USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ -174:sc= -4.08! (180deg=-4.11!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 4 MET CE :methyl -113:sc= -2.77! (180deg=-5.51!) USER MOD Single : A 18 THR OG1 : rot -53:sc= -0.772 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 28 SER OG : rot 180:sc= -1.19 USER MOD Single : A 29 THR OG1 : rot 105:sc= -0.286 USER MOD Single : A 31 THR OG1 : rot 85:sc= 0.519 USER MOD Single : A 35 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 45 THR OG1 : rot 120:sc= -3.97! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 65 ASN : amide:sc= -3.73! C(o=-3.7!,f=-7.9!) USER MOD Single : A 68 THR OG1 : rot 120:sc= -0.0429 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -7.28! C(o=-7.3!,f=-7.4!) USER MOD Single : A 82 ASN : amide:sc= -1.03! K(o=-1!,f=-1.6) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.618 -0.149 9.150 1.00 0.00 N ATOM 2 CA GLY A 1 5.053 0.059 9.242 1.00 0.00 C ATOM 3 C GLY A 1 5.466 0.408 10.673 1.00 0.00 C ATOM 4 O GLY A 1 6.627 0.247 11.045 1.00 0.00 O ATOM 0 H1 GLY A 1 3.376 -0.483 8.195 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.325 -0.860 9.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.125 0.747 9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.576 -0.841 8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.352 0.862 8.568 1.00 0.00 H new ATOM 8 N SER A 2 4.492 0.881 11.437 1.00 0.00 N ATOM 9 CA SER A 2 4.739 1.254 12.819 1.00 0.00 C ATOM 10 C SER A 2 3.593 0.765 13.707 1.00 0.00 C ATOM 11 O SER A 2 2.582 0.274 13.207 1.00 0.00 O ATOM 12 CB SER A 2 4.909 2.768 12.958 1.00 0.00 C ATOM 13 OG SER A 2 5.921 3.274 12.091 1.00 0.00 O ATOM 0 H SER A 2 3.530 1.014 11.125 1.00 0.00 H new ATOM 0 HA SER A 2 5.666 0.780 13.141 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.962 3.261 12.737 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.161 3.011 13.990 1.00 0.00 H new ATOM 0 HG SER A 2 5.998 4.244 12.209 1.00 0.00 H new ATOM 19 N HIS A 3 3.789 0.916 15.009 1.00 0.00 N ATOM 20 CA HIS A 3 2.785 0.496 15.970 1.00 0.00 C ATOM 21 C HIS A 3 1.648 1.520 16.006 1.00 0.00 C ATOM 22 O HIS A 3 1.875 2.711 15.801 1.00 0.00 O ATOM 23 CB HIS A 3 3.414 0.260 17.345 1.00 0.00 C ATOM 24 CG HIS A 3 3.728 1.529 18.102 1.00 0.00 C ATOM 25 ND1 HIS A 3 3.175 1.822 19.336 1.00 0.00 N ATOM 26 CD2 HIS A 3 4.544 2.575 17.788 1.00 0.00 C ATOM 27 CE1 HIS A 3 3.643 2.995 19.737 1.00 0.00 C ATOM 28 NE2 HIS A 3 4.491 3.460 18.775 1.00 0.00 N ATOM 0 H HIS A 3 4.629 1.324 15.420 1.00 0.00 H new ATOM 0 HA HIS A 3 2.358 -0.458 15.661 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.737 -0.350 17.943 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.333 -0.313 17.220 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.134 2.668 16.888 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.397 3.495 20.662 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.001 4.343 18.809 1.00 0.00 H new ATOM 36 N MET A 4 0.451 1.018 16.268 1.00 0.00 N ATOM 37 CA MET A 4 -0.722 1.873 16.333 1.00 0.00 C ATOM 38 C MET A 4 -0.561 2.942 17.416 1.00 0.00 C ATOM 39 O MET A 4 -1.098 2.805 18.514 1.00 0.00 O ATOM 40 CB MET A 4 -1.958 1.024 16.634 1.00 0.00 C ATOM 41 CG MET A 4 -1.715 0.107 17.835 1.00 0.00 C ATOM 42 SD MET A 4 -2.736 0.615 19.208 1.00 0.00 S ATOM 43 CE MET A 4 -1.472 1.054 20.389 1.00 0.00 C ATOM 0 H MET A 4 0.268 0.029 16.438 1.00 0.00 H new ATOM 0 HA MET A 4 -0.839 2.371 15.371 1.00 0.00 H new ATOM 0 HB2 MET A 4 -2.810 1.674 16.835 1.00 0.00 H new ATOM 0 HB3 MET A 4 -2.213 0.425 15.760 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.940 -0.925 17.566 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.664 0.140 18.121 1.00 0.00 H new ATOM 0 HE1 MET A 4 -1.497 0.355 21.225 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.494 1.011 19.909 1.00 0.00 H new ATOM 0 HE3 MET A 4 -1.652 2.065 20.755 1.00 0.00 H new ATOM 53 N LEU A 5 0.181 3.984 17.069 1.00 0.00 N ATOM 54 CA LEU A 5 0.420 5.076 17.997 1.00 0.00 C ATOM 55 C LEU A 5 -0.828 5.957 18.072 1.00 0.00 C ATOM 56 O LEU A 5 -1.912 5.479 18.403 1.00 0.00 O ATOM 57 CB LEU A 5 1.689 5.838 17.613 1.00 0.00 C ATOM 58 CG LEU A 5 1.876 6.121 16.121 1.00 0.00 C ATOM 59 CD1 LEU A 5 0.540 6.455 15.455 1.00 0.00 C ATOM 60 CD2 LEU A 5 2.919 7.218 15.897 1.00 0.00 C ATOM 0 H LEU A 5 0.625 4.095 16.157 1.00 0.00 H new ATOM 0 HA LEU A 5 0.600 4.691 19.001 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.693 6.789 18.146 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.550 5.271 17.966 1.00 0.00 H new ATOM 0 HG LEU A 5 2.255 5.216 15.646 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.701 6.652 14.395 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.143 5.613 15.568 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.109 7.338 15.927 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.032 7.399 14.828 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.594 8.135 16.388 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.875 6.902 16.315 1.00 0.00 H new ATOM 72 N ARG A 6 -0.634 7.230 17.760 1.00 0.00 N ATOM 73 CA ARG A 6 -1.730 8.183 17.788 1.00 0.00 C ATOM 74 C ARG A 6 -2.468 8.183 16.447 1.00 0.00 C ATOM 75 O ARG A 6 -2.456 9.180 15.727 1.00 0.00 O ATOM 76 CB ARG A 6 -1.224 9.597 18.083 1.00 0.00 C ATOM 77 CG ARG A 6 -0.829 9.742 19.554 1.00 0.00 C ATOM 78 CD ARG A 6 -2.000 10.267 20.386 1.00 0.00 C ATOM 79 NE ARG A 6 -1.744 10.031 21.825 1.00 0.00 N ATOM 80 CZ ARG A 6 -2.013 8.871 22.461 1.00 0.00 C ATOM 81 NH1 ARG A 6 -2.549 7.830 