11.43 H new ATOM 0 HA GLN A 86 19.521 -1.785 -17.304 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.211 -1.855 -15.328 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.743 -1.028 -15.126 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.024 0.246 -17.327 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.416 -0.301 -16.894 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.300 0.660 -15.227 1.00 61.43 H new ATOM 0 HE22 GLN A 86 15.934 2.021 -14.296 1.00 61.43 H new ATOM 1330 N GLY A 87 18.213 -4.562 -16.222 1.00 0.43 N ATOM 1331 CA GLY A 87 18.528 -5.831 -15.595 1.00 2.32 C ATOM 1332 C GLY A 87 18.002 -5.923 -14.175 1.00 44.42 C ATOM 1333 O GLY A 87 18.709 -6.366 -13.270 1.00 32.22 O ATOM 0 H GLY A 87 17.299 -4.523 -16.674 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.105 -6.641 -16.189 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.609 -5.971 -15.589 1.00 2.32 H new ATOM 1337 N LYS A 88 16.757 -5.503 -13.980 1.00 21.33 N ATOM 1338 CA LYS A 88 16.135 -5.538 -12.662 1.00 11.34 C ATOM 1339 C LYS A 88 15.603 -6.933 -12.349 1.00 1.12 C ATOM 1340 O LYS A 88 15.609 -7.365 -11.196 1.00 61.44 O ATOM 1341 CB LYS A 88 14.996 -4.518 -12.584 1.00 75.34 C ATOM 1342 CG LYS A 88 15.426 -3.101 -12.919 1.00 24.51 C ATOM 1343 CD LYS A 88 15.904 -2.356 -11.683 1.00 73.13 C ATOM 1344 CE LYS A 88 17.383 -2.011 -11.777 1.00 11.13 C ATOM 1345 NZ LYS A 88 17.800 -1.063 -10.708 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.158 -5.134 -14.719 1.00 21.33 H new ATOM 0 HA LYS A 88 16.894 -5.282 -11.923 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.202 -4.819 -13.268 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.574 -4.533 -11.579 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.225 -3.128 -13.660 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.591 -2.563 -13.369 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.323 -1.442 -11.561 1.00 73.13 H new ATOM 0 HD3 LYS A 88 15.727 -2.967 -10.798 1.00 73.13 H new ATOM 0 HE2 LYS A 88 17.974 -2.924 -11.704 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.592 -1.573 -12.753 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 18.814 -0.853 -10.806 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.254 -0.182 -10.793 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 17.624 -1.491 -9.777 1.00 30.44 H new ATOM 1359 N ILE A 89 15.148 -7.634 -13.382 1.00 4.34 N ATOM 1360 CA ILE A 89 14.616 -8.980 -13.216 1.00 61.10 C ATOM 1361 C ILE A 89 15.600 -10.027 -13.730 1.00 40.34 C ATOM 1362 O ILE A 89 16.123 -9.909 -14.837 1.00 73.31 O ATOM 1363 CB ILE A 89 13.273 -9.150 -13.951 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.314 -8.019 -13.573 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.659 -10.503 -13.625 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.839 -7.210 -14.760 1.00 63.11 C ATOM 0 H ILE A 89 15.137 -7.292 -14.343 1.00 4.34 H new ATOM 0 HA ILE A 89 14.457 -9.127 -12.148 1.00 61.10 H new ATOM 0 HB ILE A 89 13.454 -9.104 -15.025 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.449 -8.442 -13.062 1.00 63.53 H new ATOM 0 HG13 ILE A 89 12.809 -7.355 -12.865 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.711 -10.609 -14.152 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.338 -11.296 -13.938 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.488 -10.576 -12.551 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.163 -6.426 -14.419 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.696 -6.758 -15.259 1.00 63.11 H new ATOM 