USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 25 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.5!) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00329) USER MOD Single : A 2 SER OG : rot -59:sc= 0.489 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 38:sc= 0.487 USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= -0.132 (180deg=-0.133) USER MOD Single : A 13 GLN : amide:sc= -1.6! K(o=-1.6!,f=-2.1) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 16 GLN : amide:sc= 0.154 X(o=0.15,f=-0.11) USER MOD Single : A 19 MET CE :methyl 135:sc= -1.46 (180deg=-5.08!) USER MOD Single : A 23 THR OG1 : rot 78:sc= 0.491 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= -0.652 (180deg=-2.31!) USER MOD Single : A 40 ASN : amide:sc= -0.746 K(o=-0.75,f=-2.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -113:sc= 1.11 (180deg=-0.102) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -127:sc= -1.1 (180deg=-2.5) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0.0776 (180deg=-0.067) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.519 15.413 -25.357 1.00 0.00 N ATOM 2 CA GLY A 1 -19.519 14.329 -26.322 1.00 0.00 C ATOM 3 C GLY A 1 -19.389 12.969 -25.666 1.00 0.00 C ATOM 4 O GLY A 1 -18.603 12.131 -26.109 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.576 16.323 -25.857 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.338 15.314 -24.724 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.643 15.380 -24.797 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.441 14.363 -26.902 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.697 14.471 -27.023 1.00 0.00 H new ATOM 8 N SER A 2 -20.161 12.748 -24.607 1.00 0.00 N ATOM 9 CA SER A 2 -20.124 11.482 -23.885 1.00 0.00 C ATOM 10 C SER A 2 -18.774 11.284 -23.203 1.00 0.00 C ATOM 11 O SER A 2 -18.212 10.189 -23.221 1.00 0.00 O ATOM 12 CB SER A 2 -20.402 10.319 -24.839 1.00 0.00 C ATOM 13 OG SER A 2 -20.532 9.098 -24.131 1.00 0.00 O ATOM 0 H SER A 2 -20.820 13.429 -24.230 1.00 0.00 H new ATOM 0 HA SER A 2 -20.898 11.507 -23.118 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.315 10.516 -25.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.592 10.238 -25.564 1.00 0.00 H new ATOM 0 HG SER A 2 -19.706 8.917 -23.636 1.00 0.00 H new ATOM 19 N SER A 3 -18.260 12.352 -22.601 1.00 0.00 N ATOM 20 CA SER A 3 -16.974 12.298 -21.916 1.00 0.00 C ATOM 21 C SER A 3 -17.086 11.511 -20.613 1.00 0.00 C ATOM 22 O SER A 3 -17.954 11.782 -19.784 1.00 0.00 O ATOM 23 CB SER A 3 -16.465 13.712 -21.629 1.00 0.00 C ATOM 24 OG SER A 3 -16.235 14.424 -22.832 1.00 0.00 O ATOM 0 H SER A 3 -18.714 13.265 -22.574 1.00 0.00 H new ATOM 0 HA SER A 3 -16.264 11.790 -22.568 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.193 14.247 -21.019 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.542 13.660 -21.051 1.00 0.00 H new ATOM 0 HG SER A 3 -15.912 15.325 -22.622 1.00 0.00 H new ATOM 30 N GLY A 4 -16.199 10.535 -20.440 1.00 0.00 N ATOM 31 CA GLY A 4 -16.215 9.724 -19.237 1.00 0.00 C ATOM 32 C GLY A 4 -15.119 10.111 -18.263 1.00 0.00 C ATOM 33 O GLY A 4 -14.176 9.350 -18.045 1.00 0.00 O ATOM 0 H GLY A 4 -15.470 10.292 -21.111 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.184 9.824 -18.748 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.102 8.674 -19.508 1.00 0.00 H new ATOM 37 N SER A 5 -15.242 11.297 -17.677 1.00 0.00 N ATOM 38 CA SER A 5 -14.252 11.786 -16.725 1.00 0.00 C ATOM 39 C SER A 5 -14.922 12.254 -15.436 1.00 0.00 C ATOM 40 O SER A 5 -15.648 13.248 -15.426 1.00 0.00 O ATOM 41 CB SER A 5 -13.445 12.932 -17.339 1.00 0.00 C ATOM 42 OG SER A 5 -12.257 13.169 -16.605 1.00 0.00 O ATOM 0 H SER A 5 -16.018 11.938 -17.845 1.00 0.00 H new ATOM 0 HA SER A 5 -13.578 10.964 -16.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.196 12.692 -18.373 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.051 13.838 -17.359 1.00 0.00 H new ATOM 0 HG SER A 5 -11.758 13.904 -17.018 1.00 0.00 H new ATOM 48 N SER A 6 -14.671 11.530 -14.350 1.00 0.00 N ATOM 49 CA SER A 6 -15.252 11.867 -13.056 1.00 0.00 C ATOM 50 C SER A 6 -14.161 12.125 -12.021 1.00 0.00 C ATOM 51 O SER A 6 -13.654 11.197 -11.392 1.00 0.00 O ATOM 52 CB SER A 6 -16.170 10.741 -12.576 1.00 0.00 C ATOM 53 OG SER A 6 -17.427 10.795 -13.228 1.00 0.00 O ATOM 0 H SER A 6 -14.069 10.706 -14.341 1.00 0.00 H new ATOM 0 HA SER A 6 -15.838 12.778 -13.175 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.699 9.777 -12.767 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.312 10.818 -11.498 1.00 0.00 H new ATOM 0 HG SER A 6 -17.995 10.064 -12.905 1.00 0.00 H new ATOM 59 N GLY A 7 -13.804 13.394 -11.850 1.00 0.00 N ATOM 60 CA GLY A 7 -12.776 13.753 -10.891 1.00 0.00 C ATOM 61 C GLY A 7 -11.517 14.272 -11.558 1.00 0.00 C ATOM 62 O GLY A 7 -10.736 13.501 -12.116 1.00 0.00 O ATOM 0 H GLY A 7 -14.209 14.180 -12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.165 14.514 -10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.529 12.882 -10.284 1.00 0.00 H new ATOM 66 N THR A 8 -11.319 15.586 -11.503 1.00 0.00 N ATOM 67 CA THR A 8 -10.149 16.209 -12.108 1.00 0.00 C ATOM 68 C THR A 8 -8.865 15.530 -11.647 1.00 0.00 C ATOM 69 O THR A 8 -8.678 15.272 -10.457 1.00 0.00 O ATOM 70 CB THR A 8 -10.073 17.710 -11.770 1.00 0.00 C ATOM 71 OG1 THR A 8 -8.952 18.305 -12.433 1.00 0.00 O ATOM 72 CG2 THR A 8 -9.952 17.921 -10.269 1.00 0.00 C ATOM 0 H THR A 8 -11.955 16.239 -11.045 1.00 0.00 H new ATOM 0 HA THR A 8 -10.251 16.092 -13.187 1.00 0.00 H new ATOM 0 HB THR A 8 -10.992 18.185 -12.114 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.912 19.259 -12.215 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.900 18.988 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.821 17.493 -9.770 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.048 17.433 -9.905 1.00 0.00 H new ATOM 80 N THR A 9 -7.979 15.242 -12.595 1.00 0.00 N ATOM 81 CA THR A 9 -6.711 14.593 -12.286 1.00 0.00 C ATOM 82 C THR A 9 -5.723 15.579 -11.673 1.00 0.00 C ATOM 83 O THR A 9 -5.297 16.532 -12.325 1.00 0.00 O ATOM 84 CB THR A 9 -6.080 13.966 -13.543 1.00 0.00 C ATOM 85 OG1 THR A 9 -5.937 14.957 -14.566 1.00 0.00 O ATOM 86 CG2 THR A 9 -6.930 12.815 -14.059 1.00 0.00 C ATOM 0 H THR A 9 -8.117 15.448 -13.584 1.00 0.00 H new ATOM 0 HA THR A 9 -6.927 13.805 -11.565 1.00 0.00 H new ATOM 0 HB THR A 9 -5.097 13.578 -13.274 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.678 15.811 -14.160 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.464 12.388 -14.947 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.011 12.049 -13.288 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.925 13.182 -14.312 1.00 0.00 H new ATOM 94 N ALA A 10 -5.362 15.344 -10.416 1.00 0.00 N ATOM 95 CA ALA A 10 -4.422 16.210 -9.716 1.00 0.00 C ATOM 96 C ALA A 10 -3.617 15.427 -8.684 1.00 0.00 C ATOM 97 O ALA A 10 -4.115 14.473 -8.086 1.00 0.00 O ATOM 98 CB ALA A 10 -5.161 17.360 -9.048 1.00 0.00 C ATOM 0 H ALA A 10 -5.707 14.560 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.726 16.616 -10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.447 17.999 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.686 17.943 -9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.880 16.963 -8.332 1.00 0.00 H new ATOM 104 N LYS A 11 -2.369 15.834 -8.482 1.00 0.00 N ATOM 105 CA LYS A 11 -1.493 15.171 -7.523 1.00 0.00 C ATOM 106 C LYS A 11 -2.075 15.244 -6.114 1.00 0.00 C ATOM 107 O LYS A 11 -2.340 14.227 -5.473 1.00 0.00 O ATOM 108 CB LYS A 11 -0.102 15.809 -7.545 1.00 0.00 C ATOM 109 CG LYS A 11 0.598 15.788 -6.197 1.00 0.00 C ATOM 110 CD LYS A 11 0.941 14.370 -5.770 1.00 0.00 C ATOM 111 CE LYS A 11 1.098 14.266 -4.261 1.00 0.00 C ATOM 112 NZ LYS A 11 -0.190 13.935 -3.591 1.00 0.00 N ATOM 0 H LYS A 11 -1.941 16.621 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.410 14.123 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.517 15.286 -8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.190 16.841 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.509 16.384 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.042 16.251 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.158 13.689 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.865 14.056 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.837 13.501 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.479 15.209 -3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.045 13.890 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.894 14.669 -3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.533 13.015 -3.933 1.00 0.00 H new ATOM 126 N PRO A 12 -2.281 16.474 -5.621 1.00 0.00 N ATOM 127 CA PRO A 12 -2.836 16.708 -4.284 1.00 0.00 C ATOM 128 C PRO A 12 -4.307 16.318 -4.191 1.00 0.00 C ATOM 129 O PRO A 12 -4.913 16.403 -3.124 1.00 0.00 O ATOM 130 CB PRO A 12 -2.669 18.217 -4.090 1.00 0.00 C ATOM 131 CG PRO A 12 -2.645 18.776 -5.471 1.00 0.00 C ATOM 132 CD PRO A 12 -1.988 17.731 -6.330 1.00 0.00 C ATOM 0 HA PRO A 12 -2.335 16.109 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.491 18.635 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.749 18.448 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.654 18.992 -5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.089 19.713 -5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.396 17.727 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.915 17.901 -6.420 1.00 0.00 H new ATOM 140 N GLN A 13 -4.873 15.890 -5.315 1.00 0.00 N ATOM 141 CA GLN A 13 -6.274 15.488 -5.358 1.00 0.00 C ATOM 142 C GLN A 13 -6.410 13.975 -5.225 1.00 0.00 C ATOM 143 O GLN A 13 -7.001 13.477 -4.267 1.00 0.00 O ATOM 144 CB GLN A 13 -6.921 15.957 -6.662 1.00 0.00 C ATOM 145 CG GLN A 13 -8.420 15.709 -6.721 1.00 0.00 C ATOM 146 CD GLN A 13 -8.762 14.304 -7.174 1.00 0.00 C ATOM 147 OE1 GLN A 13 -9.375 13.533 -6.436 1.00 0.00 O ATOM 148 NE2 GLN A 13 -8.365 13.962 -8.395 1.00 0.00 N ATOM 0 H GLN A 13 -4.384 15.813 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.786 15.956 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.732 17.023 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.444 15.447 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.852 15.884 -5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.877 16.427 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.859 14.633 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.566 13.029 -8.754 1.00 0.00 H new ATOM 157 N GLN A 14 -5.859 13.249 -6.193 1.00 0.00 N ATOM 158 CA GLN A 14 -5.920 11.792 -6.183 1.00 0.00 C ATOM 159 C GLN A 14 -5.754 11.249 -4.768 1.00 0.00 C ATOM 160 O GLN A 14 -6.235 10.162 -4.449 1.00 0.00 O ATOM 161 CB GLN A 14 -4.840 11.209 -7.096 1.00 0.00 C ATOM 162 CG GLN A 14 -3.426 11.432 -6.585 1.00 0.00 C ATOM 163 CD GLN A 14 -2.372 10.878 -7.523 1.00 0.00 C ATOM 164 OE1 GLN A 14 -2.691 10.252 -8.534 1.00 0.00 O ATOM 165 NE2 GLN A 14 -1.106 11.106 -7.192 1.00 0.00 N ATOM 0 H GLN A 14 -5.366 13.645 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.900 11.492 -6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.012 10.139 -7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.934 11.654 -8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.258 12.500 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.319 10.963 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.887 11.630 -6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.353 10.757 -7.785 1.00 0.00 H new ATOM 174 N ILE A 15 -5.069 12.013 -3.923 1.00 0.00 N ATOM 175 CA ILE A 15 -4.840 11.608 -2.542 1.00 0.00 C ATOM 176 C ILE A 15 -6.100 11.007 -1.929 1.00 0.00 C ATOM 177 O ILE A 15 -6.097 9.861 -1.481 1.00 0.00 O ATOM 178 CB ILE A 15 -4.378 12.796 -1.677 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.941 13.185 -2.032 1.00 0.00 C ATOM 180 CG2 ILE A 15 -4.489 12.450 -0.200 1.00 0.00 C ATOM 181 CD1 ILE A 15 -2.506 14.502 -1.429 1.00 0.00 C ATOM 0 H ILE A 15 -4.663 12.915 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.053 10.854 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.026 13.648 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.266 12.399 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.846 13.242 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.159 13.299 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.526 12.217 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.862 11.586 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.478 14.714 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.157 15.299 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.569 14.443 -0.342 1.00 0.00 H new ATOM 193 N GLN A 16 -7.175 11.788 -1.915 1.00 0.00 N ATOM 194 CA GLN A 16 -8.443 11.332 -1.358 1.00 0.00 C ATOM 195 C GLN A 16 -8.776 9.925 -1.843 1.00 0.00 C ATOM 196 O GLN A 16 -9.292 9.103 -1.087 1.00 0.00 O ATOM 197 CB GLN A 16 -9.568 12.296 -1.740 1.00 0.00 C ATOM 198 CG GLN A 16 -10.914 11.928 -1.136 1.00 0.00 C ATOM 199 CD GLN A 16 -10.874 11.851 0.377 1.00 0.00 C ATOM 200 OE1 GLN A 16 -10.930 12.871 1.065 1.00 0.00 O ATOM 201 NE2 GLN A 16 -10.776 10.636 0.905 1.00 0.00 N ATOM 0 H GLN A 16 -7.193 12.739 -2.283 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.347 11.309 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.298 13.302 -1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.661 12.321 -2.826 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.657 12.665 -1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.237 10.967 -1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.732 9.818 0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.744 10.521 1.918 1.00 0.00 H new ATOM 210 N ALA A 17 -8.477 9.655 -3.110 1.00 0.00 N ATOM 211 CA ALA A 17 -8.743 8.347 -3.695 1.00 0.00 C ATOM 212 C ALA A 17 -7.731 7.314 -3.213 1.00 0.00 C ATOM 213 O ALA A 17 -8.043 6.127 -3.106 1.00 0.00 O ATOM 214 CB ALA A 17 -8.727 8.436 -5.214 1.00 0.00 C ATOM 0 H ALA A 17 -8.051 10.325 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.733 8.026 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.927 7.452 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -9.493 9.137 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.749 8.783 -5.548 1.00 0.00 H new ATOM 220 N LEU A 18 -6.517 7.771 -2.924 1.00 0.00 N ATOM 221 CA LEU A 18 -5.458 6.885 -2.453 1.00 0.00 C ATOM 222 C LEU A 18 -5.786 6.331 -1.071 1.00 0.00 C ATOM 223 O LEU A 18 -5.824 5.117 -0.871 1.00 0.00 O ATOM 224 CB LEU A 18 -4.123 7.631 -2.413 1.00 0.00 C ATOM 225 CG LEU A 18 -3.340 7.677 -3.725 1.00 0.00 C ATOM 226 CD1 LEU A 18 -2.195 8.674 -3.628 1.00 0.00 C ATOM 227 CD2 LEU A 18 -2.816 6.294 -4.082 1.00 0.00 C ATOM 0 H LEU A 18 -6.242 8.750 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.380 6.050 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.311 8.655 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.493 7.168 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.014 8.004 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.649 8.693 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.594 9.667 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.521 8.377 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.261 6.346 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.158 5.939 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.653 5.605 -4.194 1.00 0.00 H new ATOM 239 N MET A 19 -6.025 7.228 -0.120 1.00 0.00 N ATOM 240 CA MET A 19 -6.354 6.828 1.243 1.00 0.00 C ATOM 241 C MET A 19 -7.481 5.799 1.251 1.00 0.00 C ATOM 242 O MET A 19 -7.512 4.906 2.097 1.00 0.00 O ATOM 243 CB MET A 19 -6.756 8.048 2.073 1.00 0.00 C ATOM 244 CG MET A 19 -5.630 9.052 2.263 1.00 0.00 C ATOM 245 SD MET A 19 -6.052 10.356 3.433 1.00 0.00 S ATOM 246 CE MET A 19 -6.554 11.664 2.317 1.00 0.00 C ATOM 0 H MET A 19 -5.997 8.237 -0.268 1.00 0.00 H new ATOM 0 HA MET A 19 -5.467 6.373 1.685 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.597 8.545 1.590 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.103 7.714 3.051 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.739 8.531 2.612 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.381 9.499 1.301 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.474 12.120 2.682 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.770 12.420 2.266 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.724 11.249 1.323 1.00 0.00 H new ATOM 256 N ASP A 20 -8.403 5.932 0.304 1.00 0.00 N ATOM 257 CA ASP A 20 -9.531 5.014 0.202 1.00 0.00 C ATOM 258 C ASP A 20 -9.058 3.609 -0.158 1.00 0.00 C ATOM 259 O ASP A 20 -9.340 2.647 0.555 1.00 0.00 O ATOM 260 CB ASP A 20 -10.529 5.513 -0.844 1.00 0.00 C ATOM 261 CG ASP A 20 -11.551 6.468 -0.260 1.00 0.00 C ATOM 262 OD1 ASP A 20 -12.168 6.120 0.768 1.00 0.00 O ATOM 263 OD2 ASP A 20 -11.735 7.563 -0.832 1.00 0.00 O ATOM 0 H ASP A 20 -8.391 6.666 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.024 4.974 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.989 6.011 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.044 4.660 -1.286 1.00 0.00 H new ATOM 268 N GLU A 21 -8.337 3.500 -1.270 1.00 0.00 N ATOM 269 CA GLU A 21 -7.826 2.212 -1.725 1.00 0.00 C ATOM 270 C GLU A 21 -6.849 1.625 -0.710 1.00 0.00 C ATOM 271 O GLU A 21 -6.772 0.408 -0.538 1.00 0.00 O ATOM 272 CB GLU A 21 -7.139 2.362 -3.084 1.00 0.00 C ATOM 273 CG GLU A 21 -6.022 3.392 -3.091 1.00 0.00 C ATOM 274 CD GLU A 21 -5.165 3.315 -4.339 1.00 0.00 C ATOM 275 OE1 GLU A 21 -5.732 3.139 -5.438 1.00 0.00 O ATOM 276 OE2 GLU A 21 -3.928 3.431 -4.217 1.00 0.00 O ATOM 0 H GLU A 21 -8.094 4.287 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.670 1.530 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.733 1.396 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.884 2.641 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.453 4.390 