21.790 1.00 0.00 N ATOM 82 NH2 ARG A 6 -1.744 8.771 23.750 1.00 0.00 N ATOM 0 H ARG A 6 0.266 7.624 17.486 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.412 7.880 18.583 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.366 9.820 17.449 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.999 10.323 17.838 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.505 8.777 19.944 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.018 10.422 19.642 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.138 11.333 20.203 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.922 9.770 20.086 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.339 10.792 22.370 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.754 7.916 20.795 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.749 6.957 22.278 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.339 9.563 24.249 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.941 7.902 24.246 1.00 0.00 H new ATOM 95 N ASP A 7 -3.094 7.052 16.153 1.00 0.00 N ATOM 96 CA ASP A 7 -3.836 6.909 14.912 1.00 0.00 C ATOM 97 C ASP A 7 -4.555 8.222 14.598 1.00 0.00 C ATOM 98 O ASP A 7 -4.774 8.551 13.433 1.00 0.00 O ATOM 99 CB ASP A 7 -4.891 5.807 15.026 1.00 0.00 C ATOM 100 CG ASP A 7 -6.124 6.176 15.854 1.00 0.00 C ATOM 101 OD1 ASP A 7 -7.249 6.232 15.334 1.00 0.00 O ATOM 102 OD2 ASP A 7 -5.892 6.415 17.100 1.00 0.00 O ATOM 0 H ASP A 7 -3.102 6.227 16.753 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.129 6.651 14.124 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.215 5.530 14.023 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.427 4.924 15.466 1.00 0.00 H new ATOM 108 N ARG A 8 -4.902 8.938 15.658 1.00 0.00 N ATOM 109 CA ARG A 8 -5.592 10.208 15.509 1.00 0.00 C ATOM 110 C ARG A 8 -4.893 11.072 14.458 1.00 0.00 C ATOM 111 O ARG A 8 -5.501 11.978 13.890 1.00 0.00 O ATOM 112 CB ARG A 8 -5.638 10.968 16.837 1.00 0.00 C ATOM 113 CG ARG A 8 -7.044 11.503 17.114 1.00 0.00 C ATOM 114 CD ARG A 8 -7.104 12.211 18.469 1.00 0.00 C ATOM 115 NE ARG A 8 -7.173 13.676 18.272 1.00 0.00 N ATOM 116 CZ ARG A 8 -6.827 14.583 19.210 1.00 0.00 C ATOM 117 NH1 ARG A 8 -6.385 14.182 20.421 1.00 0.00 N ATOM 118 NH2 ARG A 8 -6.928 15.868 18.926 1.00 0.00 N ATOM 0 H ARG A 8 -4.718 8.663 16.623 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.612 9.996 15.189 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.330 10.309 17.648 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.929 11.795 16.811 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.335 12.196 16.324 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.760 10.681 17.097 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.975 11.870 19.029 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.225 11.956 19.061 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.503 14.022 17.371 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.310 13.187 20.633 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.126 14.874 21.124 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.263 16.163 18.009 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.671 16.566 19.624 1.00 0.00 H new ATOM 131 N LEU A 9 -3.624 10.763 14.232 1.00 0.00 N ATOM 132 CA LEU A 9 -2.836 11.500 13.260 1.00 0.00 C ATOM 133 C LEU A 9 -2.988 10.846 11.885 1.00 0.00 C ATOM 134 O LEU A 9 -2.101 10.955 11.040 1.00 0.00 O ATOM 135 CB LEU A 9 -1.384 11.618 13.727 1.00 0.00 C ATOM 136 CG LEU A 9 -1.102 12.699 14.773 1.00 0.00 C ATOM 137 CD1 LEU A 9 -0.914 14.066 14.113 1.00 0.00 C ATOM 138 CD2 LEU A 9 -2.195 12.724 15.843 1.00 0.00 C ATOM 0 H LEU A 9 -3.123 10.012 14.706 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.202 12.523 13.169 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.075 10.656 14.135 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.757 11.811 12.856 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.166 12.453 15.274 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.715 14.816 14.879 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.074 14.023 13.420 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.819 14.335 13.569 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.971 13.501 16.574 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.157 12.933 15.375 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.237 11.756 16.343 1.00 0.00 H new ATOM 150 N ALA A 10 -4.120 10.180 11.704 1.00 0.00 N ATOM 151 CA ALA A 10 -4.400 9.509 10.446 1.00 0.00 C ATOM 152 C ALA A 10 -4.767 10.550 9.387 1.00 0.00 C ATOM 153 O ALA A 10 -5.147 10.199 8.271 1.00 0.00 O ATOM 154 CB ALA A 10 -5.507 8.474 10.655 1.00 0.00 C ATOM 0 H ALA A 10 -4.853 10.091 12.407 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.518 8.976 10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.717 7.971 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.184 7.740 11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.409 8.973 11.009 1.00 0.00 H new ATOM 160 N GLY A 11 -4.641 11.811 9.775 1.00 0.00 N ATOM 161 CA GLY A 11 -4.955 12.906 8.873 1.00 0.00 C ATOM 162 C GLY A 11 -3.712 13.355 8.102 1.00 0.00 C ATOM 163 O GLY A 11 -3.797 14.214 7.226 1.00 0.00 O ATOM 0 H GLY A 11 -4.326 12.098 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.729 12.594 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.358 13.745 9.440 1.00 0.00 H new ATOM 167 N LEU A 12 -2.585 12.755 8.458 1.00 0.00 N ATOM 168 CA LEU A 12 -1.326 13.083 7.810 1.00 0.00 C ATOM 169 C LEU A 12 -1.521 13.078 6.293 1.00 0.00 C ATOM 