0 HD13 ILE A 89 11.315 -7.862 -15.459 1.00 63.11 H new ATOM 1378 N GLU A 90 15.844 -11.051 -12.918 1.00 44.31 N ATOM 1379 CA GLU A 90 16.764 -12.117 -13.291 1.00 3.44 C ATOM 1380 C GLU A 90 16.019 -13.269 -13.960 1.00 63.21 C ATOM 1381 O GLU A 90 14.851 -13.525 -13.661 1.00 12.42 O ATOM 1382 CB GLU A 90 17.515 -12.630 -12.059 1.00 21.54 C ATOM 1383 CG GLU A 90 18.993 -12.278 -12.058 1.00 21.32 C ATOM 1384 CD GLU A 90 19.884 -13.505 -12.051 1.00 53.14 C ATOM 1385 OE1 GLU A 90 20.388 -13.877 -13.132 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.077 -14.092 -10.966 1.00 73.11 O1- ATOM 0 H GLU A 90 15.417 -11.164 -11.998 1.00 44.31 H new ATOM 0 HA GLU A 90 17.482 -11.708 -14.002 1.00 3.44 H new ATOM 0 HB2 GLU A 90 17.051 -12.217 -11.163 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.408 -13.713 -12.003 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.220 -11.674 -12.937 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.217 -11.666 -11.184 1.00 21.32 H new ATOM 1393 N LEU A 91 16.701 -13.959 -14.867 1.00 41.35 N ATOM 1394 CA LEU A 91 16.104 -15.083 -15.580 1.00 12.31 C ATOM 1395 C LEU A 91 16.707 -16.405 -15.115 1.00 71.23 C ATOM 1396 O LEU A 91 17.919 -16.605 -15.185 1.00 24.34 O ATOM 1397 CB LEU A 91 16.306 -14.921 -17.089 1.00 34.35 C ATOM 1398 CG LEU A 91 15.825 -13.601 -17.692 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.572 -13.301 -18.982 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.324 -13.643 -17.939 1.00 15.23 C ATOM 0 H LEU A 91 17.667 -13.760 -15.126 1.00 41.35 H new ATOM 0 HA LEU A 91 15.036 -15.094 -15.361 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.368 -15.031 -17.307 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.790 -15.738 -17.594 1.00 34.35 H new ATOM 0 HG LEU A 91 16.033 -12.801 -16.981 1.00 43.14 H new ATOM 0 HD11 LEU A 91 16.217 -12.358 -19.397 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.640 -13.227 -18.775 1.00 21.14 H new ATOM 0 HD13 LEU A 91 16.396 -14.103 -19.699 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.999 -12.695 -18.368 1.00 15.23 H new ATOM 0 HD22 LEU A 91 14.092 -14.453 -18.630 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.805 -13.811 -16.996 1.00 15.23 H new ATOM 1412 N SER A 92 15.850 -17.305 -14.641 1.00 62.30 N ATOM 1413 CA SER A 92 16.299 -18.608 -14.162 1.00 12.01 C ATOM 1414 C SER A 92 15.397 -19.720 -14.690 1.00 53.43 C ATOM 1415 O SER A 92 14.237 -19.833 -14.299 1.00 42.11 O ATOM 1416 CB SER A 92 16.316 -18.633 -12.632 1.00 32.04 C ATOM 1417 OG SER A 92 15.971 -17.368 -12.097 1.00 24.24 O ATOM 0 H SER A 92 14.843 -17.156 -14.579 1.00 62.30 H new ATOM 0 HA SER A 92 17.310 -18.777 -14.533 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.617 -19.387 -12.270 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.307 -18.922 -12.281 1.00 32.04 H new ATOM 0 HG SER A 92 15.002 -17.236 -12.167 1.00 24.24 H new ATOM 1423 N GLY A 93 15.942 -20.540 -15.583 1.00 72.14 N ATOM 1424 CA GLY A 93 15.174 -21.633 -16.152 1.00 41.14 C ATOM 1425 C GLY A 93 14.793 -21.383 -17.598 1.00 52.41 C ATOM 1426 O GLY A 93 15.346 -22.001 -18.509 1.00 72.03 O ATOM 0 H GLY A 93 16.901 -20.467 -15.923 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.754 -22.553 -16.086 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.270 -21.783 -15.562 1.00 41.14 H new ATOM 1430 N ASP A 94 13.845 -20.476 -17.809 1.00 50.01 N ATOM 1431 CA ASP A 94 13.389 -20.146 -19.154 1.00 42.00 C ATOM 1432 C ASP A 94 13.097 -18.655 -19.278 1.00 61.22 C ATOM 1433 O ASP A 94 12.064 -18.174 -18.814 1.00 24.31 O ATOM 1434 CB ASP A 94 12.140 -20.955 -19.505 1.00 44.20 C ATOM 1435 CG ASP A 94 12.216 -21.569 -20.890 1.00 62.13 C ATOM 1436 OD1 ASP A 94 12.602 -22.752 -20.994 1.00 22.23 O ATOM 1437 OD2 ASP A 94 11.889 -20.866 -21.868 1.00 42.01 O1- ATOM 0 H ASP A 94 13.378 -19.957 -17.066 1.00 50.01 H new ATOM 0 HA ASP A 94 14.185 -20.401 -19.854 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.004 -21.746 -18.767 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.264 -20.309 -19.445 1.00 44.20 H new ATOM 1442 N ALA A 95 14.014 -17.927 -19.909 1.00 52.22 N ATOM 1443 CA ALA A 95 13.854 -16.490 -20.095 1.00 61.03 C ATOM 1444 C ALA A 95 12.742 -16.186 -21.093 1.00 63.24 C ATOM 1445 O ALA A 95 12.109 -15.132 -21.030 1.00 24.01 O ATOM 1446 CB ALA A 95 15.164 -15.869 -20.555 1.00 22.22 C ATOM 0 H ALA A 95 14.875 -18.309 -20.300 1.00 52.22 H new ATOM 0 HA ALA A 95 13.575 -16.053 -19.136 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.030 -14.796 -20.690 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.934 -16.047 -19.805 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.468 -16.319 -21.500 1.00 22.22 H new ATOM 1452 N ASP A 96 12.510 -17.115 -22.014 1.00 31.21 N ATOM 1453 CA ASP A 96 11.474 -16.947 -23.026 1.00 63.04 C ATOM 1454 C ASP A 96 10.087 -16.936 -22.388 1.00 71.11 C ATOM 1455 O ASP A 96 9.297 -16.018 -22.611 1.00 42.54 O ATOM 1456 CB ASP A 96 11.561 -18.064 -24.067 1.00 13.52 C ATOM 1457 CG ASP A 96 10.885 -17.694 -25.372 1.00 14.13 C ATOM 1458 OD1 ASP A 96 11.550 -17.079 -26.231 1.00 42.02 O ATOM 1459 OD2 ASP A 96 9.691 -18.020 -25.534 1.00 51.14 O1- ATOM 0 H ASP A 96 13.026 -17.992 -22.080 1.00 31.21 H new ATOM 0 HA ASP A 96 11.635 -15.988 -23.519 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.608 -18.298 -24.258 1.00 13.52 H new ATOM 0 HB3 ASP A 96 11.100 -18.967 -23.666 1.00 13.52 H new ATOM 1464 N LEU A 97 9.799 -17.962 -21.595 1.00 21.24 N ATOM 1465 CA LEU A 97 8.507 -18.071 -20.925 1.00 53.03 C ATOM 1466 C LEU A 97 8.209 -16.816 -20.111 1.00 34.03 C ATOM 1467 O LEU A 97 7.113 -16.261 -20.187 1.00 22.40 O ATOM 1468 CB LEU A 97 8.486 -19.300 -20.015 1.00 23.04 C ATOM 1469 CG LEU A 97 7.480 -20.391 -20.385 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.668 -21.613 -19.499 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.056 -19.865 -20.276 1.00 13.34 C ATOM 0 H LEU A 97 10.442 -18.730 -21.400 1.00 21.24 H new ATOM 0 HA LEU A 97 7.736 -18.178 -21.688 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.483 -19.740 -20.009 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.277 -18.970 -18.997 1.00 23.04 H new ATOM 0 HG LEU A 97 7.658 -20.686 -21.419 1.00 32.22 H new ATOM 0 HD11 LEU A 97 6.944 -22.379 -19.777 1.00 33.50 H new ATOM 0 HD12 LEU A 97 8.677 -22.004 -19.628 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.518 -21.333 -18.456 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.355 -20.656 -20.543 1.00 13.34 H new ATOM 0 HD22 LEU A 97 5.865 -19.541 -19.253 1.00 13.34 H new ATOM 0 HD23 LEU A 97 5.927 -19.021 -20.954 1.00 13.34 H new ATOM 1483 N ALA A 98 9.191 -16.373 -19.334 1.00 51.02 N ATOM 1484 CA ALA A 98 9.035 -15.181 -18.510 1.00 72.21 C ATOM 1485 C ALA A 98 8.973 -13.923 -19.369 1.00 74.34 C ATOM 1486 O ALA A 98 8.235 -12.987 -19.064 1.00 70.15 O ATOM 1487 CB ALA A 98 10.173 -15.081 -17.505 1.00 43.44 C ATOM 0 H ALA A 98 10.104 -16.822 -19.258 1.00 51.02 H new ATOM 0 HA ALA A 98 8.093 -15.265 -17.968 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.043 -14.186 -16.896 