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.393 3.246 -2.213 1.00 0.00 H new ATOM 283 N VAL A 22 -6.103 2.499 -0.042 1.00 0.00 N ATOM 284 CA VAL A 22 -5.131 2.069 0.956 1.00 0.00 C ATOM 285 C VAL A 22 -5.819 1.411 2.146 1.00 0.00 C ATOM 286 O VAL A 22 -5.515 0.272 2.503 1.00 0.00 O ATOM 287 CB VAL A 22 -4.281 3.251 1.458 1.00 0.00 C ATOM 288 CG1 VAL A 22 -3.545 2.876 2.734 1.00 0.00 C ATOM 289 CG2 VAL A 22 -3.304 3.700 0.381 1.00 0.00 C ATOM 0 H VAL A 22 -6.153 3.509 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.479 1.343 0.470 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.946 4.084 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.950 3.724 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.267 2.608 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.889 2.027 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.712 4.536 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.643 2.873 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.857 4.013 -0.505 1.00 0.00 H new ATOM 299 N THR A 23 -6.751 2.135 2.759 1.00 0.00 N ATOM 300 CA THR A 23 -7.483 1.622 3.910 1.00 0.00 C ATOM 301 C THR A 23 -8.017 0.220 3.642 1.00 0.00 C ATOM 302 O THR A 23 -7.663 -0.734 4.336 1.00 0.00 O ATOM 303 CB THR A 23 -8.659 2.544 4.284 1.00 0.00 C ATOM 304 OG1 THR A 23 -8.165 3.800 4.761 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.535 1.900 5.348 1.00 0.00 C ATOM 0 H THR A 23 -7.016 3.079 2.477 1.00 0.00 H new ATOM 0 HA THR A 23 -6.779 1.587 4.742 1.00 0.00 H new ATOM 0 HB THR A 23 -9.262 2.707 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.879 4.349 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.358 2.570 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.934 0.959 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.941 1.709 6.242 1.00 0.00 H new ATOM 313 N LYS A 24 -8.871 0.100 2.631 1.00 0.00 N ATOM 314 CA LYS A 24 -9.453 -1.187 2.269 1.00 0.00 C ATOM 315 C LYS A 24 -8.373 -2.258 2.149 1.00 0.00 C ATOM 316 O LYS A 24 -8.454 -3.307 2.789 1.00 0.00 O ATOM 317 CB LYS A 24 -10.219 -1.071 0.950 1.00 0.00 C ATOM 318 CG LYS A 24 -10.691 -2.406 0.401 1.00 0.00 C ATOM 319 CD LYS A 24 -11.150 -2.284 -1.043 1.00 0.00 C ATOM 320 CE LYS A 24 -12.032 -3.455 -1.448 1.00 0.00 C ATOM 321 NZ LYS A 24 -13.453 -3.241 -1.058 1.00 0.00 N ATOM 0 H LYS A 24 -9.176 0.879 2.047 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.145 -1.480 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.083 -0.422 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.580 -0.589 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.882 -3.134 0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.510 -2.783 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.699 -1.351 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.281 -2.237 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.970 -3.601 -2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.661 -4.367 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.021 -4.061 -1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.516 -3.127 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.816 -2.385 -1.523 1.00 0.00 H new ATOM 335 N GLN A 25 -7.365 -1.986 1.328 1.00 0.00 N ATOM 336 CA GLN A 25 -6.269 -2.927 1.126 1.00 0.00 C ATOM 337 C GLN A 25 -5.822 -3.534 2.452 1.00 0.00 C ATOM 338 O GLN A 25 -5.592 -4.738 2.548 1.00 0.00 O ATOM 339 CB GLN A 25 -5.089 -2.230 0.447 1.00 0.00 C ATOM 340 CG GLN A 25 -4.085 -3.192 -0.167 1.00 0.00 C ATOM 341 CD GLN A 25 -4.686 -4.033 -1.277 1.00 0.00 C ATOM 342 OE1 GLN A 25 -5.202 -3.504 -2.262 1.00 0.00 O ATOM 343 NE2 GLN A 25 -4.621 -5.350 -1.123 1.00 0.00 N ATOM 0 H GLN A 25 -7.284 -1.122 0.792 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.627 -3.730 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.468 -1.568 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.579 -1.603 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.240 -2.627 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.694 -3.849 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.184 -5.745 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.008 -5.967 -1.837 1.00 0.00 H new ATOM 352 N GLY A 26 -5.699 -2.690 3.472 1.00 0.00 N ATOM 353 CA GLY A 26 -5.279 -3.162 4.779 1.00 0.00 C ATOM 354 C GLY A 26 -6.239 -4.178 5.365 1.00 0.00 C ATOM 355 O GLY A 26 -5.819 -5.163 5.969 1.00 0.00 O ATOM 0 H GLY A 26 -5.883 -1.688 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.287 -3.608 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.194 -2.314 5.458 1.00 0.00 H new ATOM 359 N ASN A 27 -7.534 -3.935 5.188 1.00 0.00 N ATOM 360 CA ASN A 27 -8.558 -4.836 5.706 1.00 0.00 C ATOM 361 C ASN A 27 -8.587 -6.140 4.914 1.00 0.00 C ATOM 362 O ASN A 27 -8.653 -7.226 5.490 1.00 0.00 O ATOM 363 CB ASN A 27 -9.931 -4.164 5.655 1.00 0.00 C ATOM 364 CG ASN A 27 -9.899 -2.742 6.180 1.00 0.00 C ATOM 365 OD1 ASN A 27 -9.247 -2.453 7.183 1.00 0.00 O ATOM 366 ND2 ASN A 27 -10.607 -1.845 5.503 1.00 0.00 N ATOM 0 H ASN A 27 -7.899 -3.123 4.690 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.313 -5.067 6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.293 -4.161 4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.641 -4.749 6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.625 -0.872 5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.133 -2.129 4.676 1.00 0.00 H new ATOM 373 N ILE A 28 -8.537 -6.023 3.592 1.00 0.00 N ATOM 374 CA ILE A 28 -8.556 -7.192 2.721 1.00 0.00 C ATOM 375 C ILE A 28 -7.549 -8.239 3.185 1.00 0.00 C ATOM 376 O ILE A 28 -7.860 -9.428 3.254 1.00 0.00 O ATOM 377 CB ILE A 28 -8.248 -6.812 1.261 1.00 0.00 C ATOM 378 CG1 ILE A 28 -9.247 -5.766 0.762 1.00 0.00 C ATOM 379 CG2 ILE A 28 -8.278 -8.047 0.374 1.00 0.00 C ATOM 380 CD1 ILE A 28 -8.868 -5.154 -0.568 1.00 0.00 C ATOM 0 H ILE A 28 -8.483 -5.131 3.100 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.562 -7.609 2.775 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.247 -6.382 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.230 -6.228 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.333 -4.974 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.058 -7.762 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.531 -8.761 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.266 -8.504 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.621 -4.422 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.899 -4.662 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.810 -5.936 -1.325 1.00 0.00 H new ATOM 392 N VAL A 29 -6.339 -7.789 3.504 1.00 0.00 N ATOM 393 CA VAL A 29 -5.286 -8.686 3.965 1.00 0.00 C ATOM 394 C VAL A 29 -5.636 -9.295 5.318 1.00 0.00 C ATOM 395 O VAL A 29 -5.396 -10.478 5.559 1.00 0.00 O ATOM 396 CB VAL A 29 -3.935 -7.955 4.077 1.00 0.00 C ATOM 397 CG1 VAL A 29 -2.867 -8.888 4.627 1.00 0.00 C ATOM 398 CG2 VAL A 29 -3.520 -7.395 2.725 1.00 0.00 C ATOM 0 H VAL A 29 -6.064 -6.808 3.451 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.200 -9.481 3.224 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.048 -7.122 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.919 -8.354 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.163 -9.237 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.752 -9.743 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.563 -6.882 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.423 -8.210 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.275 -6.691 2.375 1.00 0.00 H new ATOM 408 N ARG A 30 -6.205 -8.478 6.199 1.00 0.00 N ATOM 409 CA ARG A 30 -6.587 -8.935 7.529 1.00 0.00 C ATOM 410 C ARG A 30 -7.620 -10.056 7.443 1.00 0.00 C ATOM 411 O ARG A 30 -7.513 -11.066 8.137 1.00 0.00 O ATOM 412 CB ARG A 30 -7.148 -7.773 8.350 1.00 0.00 C ATOM 413 CG ARG A 30 -7.660 -8.186 9.720 1.00 0.00 C ATOM 414 CD ARG A 30 -7.955 -6.976 10.593 1.00 0.00 C ATOM 415 NE ARG A 30 -7.956 -7.313 12.014 1.00 0.00 N ATOM 416 CZ ARG A 30 -7.747 -6.426 12.980 1.00 0.00 C ATOM 417 NH1 ARG A 30 -7.521 -5.155 12.680 1.00 0.00 N ATOM 418 NH2 ARG A 30 -7.764 -6.810 14.250 1.00 0.00 N ATOM 0 H ARG A 30 -6.411 -7.496 6.015 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.695 -9.322 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.371 -7.019 8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.960 -7.305 7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.565 -8.783 9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.920 -8.818 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.210 -6.203 10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.924 -6.559 10.319 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.127 -8.283 12.279 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.507 -4.856 11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.361 -4.476 13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.938 -7.787 14.485 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.603 -6.128 14.991 1.00 0.00 H new ATOM 432 N GLU A 31 -8.620 -9.867 6.587 1.00 0.00 N ATOM 433 CA GLU A 31 -9.672 -10.861 6.412 1.00 0.00 C ATOM 434 C GLU A 31 -9.146 -12.084 5.666 1.00 0.00 C ATOM 435 O GLU A 31 -9.535 -13.217 5.955 1.00 0.00 O ATOM 436 CB GLU A 31 -10.854 -10.256 5.652 1.00 0.00 C ATOM 437 CG GLU A 31 -10.511 -9.824 4.236 1.00 0.00 C ATOM 438 CD GLU A 31 -11.742 -9.608 3.378 1.00 0.00 C ATOM 439 OE1 GLU A 31 -12.480 -10.588 3.143 1.00 0.00 O ATOM 440 OE2 GLU A 31 -11.968 -8.460 2.941 1.00 0.00 O ATOM 0 H GLU A 31 -8.723 -9.036 6.005 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.007 -11.176 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.663 -10.986 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.228 -9.394 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.931 -8.902 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.878 -10.581 3.773 1.00 0.00 H new ATOM 447 N LEU A 32 -8.260 -11.848 4.704 1.00 0.00 N ATOM 448 CA LEU A 32 -7.681 -12.929 3.915 1.00 0.00 C ATOM 449 C LEU A 32 -7.041 -13.979 4.818 1.00 0.00 C ATOM 450 O LEU A 32 -7.293 -15.176 4.673 1.00 0.00 O ATOM 451 CB LEU A 32 -6.639 -12.375 2.941 1.00 0.00 C ATOM 452 CG LEU A 32 -7.175 -11.880 1.597 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.082 -11.164 0.819 1.00 0.00 C ATOM 454 CD2 LEU A 32 -7.737 -13.039 0.787 1.00 0.00 C ATOM 0 H LEU A 32 -7.927 -10.917 4.452 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.483 -13.402 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.118 -11.551 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.899 -13.152 2.751 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.981 -11.172 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.481 -10.818 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.726 -10.309 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.254 -11.850 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.114 -12.668 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.950 -13.771 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.550 -13.509 1.340 1.00 0.00 H new ATOM 466 N LYS A 33 -6.212 -13.524 5.752 1.00 0.00 N ATOM 467 CA LYS A 33 -5.538 -14.422 6.681 1.00 0.00 C ATOM 468 C LYS A 33 -6.539 -15.080 7.625 1.00 0.00 C ATOM 469 O LYS A 33 -6.434 -16.268 7.927 1.00 0.00 O ATOM 470 CB LYS A 33 -4.486 -13.658 7.489 1.00 0.00 C ATOM 471 CG LYS A 33 -3.404 -13.024 6.632 1.00 0.00 C ATOM 472 CD LYS A 33 -2.188 -12.644 7.460 1.00 0.00 C ATOM 473 CE LYS A 33 -0.919 -12.651 6.622 1.00 0.00 C ATOM 474 NZ LYS A 33 -0.279 -13.995 6.596 1.00 0.00 N ATOM 0 H LYS A 33 -5.991 -12.537 5.885 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.046 -15.202 6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.981 -12.879 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.021 -14.340 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.107 -13.719 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.802 -12.137 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.335 -11.654 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.080 -13.341 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.154 -12.341 5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.215 -11.921 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.583 -13.958 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.031 -14.280 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.941 -14.687 6.190 1.00 0.00 H new ATOM 488 N ALA A 34 -7.511 -14.300 8.087 1.00 0.00 N ATOM 489 CA ALA A 34 -8.534 -14.808 8.993 1.00 0.00 C ATOM 490 C ALA A 34 -9.371 -15.893 8.324 1.00 0.00 C ATOM 491 O ALA A 34 -9.940 -16.752 8.996 1.00 0.00 O ATOM 492 CB ALA A 34 -9.425 -13.672 9.474 1.00 0.00 C ATOM 0 H ALA A 34 -7.611 -13.313 7.849 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.033 -15.252 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.184 -14.066 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.820 -12.933 9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.910 -13.202 8.618 1.00 0.00 H new ATOM 498 N GLN A 35 -9.441 -15.846 6.998 1.00 0.00 N ATOM 499 CA GLN A 35 -10.210 -16.824 6.239 1.00 0.00 C ATOM 500 C GLN A 35 -9.322 -17.973 5.773 1.00 0.00 C ATOM 501 O GLN A 35 -9.604 -18.623 4.767 1.00 0.00 O ATOM 502 CB GLN A 35 -10.875 -16.158 5.033 1.00 0.00 C ATOM 503 CG GLN A 35 -11.975 -15.179 5.409 1.00 0.00 C ATOM 504 CD GLN A 35 -12.834 -14.782 4.224 1.00 0.00 C ATOM 505 OE1 GLN A 35 -13.531 -15.614 3.642 1.00 0.00 O ATOM 506 NE2 GLN A 35 -12.789 -13.506 3.861 1.00 0.00 N ATOM 0 H GLN A 35 -8.974 -15.141 6.427 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.982 -17.228 6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.115 -15.633 4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.292 -16.930 4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.606 -15.626 6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.528 -14.285 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.197 -12.851 4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.346 -13.181 3.071 1.00 0.00 H new ATOM 515 N LYS A 36 -8.245 -18.219 6.513 1.00 0.00 N ATOM 516 CA LYS A 36 -7.314 -19.290 6.178 1.00 0.00 C ATOM 517 C LYS A 36 -7.051 -19.332 4.676 1.00 0.00 C ATOM 518 O LYS A 36 -6.883 -20.404 4.095 1.00 0.00 O ATOM 519 CB LYS A 36 -7.865 -20.638 6.648 1.00 0.00 C ATOM 520 CG LYS A 36 -8.158 -20.689 8.137 1.00 0.00 C ATOM 521 CD LYS A 36 -8.950 -21.932 8.507 1.00 0.00 C ATOM 522 CE LYS A 36 -9.659 -21.765 9.842 1.00 0.00 C ATOM 523 NZ LYS A 36 -8.721 -21.909 10.990 1.00 0.00 N ATOM 0 H LYS A 36 -7.996 -17.690 7.349 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.372 -19.092 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.780 -20.859 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.148 -21.421 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.221 -20.674 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.717 -19.800 8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.683 -22.143 7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.280 -22.791 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.133 -20.784 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.453 -22.507 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.243 -21.789 11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.287 -22.854 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.977 -21.185 10.924 1.00 0.00 H new ATOM 537 N ALA A 37 -7.015 -18.158 4.053 1.00 0.00 N ATOM 538 CA ALA A 37 -6.768 -18.061 2.620 1.00 0.00 C ATOM 539 C ALA A 37 -5.403 -18.636 2.257 1.00 0.00 C ATOM 540 O ALA A 37 -4.482 -18.635 3.074 1.00 0.00 O ATOM 541 CB ALA A 37 -6.871 -16.614 2.163 1.00 0.00 C ATOM 0 H ALA A 37 -7.154 -17.261 4.519 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.529 -18.648 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.684 -16.557 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.870 -16.235 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.133 -16.012 2.692 1.00 0.00 H new ATOM 547 N ASP A 38 -5.281 -19.128 1.029 1.00 0.00 N ATOM 548 CA ASP A 38 -4.027 -19.706 0.559 1.00 0.00 C ATOM 549 C ASP A 38 -2.905 -18.673 0.594 1.00 0.00 C ATOM 550 O ASP A 38 -3.106 -17.510 0.244 1.00 0.00 O ATOM 551 CB ASP A 38 -4.193 -20.249 -0.861 1.00 0.00 C ATOM 552 CG ASP A 38 -3.055 -21.166 -1.267 1.00 0.00 C ATOM 553 OD1 ASP A 38 -1.959 -21.046 -0.681 1.00 0.00 O ATOM 554 OD2 ASP A 38 -3.262 -22.003 -2.170 1.00 0.00 O ATOM 0 H ASP A 38 -6.034 -19.138 0.341 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.761 -20.527 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.136 -20.792 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.252 -19.416 -1.561 1.00 0.00 H new ATOM 559 N LYS A 39 -1.723 -19.106 1.020 1.00 0.00 N ATOM 560 CA LYS A 39 -0.568 -18.220 1.102 1.00 0.00 C ATOM 561 C LYS A 39 -0.422 -17.397 -0.174 1.00 0.00 C ATOM 562 O LYS A 39 -0.213 -16.186 -0.121 1.00 0.00 O ATOM 563 CB LYS A 39 0.706 -19.031 1.347 1.00 0.00 C ATOM 564 CG LYS A 39 1.951 -18.176 1.505 1.00 0.00 C ATOM 565 CD LYS A 39 3.042 -18.913 2.264 1.00 0.00 C ATOM 566 CE LYS A 39 3.862 -19.800 1.340 1.00 0.00 C ATOM 567 NZ LYS A 39 3.051 -20.913 0.774 1.00 0.00 N ATOM 0 H LYS A 39 -1.540 -20.065 1.314 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.723 -17.538 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.575 -19.636 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.853 -19.721 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.322 -17.887 0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.697 -17.256 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.697 -18.192 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.593 -19.521 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.270 -19.199 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.709 -20.211 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.657 -21.745 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.284 -21.154 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.644 -20.618 -0.136 1.00 0.00 H new ATOM 581 N ASN A 40 -0.535 -18.063 -1.318 1.00 0.00 N ATOM 582 CA ASN A 40 -0.417 -17.392 -2.608 1.00 0.00 C ATOM 583 C ASN A 40 -1.453 -16.280 -2.740 1.00 0.00 C ATOM 584 O ASN A 40 -1.113 -15.131 -3.019 1.00 0.00 O ATOM 585 CB ASN A 40 -0.585 -18.398 -3.747 1.00 0.00 C ATOM 586 CG ASN A 40 0.088 -19.725 -3.452 1.00 0.00 C ATOM 587 OD1 ASN A 40 1.001 -19.800 -2.629 1.00 0.00 O ATOM 588 ND2 ASN A 40 -0.361 -20.779 -4.123 1.00 0.00 N ATOM 0 H ASN A 40 -0.708 -19.066 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 40 0.577 -16.948 -2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.647 -18.565 -3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.169 -17.978 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.053 -21.698 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.120 -20.670 -4.796 1.00 0.00 H new ATOM 595 N GLU A 41 -2.719 -16.631 -2.535 1.00 0.00 N ATOM 596 CA GLU A 41 -3.805 -15.662 -2.632 1.00 0.00 C ATOM 597 C GLU A 41 -3.551 -14.467 -1.717 1.00 0.00 C ATOM 598 O GLU A 41 -3.714 -13.316 -2.122 1.00 0.00 O ATOM 599 CB GLU A 41 -5.138 -16.320 -2.271 1.00 0.00 C ATOM 600 CG GLU A 41 -5.479 -17.521 -3.137 1.00 0.00 C ATOM 601 CD GLU A 41 -6.264 -17.142 -4.377 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.911 -16.074 -4.368 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.232 -17.914 -5.358 1.00 0.00 O ATOM 0 H GLU A 41 -3.018 -17.578 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.850 -15.306 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.108 -16.632 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.934 -15.581 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.558 -18.023 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.057 -18.235 -2.550 1.00 0.00 H new ATOM 610 N VAL A 42 -3.150 -14.750 -0.482 1.00 0.00 N ATOM 611 CA VAL A 42 -2.873 -13.699 0.491 1.00 0.00 C ATOM 612 C VAL A 42 -1.703 -12.831 0.043 1.00 0.00 C ATOM 613 O VAL A 42 -1.851 -11.625 -0.154 1.00 0.00 O ATOM 614 CB VAL A 42 -2.559 -14.289 1.879 1.00 0.00 C ATOM 615 CG1 VAL A 42 -2.328 -13.177 2.891 1.00 0.00 C ATOM 616 CG2 VAL A 42 -3.681 -15.210 2.332 1.00 0.00 C ATOM 0 H VAL A 42 -3.010 -15.697 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.771 -13.085 0.560 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.644 -14.878 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.108 -13.612 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.488 -12.562 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.223 -12.559 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.443 -15.618 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.613 -14.647 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.793 -16.026 1.618 1.00 0.00 H new ATOM 626 N ALA A 43 -0.539 -13.452 -0.117 1.00 0.00 N ATOM 627 CA ALA A 43 0.657 -12.736 -0.544 1.00 0.00 C ATOM 628 C ALA A 43 0.333 -11.738 -1.650 1.00 0.00 C ATOM 629 O ALA A 43 0.717 -10.571 -1.578 1.00 0.00 O ATOM 630 CB ALA A 43 1.721 -13.718 -1.012 1.00 0.00 C ATOM 0 H ALA A 43 -0.399 -14.450 0.043 1.00 0.00 H new ATOM 0 HA ALA A 43 1.042 -12.180 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.608 -13.170 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.981 -14.389 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.336 -14.299 -1.850 1.00 0.00 H new ATOM 636 N ALA A 44 -0.375 -12.205 -2.674 1.00 0.00 N ATOM 637 CA ALA A 44 -0.751 -11.352 -3.795 1.00 0.00 C ATOM 638 C ALA A 44 -1.095 -9.944 -3.322 1.00 0.00 C ATOM 639 O ALA A 44 -0.464 -8.971 -3.731 1.00 0.00 O ATOM 640 CB ALA A 44 -1.924 -11.960 -4.549 1.00 0.00 C ATOM 0 H ALA A 44 -0.699 -13.169 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 44 0.103 -11.281 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.195 -11.313 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.643 -12.943 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.776 -12.060 -3.877 1.00 0.00 H new ATOM 646 N GLU A 45 -2.101 -9.844 -2.458 1.00 0.00 N ATOM 647 CA GLU A 45 -2.529 -8.554 -1.931 1.00 0.00 C ATOM 648 C GLU A 45 -1.442 -7.935 -1.057 1.00 0.00 C ATOM 649 O GLU A 45 -1.112 -6.757 -1.198 1.00 0.00 O ATOM 650 CB GLU A 45 -3.820 -8.710 -1.125 1.00 0.00 C ATOM 651 CG GLU A 45 -4.972 -9.291 -1.927 1.00 0.00 C ATOM 652 CD GLU A 45 -5.420 -8.377 -3.051 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.613 -8.131 -3.972 1.00 0.00 O ATOM 654 OE2 GLU A 45 -6.576 -7.908 -3.010 1.00 0.00 O ATOM 0 H GLU A 45 -2.634 -10.640 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.714 -7.889 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.626 -9.352 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.115 -7.736 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.671 -10.252 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.814 -9.481 -1.261 1.00 0.00 H new ATOM 661 N VAL A 46 -0.889 -8.738 -0.153 1.00 0.00 N ATOM 662 CA VAL A 46 0.161 -8.271 0.744 1.00 0.00 C ATOM 663 C VAL A 46 1.198 -7.444 -0.007 1.00 0.00 C ATOM 664 O VAL A 46 1.531 -6.330 0.397 1.00 0.00 O ATOM 665 CB VAL A 46 0.867 -9.448 1.443 1.00 0.00 C ATOM 666 CG1 VAL A 46 1.991 -8.943 2.334 1.00 0.00 C ATOM 667 CG2 VAL A 46 -0.132 -10.268 2.244 1.00 0.00 C ATOM 0 H VAL A 46 -1.151 -9.715 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.321 -7.647 1.497 1.00 0.00 H new ATOM 0 HB VAL A 46 1.303 -10.093 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.478 -9.789 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.719 -8.402 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.582 -8.275 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.384 -11.095 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.599 -9.636 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.898 -10.661 1.576 1.00 0.00 H new ATOM 677 N ALA A 47 1.705 -7.996 -1.105 1.00 0.00 N ATOM 678 CA ALA A 47 2.703 -7.309 -1.915 1.00 0.00 C ATOM 679 C ALA A 47 2.252 -5.893 -2.257 1.00 0.00 C ATOM 680 O ALA A 47 2.992 -4.929 -2.058 1.00 0.00 O ATOM 681 CB ALA A 47 2.985 -8.097 -3.185 1.00 0.00 C ATOM 0 H ALA A 47 1.441 -8.917 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 47 3.622 -7.239 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.732 -7.572 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.359 -9.087 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.066 -8.197 -3.762 1.00 0.00 H new ATOM 687 N LYS A 48 1.033 -5.774 -2.773 1.00 0.00 N ATOM 688 CA LYS A 48 0.482 -4.476 -3.143 1.00 0.00 C ATOM 689 C LYS A 48 0.484 -3.524 -1.951 1.00 0.00 C ATOM 690 O LYS A 48 1.132 -2.477 -1.980 1.00 0.00 O ATOM 691 CB LYS A 48 -0.943 -4.637 -3.677 1.00 0.00 C ATOM 692 CG LYS A 48 -1.500 -3.376 -4.314 1.00 0.00 C ATOM 693 CD LYS A 48 -3.016 -3.423 -4.410 1.00 0.00 C ATOM 694 CE LYS A 48 -3.472 -4.141 -5.671 1.00 0.00 C ATOM 695 NZ LYS A 48 -4.908 -4.529 -5.599 1.00 0.00 N ATOM 0 H LYS A 48 0.408 -6.562 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 48 1.111 -4.052 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.958 -5.442 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.597 -4.940 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.198 -2.508 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.075 -3.252 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.422 -3.930 -3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.414 -2.408 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.313 -3.495 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.862 -5.032 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.181 -5.016 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.055 -5.166 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.492 -3.677 -5.480 1.00 0.00 H new ATOM 709 N LEU A 49 -0.242 -3.895 -0.902 1.00 0.00 N ATOM 710 CA LEU A 49 -0.323 -3.075 0.302 1.00 0.00 C ATOM 711 C LEU A 49 1.040 -2.485 0.651 1.00 0.00 C ATOM 712 O LEU A 49 1.157 -1.292 0.936 1.00 0.00 O ATOM 713 CB LEU A 49 -0.847 -3.906 1.474 1.00 0.00 C ATOM 714 CG LEU A 49 -1.007 -3.166 2.803 1.00 0.00 C ATOM 715 CD1 LEU A 49 -2.142 -2.158 2.720 1.00 0.00 C ATOM 716 CD2 LEU A 49 -1.248 -4.151 3.937 1.00 0.00 C ATOM 0 H LEU A 49 -0.783 -4.759 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.015 -2.255 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.815 -4.322 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.171 -4.747 1.628 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.083 -2.625 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.240 -1.642 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.928 -1.432 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.073 -2.676 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.359 -3.606 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.156 -4.720 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.401 -4.833 4.012 1.00 0.00 H new ATOM 728 N LEU A 50 2.067 -3.327 0.625 1.00 0.00 N ATOM 729 CA LEU A 50 3.423 -2.888 0.937 1.00 0.00 C ATOM 730 C LEU A 50 3.802 -1.661 0.114 1.00 0.00 C ATOM 731 O LEU A 50 4.453 -0.743 0.612 1.00 0.00 O ATOM 732 CB LEU A 50 4.419 -4.020 0.675 1.00 0.00 C ATOM 733 CG LEU A 50 4.301 -5.242 1.586 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.179 -6.374 1.076 1.00 0.00 C ATOM 735 CD2 LEU A 50 4.672 -4.879 3.016 1.00 0.00 C ATOM 0 H LEU A 50 1.987 -4.317 0.391 1.00 0.00 H new ATOM 0 HA LEU A 50 3.457 -2.618 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.301 -4.349 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.428 -3.618 0.768 1.00 0.00 H new ATOM 0 HG LEU A 50 3.265 -5.581 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.082 -7.235 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.866 -6.652 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.219 -6.047 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.582 -5.761 3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.699 -4.515 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.001 -4.101 3.380 1.00 0.00 H new ATOM 747 N ASP A 51 3.388 -1.652 -1.149 1.00 0.00 N ATOM 748 CA ASP A 51 3.680 -0.536 -2.041 1.00 0.00 C ATOM 749 C ASP A 51 2.801 0.667 -1.714 1.00 0.00 C ATOM 750 O ASP A 51 3.300 1.764 -1.460 1.00 0.00 O ATOM 751 CB ASP A 51 3.474 -0.953 -3.498 1.00 0.00 C ATOM 752 CG ASP A 51 4.438 -2.040 -3.931 1.00 0.00 C ATOM 753 OD1 ASP A 51 5.516 -2.159 -3.312 1.00 0.00 O ATOM 754 OD2 ASP A 51 4.114 -2.772 -4.890 1.00 0.00 O ATOM 0 H ASP A 51 2.849 -2.405 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 51 4.722 -0.251 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.451 -1.305 -3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.598 -0.083 -4.143 1.00 0.00 H new ATOM 759 N LEU A 52 1.490 0.454 -1.721 1.00 0.00 N ATOM 760 CA LEU A 52 0.540 1.521 -1.426 1.00 0.00 C ATOM 761 C LEU A 52 0.972 2.310 -0.194 1.00 0.00 C ATOM 762 O LEU A 52 0.811 3.529 -0.136 1.00 0.00 O ATOM 763 CB LEU A 52 -0.859 0.940 -1.209 1.00 0.00 C ATOM 764 CG LEU A 52 -1.609 0.506 -2.469 1.00 0.00 C ATOM 765 CD1 LEU A 52 -2.558 -0.640 -2.157 1.00 0.00 C ATOM 766 CD2 LEU A 52 -2.367 1.681 -3.069 1.00 0.00 C ATOM 0 H LEU A 52 1.060 -0.448 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 52 0.517 2.199 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.774 0.079 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.463 1.684 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.880 0.158 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.083 -0.935 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.991 -1.488 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.282 -0.319 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.895 1.354 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.086 2.060 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.664 2.472 -3.330 1.00 0.00 H new ATOM 778 N LYS A 53 1.525 1.606 0.788 1.00 0.00 N ATOM 779 CA LYS A 53 1.985 2.240 2.018 1.00 0.00 C ATOM 780 C LYS A 53 2.946 3.384 1.714 1.00 0.00 C ATOM 781 O LYS A 53 2.872 4.450 2.326 1.00 0.00 O ATOM 782 CB LYS A 53 2.669 1.211 2.921 1.00 0.00 C ATOM 783 CG LYS A 53 1.701 0.257 3.599 1.00 0.00 C ATOM 784 CD LYS A 53 0.968 0.930 4.748 1.00 0.00 C ATOM 785 CE LYS A 53 -0.136 0.042 5.301 1.00 0.00 C ATOM 786 NZ LYS A 53 -1.256 0.840 5.873 1.00 0.00 N ATOM 0 H LYS A 53 1.665 0.596 0.756 1.00 0.00 H new ATOM 0 HA LYS A 53 1.116 2.647 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.379 0.634 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.244 1.735 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.978 -0.109 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.245 -0.611 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.676 1.170 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.541 1.873 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.517 -0.601 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.275 -0.611 6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.988 0.198 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.898 1.435 6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.665 1.445 5.132 1.00 0.00 H new ATOM 800 N LYS A 54 3.847 3.158 0.764 1.00 0.00 N ATOM 801 CA LYS A 54 4.822 4.170 0.376 1.00 0.00 C ATOM 802 C LYS A 54 4.180 5.232 -0.510 1.00 0.00 C ATOM 803 O LYS A 54 4.555 6.403 -0.462 1.00 0.00 O ATOM 804 CB LYS A 54 5.998 3.521 -0.357 1.00 0.00 C ATOM 805 CG LYS A 54 5.802 3.432 -1.861 1.00 0.00 C ATOM 806 CD LYS A 54 6.551 2.249 -2.451 1.00 0.00 C ATOM 807 CE LYS A 54 8.001 2.599 -2.748 1.00 0.00 C ATOM 808 NZ LYS A 54 8.893 1.412 -2.630 1.00 0.00 N ATOM 0 H LYS A 54 3.922 2.281 0.248 1.00 0.00 H new ATOM 0 HA LYS A 54 5.189 4.652 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.904 4.091 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.155 2.518 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.739 3.340 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.148 4.353 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.513 1.410 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.058 1.926 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.076 3.011 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.336 3.375 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.872 1.692 -2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.841 1.033 -1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.589 0.681 -3.305 1.00 0.00 H new ATOM 822 N GLN A 55 3.209 4.815 -1.318 1.00 0.00 N ATOM 823 CA GLN A 55 2.515 5.732 -2.214 1.00 0.00 C ATOM 824 C GLN A 55 1.727 6.772 -1.425 1.00 0.00 C ATOM 825 O GLN A 55 1.760 7.962 -1.742 1.00 0.00 O ATOM 826 CB GLN A 55 1.576 4.958 -3.141 1.00 0.00 C ATOM 827 CG GLN A 55 2.301 4.130 -4.189 1.00 0.00 C ATOM 828 CD GLN A 55 1.465 3.898 -5.432 1.00 0.00 C ATOM 829 OE1 GLN A 55 1.879 4.230 -6.543 1.00 0.00 O ATOM 830 NE2 GLN A 55 0.280 3.326 -5.251 1.00 0.00 N ATOM 0 H GLN A 55 2.886 3.849 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 55 3.263 6.249 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.948 4.300 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.912 5.662 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.227 4.634 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.579 3.168 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.023 3.067 -4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.327 3.146 -6.051 1.00 0.00 H new ATOM 839 N LEU A 56 1.020 6.317 -0.397 1.00 0.00 N ATOM 840 CA LEU A 56 0.222 7.208 0.438 1.00 0.00 C ATOM 841 C LEU A 56 1.108 8.229 1.146 1.00 0.00 C ATOM 842 O LEU A 56 0.961 9.435 0.950 1.00 0.00 O ATOM 843 CB LEU A 56 -0.570 6.402 1.468 1.00 0.00 C ATOM 844 CG LEU A 56 -1.831 7.069 2.017 1.00 0.00 C ATOM 845 CD1 LEU A 56 -1.473 8.313 2.816 1.00 0.00 C ATOM 846 CD2 LEU A 56 -2.787 7.417 0.885 1.00 0.00 C ATOM 0 H LEU A 56 0.983 5.336 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.474 7.743 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.853 5.452 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.089 6.173 2.305 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.330 6.365 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.383 8.774 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.828 8.037 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.951 9.021 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.679 7.891 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.297 8.102 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.070 6.507 0.355 1.00 0.00 H new ATOM 858 N ALA A 57 2.029 7.735 1.968 1.00 0.00 N ATOM 859 CA ALA A 57 2.941 8.604 2.701 1.00 0.00 C ATOM 860 C ALA A 57 3.455 9.733 1.816 1.00 0.00 C ATOM 861 O ALA A 57 3.217 10.909 2.091 1.00 0.00 O ATOM 862 CB ALA A 57 4.104 7.796 3.259 1.00 0.00 C ATOM 0 H ALA A 57 2.163 6.739 2.142 1.00 0.00 H new ATOM 0 HA ALA A 57 2.391 9.050 3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.778 8.457 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.724 7.029 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.645 7.323 2.439 1.00 0.00 H new ATOM 868 N VAL A 58 4.163 9.370 0.751 1.00 0.00 N ATOM 869 CA VAL A 58 4.711 10.353 -0.175 1.00 0.00 C ATOM 870 C VAL A 58 3.634 11.322 -0.649 1.00 0.00 C ATOM 871 O VAL A 58 3.801 12.538 -0.573 1.00 0.00 O ATOM 872 CB VAL A 58 5.351 9.674 -1.401 1.00 0.00 C ATOM 873 CG1 VAL A 58 5.793 10.715 -2.418 1.00 0.00 C ATOM 874 CG2 VAL A 58 6.521 8.801 -0.976 1.00 0.00 C ATOM 0 H VAL A 58 4.370 8.401 0.508 1.00 0.00 H new ATOM 0 HA VAL A 58 5.479 10.905 0.367 1.00 0.00 H new ATOM 0 HB VAL A 58 4.604 9.035 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.243 10.217 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.929 11.294 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.524 