170 O LEU A 12 -2.595 12.731 5.803 1.00 0.00 O ATOM 171 CB LEU A 12 -0.217 12.145 8.291 1.00 0.00 C ATOM 172 CG LEU A 12 0.858 12.776 9.178 1.00 0.00 C ATOM 173 CD1 LEU A 12 0.233 13.714 10.213 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.731 11.703 9.830 1.00 0.00 C ATOM 0 H LEU A 12 -2.518 12.044 9.186 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.005 14.087 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.676 11.323 8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.270 11.712 7.417 1.00 0.00 H new ATOM 0 HG LEU A 12 1.510 13.381 8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.018 14.149 10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.310 14.509 9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.455 13.152 10.844 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.487 12.179 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.109 11.052 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.220 11.112 9.056 1.00 0.00 H new ATOM 186 N PRO A 13 -0.439 13.477 5.573 1.00 0.00 N ATOM 187 CA PRO A 13 -0.481 13.522 4.121 1.00 0.00 C ATOM 188 C PRO A 13 -0.400 12.115 3.527 1.00 0.00 C ATOM 189 O PRO A 13 -0.120 11.151 4.238 1.00 0.00 O ATOM 190 CB PRO A 13 0.691 14.404 3.721 1.00 0.00 C ATOM 191 CG PRO A 13 1.616 14.441 4.926 1.00 0.00 C ATOM 192 CD PRO A 13 0.849 13.895 6.120 1.00 0.00 C ATOM 0 HA PRO A 13 -1.417 13.929 3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.203 14.000 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.353 15.406 3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.509 13.844 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.949 15.460 5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.375 13.058 6.579 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.724 14.655 6.891 1.00 0.00 H new ATOM 200 N ARG A 14 -0.650 12.041 2.228 1.00 0.00 N ATOM 201 CA ARG A 14 -0.609 10.767 1.529 1.00 0.00 C ATOM 202 C ARG A 14 0.555 9.917 2.043 1.00 0.00 C ATOM 203 O ARG A 14 0.448 8.695 2.122 1.00 0.00 O ATOM 204 CB ARG A 14 -0.457 10.971 0.021 1.00 0.00 C ATOM 205 CG ARG A 14 -1.343 9.995 -0.757 1.00 0.00 C ATOM 206 CD ARG A 14 -0.637 9.504 -2.023 1.00 0.00 C ATOM 207 NE ARG A 14 -0.061 8.161 -1.792 1.00 0.00 N ATOM 208 CZ ARG A 14 0.463 7.385 -2.765 1.00 0.00 C ATOM 209 NH1 ARG A 14 0.488 7.814 -4.045 1.00 0.00 N ATOM 210 NH2 ARG A 14 0.951 6.201 -2.446 1.00 0.00 N ATOM 0 H ARG A 14 -0.882 12.842 1.641 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.551 10.253 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.723 11.996 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.585 10.829 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.596 9.144 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.280 10.483 -1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.343 9.468 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.150 10.203 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.060 7.799 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.109 8.731 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.886 7.221 -4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.929 5.885 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.350 5.602 -3.169 1.00 0.00 H new ATOM 223 N ALA A 15 1.640 10.599 2.378 1.00 0.00 N ATOM 224 CA ALA A 15 2.823 9.922 2.881 1.00 0.00 C ATOM 225 C ALA A 15 2.431 9.026 4.057 1.00 0.00 C ATOM 226 O ALA A 15 2.148 7.843 3.874 1.00 0.00 O ATOM 227 CB ALA A 15 3.881 10.959 3.265 1.00 0.00 C ATOM 0 H ALA A 15 1.725 11.613 2.311 1.00 0.00 H new ATOM 0 HA ALA A 15 3.257 9.284 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.768 10.451 3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.146 11.550 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.483 11.616 4.038 1.00 0.00 H new ATOM 233 N GLU A 16 2.427 9.624 5.240 1.00 0.00 N ATOM 234 CA GLU A 16 2.074 8.895 6.446 1.00 0.00 C ATOM 235 C GLU A 16 0.669 8.301 6.315 1.00 0.00 C ATOM 236 O GLU A 16 0.394 7.227 6.849 1.00 0.00 O ATOM 237 CB GLU A 16 2.177 9.793 7.680 1.00 0.00 C ATOM 238 CG GLU A 16 3.022 9.132 8.770 1.00 0.00 C ATOM 239 CD GLU A 16 2.135 8.511 9.851 1.00 0.00 C ATOM 240 OE1 GLU A 16 0.969 8.184 9.583 1.00 0.00 O ATOM 241 OE2 GLU A 16 2.697 8.371 11.004 1.00 0.00 O ATOM 0 H GLU A 16 2.663 10.605 5.388 1.00 0.00 H new ATOM 0 HA GLU A 16 2.783 8.077 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.619 10.750 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.179 10.003 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.655 8.363 8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.685 9.871 9.219 1.00 0.00 H new ATOM 249 N ARG A 17 -0.181 9.026 5.604 1.00 0.00 N ATOM 250 CA ARG A 17 -1.550 8.585 5.397 1.00 0.00 C ATOM 251 C ARG A 17 -1.569 7.226 4.693 1.00 0.00 C ATOM 252 O ARG A 17 -2.205 6.286 5.168 1.00 0.00 O ATOM 253 CB ARG A 17 -2.334 9.596 4.558 1.00 0.00 C ATOM 254 CG ARG A 17 -3.755 9.098 4.286 1.00 0.00 C ATOM 255 CD ARG A 17 -4.650 9.300 5.511 1.00 0.00 C ATOM 256 NE ARG A 17 -5.324 8.029 5.859 1.00 0.00 N ATOM 257 CZ ARG A 17 -6.447 7.948 6.604 1.00 0.00 C ATOM 258 NH1 ARG A 17 -7.032 9.065 7.087 1.00 0.00 N ATOM 259 NH2 ARG A 17 -6.965 6.759 6.854 1.00 0.00 N ATOM 0 H ARG A 17 0.052 9.916 5.164 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.022 8.499 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.374 10.553 5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.818 9.768 3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.174 9.631 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.729 