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.169 -15.961 -16.862 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.123 -15.024 -18.036 1.00 43.44 H new ATOM 1493 N ALA A 99 9.754 -13.907 -20.444 1.00 41.25 N ATOM 1494 CA ALA A 99 9.786 -12.765 -21.348 1.00 41.24 C ATOM 1495 C ALA A 99 8.409 -12.496 -21.944 1.00 64.45 C ATOM 1496 O ALA A 99 7.951 -11.354 -21.987 1.00 63.22 O ATOM 1497 CB ALA A 99 10.806 -12.996 -22.454 1.00 14.33 C ATOM 0 H ALA A 99 10.373 -14.673 -20.710 1.00 41.25 H new ATOM 0 HA ALA A 99 10.081 -11.887 -20.773 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.819 -12.135 -23.122 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.795 -13.130 -22.015 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.535 -13.889 -23.018 1.00 14.33 H new ATOM 1503 N LYS A 100 7.751 -13.555 -22.403 1.00 1.23 N ATOM 1504 CA LYS A 100 6.425 -13.435 -22.996 1.00 72.44 C ATOM 1505 C LYS A 100 5.476 -12.690 -22.062 1.00 13.34 C ATOM 1506 O LYS A 100 4.652 -11.890 -22.507 1.00 61.21 O ATOM 1507 CB LYS A 100 5.858 -14.820 -23.316 1.00 31.43 C ATOM 1508 CG LYS A 100 5.709 -15.088 -24.803 1.00 4.53 C ATOM 1509 CD LYS A 100 6.401 -16.379 -25.210 1.00 22.41 C ATOM 1510 CE LYS A 100 6.454 -16.531 -26.722 1.00 35.11 C ATOM 1511 NZ LYS A 100 5.511 -17.576 -27.207 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.115 -14.507 -22.375 1.00 1.23 H new ATOM 0 HA LYS A 100 6.519 -12.865 -23.920 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.509 -15.579 -22.882 1.00 31.43 H new ATOM 0 HB3 LYS A 100 4.884 -14.924 -22.837 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.651 -15.145 -25.059 1.00 4.53 H new ATOM 0 HG3 LYS A 100 6.129 -14.256 -25.367 1.00 4.53 H new ATOM 0 HD2 LYS A 100 7.413 -16.393 -24.806 1.00 22.41 H new ATOM 0 HD3 LYS A 100 5.873 -17.228 -24.776 1.00 22.41 H new ATOM 0 HE2 LYS A 100 6.212 -15.577 -27.192 1.00 35.11 H new ATOM 0 HE3 LYS A 100 7.469 -16.788 -27.026 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 5.577 -17.649 -28.242 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 5.757 -18.491 -26.779 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 4.540 -17.318 -26.939 1.00 40.13 H new ATOM 1525 N LEU A 101 5.599 -12.956 -20.767 1.00 12.30 N ATOM 1526 CA LEU A 101 4.754 -12.309 -19.769 1.00 3.23 C ATOM 1527 C LEU A 101 4.839 -10.790 -19.885 1.00 62.45 C ATOM 1528 O LEU A 101 3.820 -10.102 -19.913 1.00 14.21 O ATOM 1529 CB LEU A 101 5.164 -12.748 -18.362 1.00 62.20 C ATOM 1530 CG LEU A 101 4.126 -13.553 -17.581 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.613 -13.821 -16.165 1.00 50.44 C ATOM 1532 CD2 LEU A 101 2.791 -12.823 -17.559 1.00 34.24 C ATOM 0 H LEU A 101 6.276 -13.615 -20.383 1.00 12.30 H new ATOM 0 HA LEU A 101 3.723 -12.612 -19.951 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.073 -13.344 -18.440 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.414 -11.858 -17.784 1.00 62.20 H new ATOM 0 HG LEU A 101 3.985 -14.511 -18.082 1.00 45.40 H new ATOM 0 HD11 LEU A 101 3.861 -14.395 -15.624 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.544 -14.386 -16.201 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.783 -12.874 -15.653 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.064 -13.411 -16.999 1.00 34.24 H new ATOM 0 HD22 LEU A 101 2.916 -11.851 -17.083 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.436 -12.684 -18.580 1.00 34.24 H new ATOM 1544 N ALA A 102 6.063 -10.276 -19.954 1.00 31.42 N ATOM 1545 CA ALA A 102 6.281 -8.838 -20.073 1.00 1.32 C ATOM 1546 