11.382 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.961 8.329 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.272 9.416 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.170 8.031 -0.289 1.00 0.00 H new ATOM 884 N ALA A 59 2.526 10.773 -1.138 1.00 0.00 N ATOM 885 CA ALA A 59 1.419 11.588 -1.622 1.00 0.00 C ATOM 886 C ALA A 59 1.177 12.784 -0.707 1.00 0.00 C ATOM 887 O ALA A 59 1.000 13.908 -1.174 1.00 0.00 O ATOM 888 CB ALA A 59 0.157 10.747 -1.741 1.00 0.00 C ATOM 0 H ALA A 59 2.372 9.767 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 59 1.683 11.967 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.662 11.369 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.329 9.929 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.102 10.339 -0.764 1.00 0.00 H new ATOM 894 N GLU A 60 1.169 12.532 0.598 1.00 0.00 N ATOM 895 CA GLU A 60 0.947 13.589 1.578 1.00 0.00 C ATOM 896 C GLU A 60 2.180 14.478 1.710 1.00 0.00 C ATOM 897 O GLU A 60 2.082 15.703 1.672 1.00 0.00 O ATOM 898 CB GLU A 60 0.591 12.986 2.939 1.00 0.00 C ATOM 899 CG GLU A 60 -0.724 12.225 2.943 1.00 0.00 C ATOM 900 CD GLU A 60 -1.028 11.593 4.287 1.00 0.00 C ATOM 901 OE1 GLU A 60 -0.288 10.673 4.693 1.00 0.00 O ATOM 902 OE2 GLU A 60 -2.008 12.020 4.934 1.00 0.00 O ATOM 0 H GLU A 60 1.314 11.606 1.001 1.00 0.00 H new ATOM 0 HA GLU A 60 0.115 14.202 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.391 12.314 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.541 13.785 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.533 12.904 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.692 11.448 2.179 1.00 0.00 H new ATOM 909 N GLY A 61 3.342 13.849 1.865 1.00 0.00 N ATOM 910 CA GLY A 61 4.578 14.597 2.000 1.00 0.00 C ATOM 911 C GLY A 61 5.512 13.991 3.029 1.00 0.00 C ATOM 912 O GLY A 61 6.721 14.220 2.991 1.00 0.00 O ATOM 0 H GLY A 61 3.449 12.835 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.082 14.637 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.348 15.624 2.282 1.00 0.00 H new ATOM 916 N LYS A 62 4.952 13.218 3.952 1.00 0.00 N ATOM 917 CA LYS A 62 5.742 12.577 4.997 1.00 0.00 C ATOM 918 C LYS A 62 6.501 11.375 4.444 1.00 0.00 C ATOM 919 O LYS A 62 6.084 10.738 3.476 1.00 0.00 O ATOM 920 CB LYS A 62 4.838 12.137 6.150 1.00 0.00 C ATOM 921 CG LYS A 62 3.904 10.995 5.790 1.00 0.00 C ATOM 922 CD LYS A 62 4.533 9.644 6.088 1.00 0.00 C ATOM 923 CE LYS A 62 4.223 9.185 7.505 1.00 0.00 C ATOM 924 NZ LYS A 62 5.269 8.266 8.032 1.00 0.00 N ATOM 0 H LYS A 62 3.953 13.020 3.998 1.00 0.00 H new ATOM 0 HA LYS A 62 6.466 13.302 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.460 11.835 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.245 12.989 6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.973 11.095 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.648 11.053 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.165 8.905 5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.613 9.706 5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.140 10.054 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.256 8.682 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.865 7.316 8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.062 8.220 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.612 8.619 8.948 1.00 0.00 H new ATOM 938 N PRO A 63 7.642 11.055 5.073 1.00 0.00 N ATOM 939 CA PRO A 63 8.482 9.926 4.662 1.00 0.00 C ATOM 940 C PRO A 63 7.828 8.580 4.955 1.00 0.00 C ATOM 941 O PRO A 63 7.301 8.342 6.042 1.00 0.00 O ATOM 942 CB PRO A 63 9.747 10.100 5.505 1.00 0.00 C ATOM 943 CG PRO A 63 9.301 10.862 6.705 1.00 0.00 C ATOM 944 CD PRO A 63 8.199 11.770 6.233 1.00 0.00 C ATOM 0 HA PRO A 63 8.666 9.925 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.173 9.136 5.784 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.517 10.642 4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.945 10.189 7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.124 11.436 7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.448 11.927 7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.579 12.753 5.955 1.00 0.00 H new ATOM 952 N PRO A 64 7.862 7.676 3.965 1.00 0.00 N ATOM 953 CA PRO A 64 7.277 6.338 4.093 1.00 0.00 C ATOM 954 C PRO A 64 8.060 5.454 5.058 1.00 0.00 C ATOM 955 O PRO A 64 8.913 5.936 5.802 1.00 0.00 O ATOM 956 CB PRO A 64 7.356 5.778 2.671 1.00 0.00 C ATOM 957 CG PRO A 64 8.484 6.515 2.036 1.00 0.00 C ATOM 958 CD PRO A 64 8.473 7.891 2.643 1.00 0.00 C ATOM 0 HA PRO A 64 6.265 6.372 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.539 4.704 2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.424 5.939 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.433 6.013 2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.358 6.564 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.479 8.301 2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.893 8.591 2.041 1.00 0.00 H new ATOM 966 N GLU A 65 7.764 4.158 5.040 1.00 0.00 N ATOM 967 CA GLU A 65 8.441 3.208 5.914 1.00 0.00 C ATOM 968 C GLU A 65 9.946 3.458 5.928 1.00 0.00 C ATOM 969 O GLU A 65 10.619 3.205 6.927 1.00 0.00 O ATOM 970 CB GLU A 65 8.156 1.774 5.464 1.00 0.00 C ATOM 971 CG GLU A 65 6.861 1.207 6.021 1.00 0.00 C ATOM 972 CD GLU A 65 6.431 -0.066 5.318 1.00 0.00 C ATOM 973 OE1 GLU A 65 7.104 -1.101 5.498 1.00 0.00 O ATOM 974 OE2 GLU A 65 5.419 -0.025 4.586 1.00 0.00 O ATOM 0 H GLU A 65 7.060 3.742 4.430 1.00 0.00 H new ATOM 0 HA GLU A 65 8.057 3.347 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.117 1.745 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.984 1.135 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.985 1.006 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.072 1.953 5.928 1.00 0.00 H new ATOM 981 N ALA A 66 10.467 3.957 4.812 1.00 0.00 N ATOM 982 CA ALA A 66 11.892 4.244 4.696 1.00 0.00 C ATOM 983 C ALA A 66 12.729 3.019 5.048 1.00 0.00 C ATOM 984 O ALA A 66 13.619 3.068 5.898 1.00 0.00 O ATOM 985 CB ALA A 66 12.269 5.417 5.588 1.00 0.00 C ATOM 0 H ALA A 66 9.924 4.171 3.975 1.00 0.00 H new ATOM 0 HA ALA A 66 12.101 4.509 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.336 5.620 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.703 6.299 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.039 5.174 6.625 1.00 0.00 H new ATOM 991 N PRO A 67 12.438 1.891 4.383 1.00 0.00 N ATOM 992 CA PRO A 67 13.153 0.631 4.609 1.00 0.00 C ATOM 993 C PRO A 67 14.589 0.679 4.098 1.00 0.00 C ATOM 994 O PRO A 67 15.098 1.743 3.746 1.00 0.00 O ATOM 995 CB PRO A 67 12.335 -0.389 3.813 1.00 0.00 C ATOM 996 CG PRO A 67 11.664 0.411 2.750 1.00 0.00 C ATOM 997 CD PRO A 67 11.390 1.759 3.357 1.00 0.00 C ATOM 0 HA PRO A 67 13.237 0.395 5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.974 -1.161 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.607 -0.894 4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.300 0.502 1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.739 -0.067 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.453 2.554 2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.392 1.808 3.793 1.00 0.00 H new ATOM 1005 N LYS A 68 15.237 -0.480 4.060 1.00 0.00 N ATOM 1006 CA LYS A 68 16.614 -0.571 3.590 1.00 0.00 C ATOM 1007 C LYS A 68 16.663 -0.994 2.125 1.00 0.00 C ATOM 1008 O LYS A 68 16.370 -2.141 1.790 1.00 0.00 O ATOM 1009 CB LYS A 68 17.402 -1.566 4.445 1.00 0.00 C ATOM 1010 CG LYS A 68 16.615 -2.814 4.806 1.00 0.00 C ATOM 1011 CD LYS A 68 17.509 -3.880 5.418 1.00 0.00 C ATOM 1012 CE LYS A 68 18.451 -4.477 4.384 1.00 0.00 C ATOM 1013 NZ LYS A 68 19.293 -5.561 4.962 1.00 0.00 N ATOM 0 H LYS A 68 14.831 -1.370 4.349 1.00 0.00 H new ATOM 0 HA LYS A 68 17.068 0.416 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.305 -1.858 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 68 17.722 -1.071 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.823 -2.555 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.132 -3.212 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.089 -3.446 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.893 -4.669 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.871 -4.873 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.093 -3.693 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.921 -5.942 4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.865 -5.178 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.681 -6.321 5.323 1.00 0.00 H new ATOM 1027 N GLY A 69 17.035 -0.060 1.256 1.00 0.00 N ATOM 1028 CA GLY A 69 17.116 -0.356 -0.163 1.00 0.00 C ATOM 1029 C GLY A 69 16.099 0.419 -0.976 1.00 0.00 C ATOM 1030 O GLY A 69 14.894 0.301 -0.753 1.00 0.00 O ATOM 0 H GLY A 69 17.282 0.897 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 18.118 -0.123 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.962 -1.424 -0.318 1.00 0.00 H new ATOM 1034 N LYS A 70 16.583 1.216 -1.922 1.00 0.00 N ATOM 1035 CA LYS A 70 15.709 2.015 -2.772 1.00 0.00 C ATOM 1036 C LYS A 70 15.119 1.168 -3.896 1.00 0.00 C ATOM 1037 O LYS A 70 15.736 0.204 -4.350 1.00 0.00 O ATOM 1038 CB LYS A 70 16.479 3.198 -3.363 1.00 0.00 C ATOM 1039 CG LYS A 70 15.583 4.306 -3.889 1.00 0.00 C ATOM 1040 CD LYS A 70 15.311 5.356 -2.826 1.00 0.00 C ATOM 1041 CE LYS A 70 14.437 4.806 -1.709 1.00 0.00 C ATOM 1042 NZ LYS A 70 15.249 4.215 -0.610 1.00 0.00 N ATOM 0 H LYS A 70 17.578 1.326 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 70 14.892 2.392 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.140 3.608 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.113 2.839 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.053 4.775 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.640 3.881 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.255 5.708 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.822 6.218 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.812 5.605 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.766 4.048 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.923 3.246 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.250 4.195 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.141 4.791 0.249 1.00 0.00 H new ATOM 1056 N LYS A 71 13.922 1.534 -4.341 1.00 0.00 N ATOM 1057 CA LYS A 71 13.250 0.810 -5.413 1.00 0.00 C ATOM 1058 C LYS A 71 12.631 1.776 -6.418 1.00 0.00 C ATOM 1059 O LYS A 71 12.111 2.828 -6.044 1.00 0.00 O ATOM 1060 CB LYS A 71 12.167 -0.106 -4.837 1.00 0.00 C ATOM 1061 CG LYS A 71 11.906 -1.343 -5.679 1.00 0.00 C ATOM 1062 CD LYS A 71 10.835 -1.089 -6.726 1.00 0.00 C ATOM 1063 CE LYS A 71 10.613 -2.312 -7.604 1.00 0.00 C ATOM 1064 NZ LYS A 71 9.443 -2.139 -8.509 1.00 0.00 N ATOM 0 H LYS A 71 13.397 2.328 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 71 13.994 0.204 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.460 -0.415 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.240 0.459 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.829 -1.652 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.597 -2.165 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.901 -0.818 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.125 -0.242 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.507 -2.500 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.459 -3.188 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.210 -3.050 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.626 -1.802 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.675 -1.444 -9.247 1.00 0.00 H new ATOM 1078 N LYS A 72 12.689 1.413 -7.694 1.00 0.00 N ATOM 1079 CA LYS A 72 12.132 2.246 -8.754 1.00 0.00 C ATOM 1080 C LYS A 72 11.115 1.467 -9.580 1.00 0.00 C ATOM 1081 O LYS A 72 11.122 0.235 -9.594 1.00 0.00 O ATOM 1082 CB LYS A 72 13.249 2.768 -9.660 1.00 0.00 C ATOM 1083 CG LYS A 72 14.008 3.946 -9.073 1.00 0.00 C ATOM 1084 CD LYS A 72 13.347 5.267 -9.427 1.00 0.00 C ATOM 1085 CE LYS A 72 12.083 5.494 -8.612 1.00 0.00 C ATOM 1086 NZ LYS A 72 11.707 6.934 -8.561 1.00 0.00 N ATOM 0 H LYS A 72 13.117 0.546 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 72 11.625 3.091 -8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.951 1.958 -9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.820 3.064 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.060 3.843 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.033 3.940 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.047 6.084 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.103 5.280 -10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.264 4.920 -9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.233 5.122 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.841 7.047 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.478 7.479 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.539 7.283 -9.526 1.00 0.00 H new ATOM 1100 N LYS A 73 10.240 2.191 -10.270 1.00 0.00 N ATOM 1101 CA LYS A 73 9.217 1.569 -11.102 1.00 0.00 C ATOM 1102 C LYS A 73 8.685 2.553 -12.138 1.00 0.00 C ATOM 1103 O LYS A 73 7.951 3.483 -11.805 1.00 0.00 O ATOM 1104 CB LYS A 73 8.067 1.055 -10.233 1.00 0.00 C ATOM 1105 CG LYS A 73 6.904 0.493 -11.034 1.00 0.00 C ATOM 1106 CD LYS A 73 5.659 0.341 -10.176 1.00 0.00 C ATOM 1107 CE LYS A 73 5.035 1.690 -9.856 1.00 0.00 C ATOM 1108 NZ LYS A 73 3.599 1.562 -9.483 1.00 0.00 N ATOM 0 H LYS A 73 10.219 3.211 -10.269 1.00 0.00 H new ATOM 0 HA LYS A 73 9.672 0.729 -11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.445 0.281 -9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.705 1.869 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.689 1.151 -11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.181 -0.476 -11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.932 -0.283 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.915 -0.172 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.582 2.159 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.129 2.348 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.210 2.503 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.072 1.138 -10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.511 0.955 -8.643 1.00 0.00 H new ATOM 1122 N SER A 74 9.060 2.342 -13.396 1.00 0.00 N ATOM 1123 CA SER A 74 8.622 3.212 -14.481 1.00 0.00 C ATOM 1124 C SER A 74 8.145 2.393 -15.676 1.00 0.00 C ATOM 1125 O SER A 74 8.637 1.294 -15.925 1.00 0.00 O ATOM 1126 CB SER A 74 9.760 4.143 -14.907 1.00 0.00 C ATOM 1127 OG SER A 74 9.331 5.046 -15.911 1.00 0.00 O ATOM 0 H SER A 74 9.666 1.576 -13.689 1.00 0.00 H new ATOM 0 HA SER A 74 7.787 3.812 -14.118 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.121 4.700 -14.043 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.598 3.552 -15.278 1.00 0.00 H new ATOM 0 HG SER A 74 10.075 5.631 -16.165 1.00 0.00 H new ATOM 1133 N GLY A 75 7.182 2.939 -16.413 1.00 0.00 N ATOM 1134 CA GLY A 75 6.653 2.246 -17.573 1.00 0.00 C ATOM 1135 C GLY A 75 5.804 3.146 -18.449 1.00 0.00 C ATOM 1136 O GLY A 75 6.303 3.821 -19.350 1.00 0.00 O ATOM 0 H GLY A 75 6.759 3.848 -16.227 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.479 1.846 -18.161 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.055 1.396 -17.243 1.00 0.00 H new ATOM 1140 N PRO A 76 4.489 3.162 -18.188 1.00 0.00 N ATOM 1141 CA PRO A 76 3.541 3.981 -18.949 1.00 0.00 C ATOM 1142 C PRO A 76 3.713 5.471 -18.676 1.00 0.00 C ATOM 1143 O PRO A 76 3.171 6.001 -17.706 1.00 0.00 O ATOM 1144 CB PRO A 76 2.176 3.500 -18.450 1.00 0.00 C ATOM 1145 CG PRO A 76 2.439 2.963 -17.086 1.00 0.00 C ATOM 1146 CD PRO A 76 3.825 2.382 -17.129 1.00 0.00 C ATOM 0 HA PRO A 76 3.680 3.871 -20.025 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.455 4.317 -18.422 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.763 2.733 -19.105 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.370 3.751 -16.336 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.705 2.203 -16.818 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.335 2.488 -16.172 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.808 1.318 -17.365 1.00 0.00 H new ATOM 1154 N SER A 77 4.469 6.143 -19.539 1.00 0.00 N ATOM 1155 CA SER A 77 4.714 7.572 -19.389 1.00 0.00 C ATOM 1156 C SER A 77 3.449 8.374 -19.678 1.00 0.00 C ATOM 1157 O SER A 77 2.997 9.162 -18.847 1.00 0.00 O ATOM 1158 CB SER A 77 5.840 8.019 -20.323 1.00 0.00 C ATOM 1159 OG SER A 77 6.416 9.236 -19.883 1.00 0.00 O ATOM 0 H SER A 77 4.922 5.720 -20.349 1.00 0.00 H new ATOM 0 HA SER A 77 5.013 7.758 -18.357 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.607 7.246 -20.369 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.451 8.142 -21.334 1.00 0.00 H new ATOM 0 HG SER A 77 7.134 9.499 -20.496 1.00 0.00 H new ATOM 1165 N SER A 78 2.883 8.167 -20.863 1.00 0.00 N ATOM 1166 CA SER A 78 1.672 8.873 -21.265 1.00 0.00 C ATOM 1167 C SER A 78 0.743 7.953 -22.051 1.00 0.00 C ATOM 1168 O SER A 78 1.191 7.020 -22.715 1.00 0.00 O ATOM 1169 CB SER A 78 2.028 10.099 -22.109 1.00 0.00 C ATOM 1170 OG SER A 78 2.611 9.718 -23.343 1.00 0.00 O ATOM 0 H SER A 78 3.244 7.516 -21.561 1.00 0.00 H new ATOM 0 HA SER A 78 1.154 9.199 -20.363 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.131 10.690 -22.294 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.720 10.735 -21.558 1.00 0.00 H new ATOM 0 HG SER A 78 2.827 10.519 -23.864 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.556 8.225 -21.969 1.00 0.00 N ATOM 1177 CA GLY A 79 -1.530 7.414 -22.676 1.00 0.00 C ATOM 1178 C GLY A 79 -1.299 7.407 -24.175 1.00 0.00 C ATOM 1179 O GLY A 79 -1.083 6.352 -24.771 1.00 0.00 O ATOM 0 H GLY A 79 -0.951 8.992 -21.426 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.489 6.392 -22.300 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.532 7.790 -22.467 1.00 0.00 H new TER 1183 GLY A 79