8.041 4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.053 9.648 6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.393 10.071 5.306 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.915 7.161 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.626 9.980 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.880 8.994 7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.517 5.920 6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.813 6.680 7.415 1.00 0.00 H new ATOM 272 N THR A 18 -0.864 7.165 3.573 1.00 0.00 N ATOM 273 CA THR A 18 -0.792 5.937 2.800 1.00 0.00 C ATOM 274 C THR A 18 -0.070 4.848 3.595 1.00 0.00 C ATOM 275 O THR A 18 -0.553 3.720 3.689 1.00 0.00 O ATOM 276 CB THR A 18 -0.121 6.259 1.463 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.979 7.230 0.869 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.161 5.080 0.489 1.00 0.00 C ATOM 0 H THR A 18 -0.337 7.946 3.182 1.00 0.00 H new ATOM 0 HA THR A 18 -1.786 5.540 2.594 1.00 0.00 H new ATOM 0 HB THR A 18 0.915 6.550 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.897 6.887 0.849 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.328 5.362 -0.443 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.358 4.228 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.198 4.809 0.288 1.00 0.00 H new ATOM 286 N ALA A 19 1.074 5.223 4.147 1.00 0.00 N ATOM 287 CA ALA A 19 1.867 4.292 4.932 1.00 0.00 C ATOM 288 C ALA A 19 1.076 3.874 6.173 1.00 0.00 C ATOM 289 O ALA A 19 1.387 2.863 6.800 1.00 0.00 O ATOM 290 CB ALA A 19 3.210 4.936 5.285 1.00 0.00 C ATOM 0 H ALA A 19 1.471 6.159 4.066 1.00 0.00 H new ATOM 0 HA ALA A 19 2.079 3.390 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.805 4.238 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.745 5.186 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.037 5.843 5.864 1.00 0.00 H new ATOM 296 N GLU A 20 0.069 4.674 6.490 1.00 0.00 N ATOM 297 CA GLU A 20 -0.769 4.401 7.645 1.00 0.00 C ATOM 298 C GLU A 20 -1.954 3.519 7.244 1.00 0.00 C ATOM 299 O GLU A 20 -2.293 2.570 7.950 1.00 0.00 O ATOM 300 CB GLU A 20 -1.248 5.700 8.296 1.00 0.00 C ATOM 301 CG GLU A 20 -2.213 5.413 9.448 1.00 0.00 C ATOM 302 CD GLU A 20 -1.553 5.696 10.799 1.00 0.00 C ATOM 303 OE1 GLU A 20 -0.532 6.397 10.855 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.140 5.160 11.815 1.00 0.00 O ATOM 0 H GLU A 20 -0.186 5.512 5.967 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.173 3.863 8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.391 6.263 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.741 6.324 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.107 6.027 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.535 4.372 9.407 1.00 0.00 H new ATOM 312 N LEU A 21 -2.551 3.864 6.113 1.00 0.00 N ATOM 313 CA LEU A 21 -3.691 3.116 5.610 1.00 0.00 C ATOM 314 C LEU A 21 -3.241 1.704 5.231 1.00 0.00 C ATOM 315 O LEU A 21 -4.036 0.766 5.266 1.00 0.00 O ATOM 316 CB LEU A 21 -4.366 3.874 4.465 1.00 0.00 C ATOM 317 CG LEU A 21 -5.596 4.703 4.842 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.835 5.823 3.828 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.827 3.811 5.012 1.00 0.00 C ATOM 0 H LEU A 21 -2.267 4.652 5.530 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.451 3.012 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.630 4.538 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.658 3.153 3.701 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.406 5.177 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.715 6.396 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.966 6.480 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.995 5.391 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.687 4.425 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.030 3.290 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.642 3.082 5.801 1.00 0.00 H new ATOM 331 N VAL A 22 -1.969 1.597 4.878 1.00 0.00 N ATOM 332 CA VAL A 22 -1.404 0.314 4.494 1.00 0.00 C ATOM 333 C VAL A 22 -1.347 -0.601 5.718 1.00 0.00 C ATOM 334 O VAL A 22 -2.013 -1.634 5.757 1.00 0.00 O ATOM 335 CB VAL A 22 -0.038 0.520 3.837 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.853 -0.710 4.027 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.188 0.864 2.354 1.00 0.00 C ATOM 0 H VAL A 22 -1.313 2.378 4.850 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.036 -0.175 3.753 1.00 0.00 H new ATOM 0 HB VAL A 22 0.446 1.364 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.818 -0.537 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.001 -0.891 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.375 -1.579 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.798 1.005 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.702 0.051 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.767 1.782 2.250 1.00 0.00 H new ATOM 347 N ARG A 23 -0.545 -0.188 6.689 1.00 0.00 N ATOM 348 CA ARG A 23 -0.392 -0.958 7.911 1.00 0.00 C ATOM 349 C ARG A 23 -1.758 -1.213 8.552 1.00 0.00 C ATOM 350 O ARG A 23 -1.991 -2.278 9.123 1.00 0.00 O ATOM 351 CB ARG A 23 0.505 -0.228 8.913 1.00 0.00 C ATOM 352 CG ARG A 23 0.790 -1.105 10.135 1.00 0.00 C ATOM 353 CD ARG A 23 -0.177 -0.784 11.277 1.00 0.00 C ATOM 354 NE ARG A 23 0.049 -1.713 12.406 1.00 0.00 N ATOM 355 CZ ARG A 23 -0.744 -1.786 13.496 1.00 0.00 C ATOM 356 NH1 ARG A 23 -1.824 -0.984 13.613 1.00 0.00 N ATOM 357 NH2 ARG A 23 -0.448 -2.653 14.447 1.00 0.00 N ATOM 0 H ARG A 23 0.005 0.670 6.654 