C ALA A 102 5.422 -8.242 -21.183 1.00 62.44 C ATOM 1547 O ALA A 102 4.689 -7.279 -20.963 1.00 20.35 O ATOM 1548 CB ALA A 102 7.752 -8.548 -20.327 1.00 64.24 C ATOM 0 H ALA A 102 6.918 -10.832 -19.930 1.00 31.42 H new ATOM 0 HA ALA A 102 5.987 -8.371 -19.133 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.901 -7.472 -20.414 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.347 -8.931 -19.498 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.064 -9.033 -21.252 1.00 64.24 H new ATOM 1554 N GLU A 103 5.518 -8.822 -22.376 1.00 45.13 N ATOM 1555 CA GLU A 103 4.750 -8.344 -23.520 1.00 0.13 C ATOM 1556 C GLU A 103 3.267 -8.245 -23.177 1.00 54.13 C ATOM 1557 O GLU A 103 2.548 -7.405 -23.718 1.00 43.44 O ATOM 1558 CB GLU A 103 4.946 -9.277 -24.718 1.00 65.34 C ATOM 1559 CG GLU A 103 3.840 -10.307 -24.874 1.00 71.40 C ATOM 1560 CD GLU A 103 2.650 -9.773 -25.646 1.00 43.23 C ATOM 1561 OE1 GLU A 103 1.515 -9.887 -25.138 1.00 35.33 O ATOM 1562 OE2 GLU A 103 2.853 -9.242 -26.758 1.00 44.42 O1- ATOM 0 H GLU A 103 6.119 -9.622 -22.575 1.00 45.13 H new ATOM 0 HA GLU A 103 5.112 -7.349 -23.779 1.00 0.13 H new ATOM 0 HB2 GLU A 103 5.005 -8.679 -25.628 1.00 65.34 H new ATOM 0 HB3 GLU A 103 5.900 -9.794 -24.613 1.00 65.34 H new ATOM 0 HG2 GLU A 103 4.236 -11.185 -25.385 1.00 71.40 H new ATOM 0 HG3 GLU A 103 3.511 -10.634 -23.887 1.00 71.40 H new ATOM 1569 N VAL A 104 2.816 -9.107 -22.271 1.00 33.41 N ATOM 1570 CA VAL A 104 1.418 -9.117 -21.854 1.00 23.33 C ATOM 1571 C VAL A 104 1.142 -8.018 -20.835 1.00 20.50 C ATOM 1572 O VAL A 104 0.043 -7.464 -20.787 1.00 4.15 O ATOM 1573 CB VAL A 104 1.024 -10.477 -21.245 1.00 33.51 C ATOM 1574 CG1 VAL A 104 -0.487 -10.585 -21.118 1.00 74.10 C ATOM 1575 CG2 VAL A 104 1.580 -11.617 -22.085 1.00 43.11 C ATOM 0 H VAL A 104 3.398 -9.807 -21.812 1.00 33.41 H new ATOM 0 HA VAL A 104 0.819 -8.940 -22.747 1.00 23.33 H new ATOM 0 HB VAL A 104 1.455 -10.549 -20.246 1.00 33.51 H new ATOM 0 HG11 VAL A 104 -0.748 -11.551 -20.686 1.00 74.10 H new ATOM 0 HG12 VAL A 104 -0.856 -9.788 -20.473 1.00 74.10 H new ATOM 0 HG13 VAL A 104 -0.942 -10.493 -22.104 1.00 74.10 H new ATOM 0 HG21 VAL A 104 1.293 -12.570 -21.641 1.00 43.11 H new ATOM 0 HG22 VAL A 104 1.179 -11.553 -23.097 1.00 43.11 H new ATOM 0 HG23 VAL A 104 2.667 -11.546 -22.120 1.00 43.11 H new ATOM 1585 N ILE A 105 2.146 -7.704 -20.023 1.00 64.50 N ATOM 1586 CA ILE A 105 2.012 -6.669 -19.006 1.00 64.45 C ATOM 1587 C ILE A 105 1.649 -5.327 -19.632 1.00 25.40 C ATOM 1588 O ILE A 105 0.963 -4.509 -19.019 1.00 74.01 O ATOM 1589 CB ILE A 105 3.309 -6.509 -18.190 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.640 -7.810 -17.458 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.174 -5.359 -17.203 1.00 10.31 C ATOM 1592 CD1 ILE A 105 5.006 -7.807 -16.808 1.00 20.20 C ATOM 0 H ILE A 105 3.062 -8.152 -20.050 1.00 64.50 H new ATOM 0 HA ILE A 105 1.210 -6.985 -18.339 1.00 64.45 H new ATOM 0 HB ILE A 105 4.126 -6.281 -18.874 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.884 -7.990 -16.694 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.584 -8.639 -18.164 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.098 -5.258 -16.634 1.00 10.31 H new ATOM 0 HG22 ILE A 105 2.980 -4.434 -17.746 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.348 -5.560 -16.521 1.00 10.31 H new ATOM 0 HD11 ILE A 105 5.173 -8.761 -16.307 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.771 -7.658 -17.570 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.060 -7.000 -16.078 1.00 20.20 H new