1.00 0.00 H new ATOM 0 HA ARG A 23 0.073 -1.908 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.444 0.048 8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.024 0.698 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.700 -2.156 9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.816 -0.949 10.468 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.034 0.245 11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.206 -0.867 10.927 1.00 0.00 H new ATOM 0 HE ARG A 23 0.854 -2.337 12.358 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.046 -0.316 12.874 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.418 -1.046 14.440 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.370 -3.255 14.352 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.037 -2.721 15.277 1.00 0.00 H new ATOM 370 N LEU A 24 -2.625 -0.218 8.437 1.00 0.00 N ATOM 371 CA LEU A 24 -3.962 -0.322 8.997 1.00 0.00 C ATOM 372 C LEU A 24 -4.717 -1.454 8.298 1.00 0.00 C ATOM 373 O LEU A 24 -5.247 -2.349 8.954 1.00 0.00 O ATOM 374 CB LEU A 24 -4.677 1.029 8.930 1.00 0.00 C ATOM 375 CG LEU A 24 -6.205 0.977 8.878 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.819 2.191 9.577 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.701 0.833 7.438 1.00 0.00 C ATOM 0 H LEU A 24 -2.428 0.664 7.964 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.913 -0.578 10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.383 1.617 9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.321 1.563 8.049 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.535 0.092 9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.906 2.129 9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.505 2.207 10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.484 3.103 9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.790 0.799 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.361 1.685 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.306 -0.087 7.007 1.00 0.00 H new ATOM 389 N VAL A 25 -4.743 -1.377 6.976 1.00 0.00 N ATOM 390 CA VAL A 25 -5.425 -2.384 6.181 1.00 0.00 C ATOM 391 C VAL A 25 -4.943 -3.773 6.603 1.00 0.00 C ATOM 392 O VAL A 25 -5.744 -4.698 6.735 1.00 0.00 O ATOM 393 CB VAL A 25 -5.213 -2.105 4.691 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.215 -3.406 3.885 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.266 -1.130 4.161 1.00 0.00 C ATOM 0 H VAL A 25 -4.303 -0.633 6.435 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.500 -2.346 6.356 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.235 -1.638 4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.063 -3.180 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.412 -4.053 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.172 -3.912 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.093 -0.949 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.259 -1.557 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.197 -0.189 4.706 1.00 0.00 H new ATOM 405 N ARG A 26 -3.638 -3.876 6.805 1.00 0.00 N ATOM 406 CA ARG A 26 -3.041 -5.137 7.210 1.00 0.00 C ATOM 407 C ARG A 26 -3.706 -5.654 8.487 1.00 0.00 C ATOM 408 O ARG A 26 -4.287 -6.738 8.494 1.00 0.00 O ATOM 409 CB ARG A 26 -1.538 -4.982 7.453 1.00 0.00 C ATOM 410 CG ARG A 26 -0.813 -4.581 6.166 1.00 0.00 C ATOM 411 CD ARG A 26 0.612 -5.136 6.144 1.00 0.00 C ATOM 412 NE ARG A 26 1.552 -4.142 6.710 1.00 0.00 N ATOM 413 CZ ARG A 26 1.840 -4.037 8.025 1.00 0.00 C ATOM 414 NH1 ARG A 26 1.264 -4.865 8.921 1.00 0.00 N ATOM 415 NH2 ARG A 26 2.695 -3.111 8.420 1.00 0.00 N ATOM 0 H ARG A 26 -2.977 -3.107 6.696 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.195 -5.851 6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.366 -4.228 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.128 -5.920 7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.365 -4.952 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.785 -3.494 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.659 -6.061 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.900 -5.380 5.122 1.00 0.00 H new ATOM 0 HE ARG A 26 2.010 -3.497 6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.605 -5.577 8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.487 -4.779 9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.126 -2.490 7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.924 -3.017 9.409 1.00 0.00 H new ATOM 428 N THR A 27 -3.599 -4.853 9.537 1.00 0.00 N ATOM 429 CA THR A 27 -4.184 -5.216 10.817 1.00 0.00 C ATOM 430 C THR A 27 -5.704 -5.335 10.695 1.00 0.00 C ATOM 431 O THR A 27 -6.289 -6.325 11.131 1.00 0.00 O ATOM 432 CB THR A 27 -3.737 -4.180 11.851 1.00 0.00 C ATOM 433 OG1 THR A 27 -3.757 -2.947 11.138 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.272 -4.352 12.257 1.00 0.00 C ATOM 0 H THR A 27 -3.116 -3.955 9.528 1.00 0.00 H new ATOM 0 HA THR A 27 -3.839 -6.196 11.146 1.00 0.00 H new ATOM 0 HB THR A 27 -4.370 -4.254 12.736 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.482 -2.220 11.734 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.007 -3.592 12.992 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.128 -5.342 12.690 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.636 -4.245 11.378 1.00 0.00 H new ATOM 442 N SER A 28 -6.300 -4.313 10.099 1.00 0.00 N ATOM 443 CA SER A 28 -7.741 -4.291 9.914 1.00 0.00 C ATOM 444 C SER A 28 -8.215 -5.625 9.336 1.00 0.00 C ATOM 445 O SER A 28 -9.140 -6.241 9.863 1.00 0.00 O ATOM 446 CB SER A 28 -8.161 -3.137 9.001 1.00 0.00 C ATOM 447 OG SER A 28 -9.355 -3.434 8.282 1.00 0.00 O ATOM 0 H SER A 28 -5.811 -3.494 9.738 1.00 0.00 H new ATOM 0 HA SER A 28 -8.209 -4.138 10.887 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.312 -2.238 9.599 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.358 -2.921 8.297 1.00 0.00 H new ATOM 0 HG SER A 28 -9.591 -2.673 7.712 1.00 0.00 H new ATOM 453 N THR A 29 -7.558 -6.034 8.259 1.00 0.00 N ATOM 454 CA THR A 29 -7.901 -7.284 7.604 1.00 0.00 C ATOM 455 C THR A 29 -7.711 -8.460 8.564 1.00 0.00 C ATOM 456 O THR A 29 -8.666 -9.165 8.885 1.00 0.00 O ATOM 457 CB THR A 29 -7.059 -7.397 6.331 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.286 -6.164 5.654 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.595 -8.457 5.366 1.00 0.00 C ATOM 0 H THR A 29 -6.791 -5.521 7.825 1.00 0.00 H new ATOM 0 HA THR A 29 -8.953 -7.305 7.319 1.00 0.00 H new ATOM 0 HB THR A 29 -6.029 -7.637 6.597 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.500 -5.587 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.961 -8.496 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.593 -9.430 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.613 -8.201 5.073 1.00 0.00 H new ATOM 467 N ALA A 30 -6.471 -8.634 8.997 1.00 0.00 N ATOM 468 CA ALA A 30 -6.143 -9.712 9.915 1.00 0.00 C ATOM 469 C ALA A 30 -7.182 -9.755 11.037 1.00 0.00 C ATOM 470 O ALA A 30 -7.506 -10.826 11.548 1.00 0.00 O ATOM 471 CB ALA A 30 -4.721 -9.517 10.444 1.00 0.00 C ATOM 0 H ALA A 30 -5.681 -8.047 8.729 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.171 -10.674 9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.475 -10.325 11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.019 -9.524 9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.655 -8.563 10.966 1.00 0.00 H new ATOM 477 N THR A 31 -7.676 -8.576 11.387 1.00 0.00 N ATOM 478 CA THR A 31 -8.672 -8.465 12.440 1.00 0.00 C ATOM 479 C THR A 31 -10.021 -8.999 11.955 1.00 0.00 C ATOM 480 O THR A 31 -10.743 -9.650 12.710 1.00 0.00 O ATOM 481 CB THR A 31 -8.723 -7.004 12.890 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.531 -6.834 13.652 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.847 -6.739 13.893 1.00 0.00 C ATOM 0 H THR A 31 -7.405 -7.690 10.960 1.00 0.00 H new ATOM 0 HA THR A 31 -8.407 -9.076 13.302 1.00 0.00 H new ATOM 0 HB THR A 31 -8.854 -6.361 12.020 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.786 -6.622 13.051 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.838 -5.687 14.180 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.807 -6.983 13.437 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.698 -7.357 14.778 1.00 0.00 H new ATOM 491 N VAL A 32 -10.322 -8.704 10.699 1.00 0.00 N ATOM 492 CA VAL A 32 -11.572 -9.146 10.105 1.00 0.00 C ATOM 493 C VAL A 32 -11.678 -10.668 10.224 1.00 0.00 C ATOM 494 O VAL A 32 -12.762 -11.202 10.452 1.00 0.00 O ATOM 495 CB VAL A 32 -11.669 -8.651 8.660 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.853 -9.295 7.938 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.760 -7.124 8.609 1.00 0.00 C ATOM 0 H VAL A 32 -9.721 -8.164 10.076 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.421 -8.718 10.639 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.758 -8.950 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.899 -8.926 6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.728 -10.378 7.928 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.777 -9.041 8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.828 -6.798 7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.646 -6.794 9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.871 -6.691 9.068 1.00 0.00 H new ATOM 507 N LEU A 33 -10.537 -11.323 10.063 1.00 0.00 N ATOM 508 CA LEU A 33 -10.489 -12.772 10.149 1.00 0.00 C ATOM 509 C LEU A 33 -10.217 -13.184 11.598 1.00 0.00 C ATOM 510 O LEU A 33 -9.888 -14.337 11.868 1.00 0.00 O ATOM 511 CB LEU A 33 -9.475 -13.335 9.151 1.00 0.00 C ATOM 512 CG LEU A 33 -10.010 -13.633 7.749 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.581 -15.050 7.670 1.00 0.00 C ATOM 514 CD2 LEU A 33 -11.031 -12.579 7.315 1.00 0.00 C ATOM 0 H LEU A 33 -9.640 -10.877 9.874 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.451 -13.202 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.651 -12.627 9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.061 -14.255 9.564 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.177 -13.581 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.955 -15.236 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.799 -15.771 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.397 -15.154 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.395 -12.815 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.868 -12.573 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.559 -11.597 7.307 1.00 0.00 H new ATOM 526 N GLY A 34 -10.367 -12.217 12.492 1.00 0.00 N ATOM 527 CA GLY A 34 -10.142 -12.464 13.906 1.00 0.00 C ATOM 528 C GLY A 34 -8.669 -12.266 14.270 1.00 0.00 C ATOM 529 O GLY A 34 -8.355 -11.657 15.291 1.00 0.00 O ATOM 0 H GLY A 34 -10.642 -11.261 12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.761 -11.791 14.499 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.448 -13.480 14.155 1.00 0.00 H new ATOM 533 N HIS A 35 -7.805 -12.793 13.414 1.00 0.00 N ATOM 534 CA HIS A 35 -6.373 -12.681 13.633 1.00 0.00 C ATOM 535 C HIS A 35 -5.625 -13.163 12.388 1.00 0.00 C ATOM 536 O HIS A 35 -6.239 -13.444 11.360 1.00 0.00 O ATOM 537 CB HIS A 35 -5.957 -13.429 14.901 1.00 0.00 C ATOM 538 CG HIS A 35 -6.681 -14.738 15.107 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.709 -15.738 14.151 1.00 0.00 N ATOM 540 CD2 HIS A 35 -7.402 -15.201 16.169 1.00 0.00 C ATOM 541 CE1 HIS A 35 -7.418 -16.752 14.625 1.00 0.00 C ATOM 542 NE2 HIS A 35 -7.847 -16.416 15.876 1.00 0.00 N ATOM 0 H HIS A 35 -8.069 -13.298 12.568 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.106 -11.636 13.794 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.885 -13.621 14.862 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.135 -12.787 15.764 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.580 -14.669 17.092 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.621 -17.680 14.112 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.416 -17.003 16.486 1.00 0.00 H new ATOM 550 N ASP A 36 -4.309 -13.244 12.522 1.00 0.00 N ATOM 551 CA ASP A 36 -3.471 -13.687 11.421 1.00 0.00 C ATOM 552 C ASP A 36 -2.048 -13.163 11.626 1.00 0.00 C ATOM 553 O ASP A 36 -1.088 -13.756 11.138 1.00 0.00 O ATOM 554 CB ASP A 36 -3.986 -13.148 10.085 1.00 0.00 C ATOM 555 CG ASP A 36 -2.932 -13.043 8.981 1.00 0.00 C ATOM 556 OD1 ASP A 36 -2.730 -11.971 8.391 1.00 0.00 O ATOM 557 OD2 ASP A 36 -2.295 -14.136 8.730 1.00 0.00 O ATOM 0 H ASP A 36 -3.803 -13.010 13.376 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.489 -14.777 11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.792 -13.793 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.417 -12.161 10.250 1.00 0.00 H new ATOM 563 N ASP A 37 -1.958 -12.056 12.350 1.00 0.00 N ATOM 564 CA ASP A 37 -0.669 -11.445 12.626 1.00 0.00 C ATOM 565 C ASP A 37 -0.244 -10.599 11.425 1.00 0.00 C ATOM 566 O ASP A 37 -0.187 -11.094 10.300 1.00 0.00 O ATOM 567 CB ASP A 37 0.406 -12.509 12.859 1.00 0.00 C ATOM 568 CG ASP A 37 1.595 -12.051 13.706 1.00 0.00 C ATOM 569 OD1 ASP A 37 2.086 -12.793 14.571 1.00 0.00 O ATOM 570 OD2 ASP A 37 2.024 -10.863 13.447 1.00 0.00 O ATOM 0 H ASP A 37 -2.757 -11.567 12.754 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.770 -10.833 13.522 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.055 -13.370 13.342 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.777 -12.847 11.892 1.00 0.00 H new ATOM 576 N PRO A 38 0.052 -9.302 11.711 1.00 0.00 N ATOM 577 CA PRO A 38 0.470 -8.382 10.667 1.00 0.00 C ATOM 578 C PRO A 38 1.915 -8.654 10.243 1.00 0.00 C ATOM 579 O PRO A 38 2.349 -8.208 9.183 1.00 0.00 O ATOM 580 CB PRO A 38 0.277 -6.997 11.263 1.00 0.00 C ATOM 581 CG PRO A 38 0.201 -7.198 12.768 1.00 0.00 C ATOM 582 CD PRO A 38 -0.004 -8.681 13.031 1.00 0.00 C ATOM 0 HA PRO A 38 -0.112 -8.492 9.752 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.105 -6.339 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.633 -6.532 10.885 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.116 -6.849 13.246 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.620 -6.619 13.189 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.770 -9.077 13.688 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.962 -8.869 13.517 1.00 0.00 H new ATOM 590 N LYS A 39 2.620 -9.385 11.095 1.00 0.00 N ATOM 591 CA LYS A 39 4.007 -9.721 10.822 1.00 0.00 C ATOM 592 C LYS A 39 4.062 -10.782 9.720 1.00 0.00 C ATOM 593 O LYS A 39 5.134 -11.082 9.196 1.00 0.00 O ATOM 594 CB LYS A 39 4.722 -10.134 12.110 1.00 0.00 C ATOM 595 CG LYS A 39 5.077 -8.910 12.956 1.00 0.00 C ATOM 596 CD LYS A 39 6.052 -9.281 14.076 1.00 0.00 C ATOM 597 CE LYS A 39 5.725 -8.520 15.362 1.00 0.00 C ATOM 598 NZ LYS A 39 6.946 -7.897 15.919 1.00 0.00 N ATOM 0 H LYS A 39 2.257 -9.754 11.974 1.00 0.00 H new ATOM 0 HA LYS A 39 4.545 -8.848 10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.084 -10.805 12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.629 -10.687 11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.521 -8.142 12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.170 -8.484 13.385 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.006 -10.354 14.262 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.072 -9.055 13.765 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.979 -7.752 15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.290 -9.201 16.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.707 -7.384 16.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.646 -8.636 16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.344 -7.232 15.225 1.00 0.00 H new ATOM 611 N ALA A 40 2.895 -11.322 9.403 1.00 0.00 N ATOM 612 CA ALA A 40 2.797 -12.343 8.374 1.00 0.00 C ATOM 613 C ALA A 40 2.379 -11.692 7.054 1.00 0.00 C ATOM 614 O ALA A 40 2.581 -12.264 5.984 1.00 0.00 O ATOM 615 CB ALA A 40 1.817 -13.429 8.824 1.00 0.00 C ATOM 0 H ALA A 40 2.008 -11.072 9.841 1.00 0.00 H new ATOM 0 HA ALA A 40 3.763 -12.821 8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.743 -14.195 8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.174 -13.880 9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.835 -12.986 8.991 1.00 0.00 H new ATOM 621 N VAL A 41 1.805 -10.504 7.172 1.00 0.00 N ATOM 622 CA VAL A 41 1.358 -9.769 6.001 1.00 0.00 C ATOM 623 C VAL A 41 2.512 -8.919 5.466 1.00 0.00 C ATOM 624 O VAL A 41 3.089 -8.117 6.198 1.00 0.00 O ATOM 625 CB VAL A 41 0.116 -8.943 6.345 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.464 -8.279 5.094 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.936 -9.801 7.049 1.00 0.00 C ATOM 0 H VAL A 41 1.639 -10.032 8.061 1.00 0.00 H new ATOM 0 HA VAL A 41 1.066 -10.456 5.207 1.00 0.00 H new ATOM 0 HB VAL A 41 0.418 -8.154 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.345 -7.698 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.283 -7.619 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.743 -9.046 4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.808 -9.189 7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.233 -10.622 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.519 -10.204 7.972 1.00 0.00 H new ATOM 637 N ARG A 42 2.815 -9.124 4.193 1.00 0.00 N ATOM 638 CA ARG A 42 3.890 -8.387 3.551 1.00 0.00 C ATOM 639 C ARG A 42 3.320 -7.243 2.710 1.00 0.00 C ATOM 640 O ARG A 42 4.066 -6.525 2.046 1.00 0.00 O ATOM 641 CB ARG A 42 4.726 -9.302 2.654 1.00 0.00 C ATOM 642 CG ARG A 42 6.022 -9.719 3.352 1.00 0.00 C ATOM 643 CD ARG A 42 6.955 -10.452 2.385 1.00 0.00 C ATOM 644 NE ARG A 42 6.792 -11.915 2.537 1.00 0.00 N ATOM 645 CZ ARG A 42 7.176 -12.819 1.611 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.749 -12.417 0.457 1.00 0.00 N ATOM 647 NH2 ARG A 42 6.982 -14.103 1.852 1.00 0.00 N ATOM 0 H ARG A 42 2.335 -9.790 3.588 1.00 0.00 H new ATOM 0 HA ARG A 42 4.530 -7.983 4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.148 -10.188 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.960 -8.788 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.525 -8.838 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.791 -10.364 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.733 -10.158 1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.990 -10.171 2.581 1.00 0.00 H new ATOM 0 HE ARG A 42 6.363 -12.262 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.895 -11.423 0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.036 -13.107 -0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.548 -14.398 2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.266 -14.800 1.163 1.00 0.00 H new ATOM 660 N ALA A 43 2.004 -7.108 2.766 1.00 0.00 N ATOM 661 CA ALA A 43 1.326 -6.062 2.019 1.00 0.00 C ATOM 662 C ALA A 43 1.026 -6.565 0.605 1.00 0.00 C ATOM 663 O ALA A 43 -0.072 -6.361 0.089 1.00 0.00 O ATOM 664 CB ALA A 43 2.184 -4.796 2.018 1.00 0.00 C ATOM 0 H ALA A 43 1.388 -7.706 3.317 1.00 0.00 H new ATOM 0 HA ALA A 43 0.375 -5.810 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.675 -4.012 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.343 -4.464 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.146 -5.009 1.552 1.00 0.00 H new ATOM 670 N THR A 44 2.022 -7.212 0.018 1.00 0.00 N ATOM 671 CA THR A 44 1.879 -7.746 -1.326 1.00 0.00 C ATOM 672 C THR A 44 1.170 -9.101 -1.289 1.00 0.00 C ATOM 673 O THR A 44 1.092 -9.793 -2.303 1.00 0.00 O ATOM 674 CB THR A 44 3.270 -7.805 -1.961 1.00 0.00 C ATOM 675 OG1 THR A 44 4.135 -8.126 -0.875 1.00 0.00 O ATOM 676 CG2 THR A 44 3.757 -6.433 -2.433 1.00 0.00 C ATOM 0 H THR A 44 2.932 -7.379 0.448 1.00 0.00 H new ATOM 0 HA THR A 44 1.251 -7.103 -1.943 1.00 0.00 H new ATOM 0 HB THR A 44 3.254 -8.495 -2.805 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.058 -8.186 -1.199 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.748 -6.531 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.065 -6.037 -3.177 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.805 -5.752 -1.583 1.00 0.00 H new ATOM 684 N THR A 45 0.670 -9.440 -0.110 1.00 0.00 N ATOM 685 CA THR A 45 -0.030 -10.700 0.072 1.00 0.00 C ATOM 686 C THR A 45 -1.120 -10.862 -0.989 1.00 0.00 C ATOM 687 O THR A 45 -1.647 -9.875 -1.500 1.00 0.00 O ATOM 688 CB THR A 45 -0.567 -10.740 1.505 1.00 0.00 C ATOM 689 OG1 THR A 45 -0.650 -12.130 1.805 1.00 0.00 O ATOM 690 CG2 THR A 45 -2.013 -10.249 1.602 1.00 0.00 C ATOM 0 H THR A 45 0.736 -8.864 0.729 1.00 0.00 H new ATOM 0 HA THR A 45 0.641 -11.548 -0.063 1.00 0.00 H new ATOM 0 HB THR A 45 0.067 -10.129 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.079 -12.333 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.345 -10.298 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.072 -9.219 1.250 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.654 -10.880 0.986 1.00 0.00 H new ATOM 698 N PRO A 46 -1.433 -12.149 -1.299 1.00 0.00 N ATOM 699 CA PRO A 46 -2.450 -12.454 -2.290 1.00 0.00 C ATOM 700 C PRO A 46 -3.853 -12.211 -1.730 1.00 0.00 C ATOM 701 O PRO A 46 -4.849 -12.528 -2.379 1.00 0.00 O ATOM 702 CB PRO A 46 -2.206 -13.905 -2.671 1.00 0.00 C ATOM 703 CG PRO A 46 -1.366 -14.495 -1.550 1.00 0.00 C ATOM 704 CD PRO A 46 -0.830 -13.343 -0.715 1.00 0.00 C ATOM 0 HA PRO A 46 -2.388 -11.810 -3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.147 -14.444 -2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.687 -13.976 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.966 -15.165 -0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.545 -15.085 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.105 -13.453 0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.258 -13.297 -0.756 1.00 0.00 H new ATOM 712 N PHE A 47 -3.887 -11.650 -0.530 1.00 0.00 N ATOM 713 CA PHE A 47 -5.151 -11.361 0.126 1.00 0.00 C ATOM 714 C PHE A 47 -5.921 -12.649 0.425 1.00 0.00 C ATOM 715 O PHE A 47 -6.184 -12.964 1.584 1.00 0.00 O ATOM 716 CB PHE A 47 -5.970 -10.504 -0.841 1.00 0.00 C ATOM 717 CG PHE A 47 -7.483 -10.676 -0.696 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.103 -10.304 0.457 1.00 0.00 C ATOM 719 CD2 PHE A 47 -8.209 -11.200 -1.720 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.507 -10.464 0.591 1.00 0.00 C ATOM 721 CE2 PHE A 47 -9.614 -11.360 -1.585 1.00 0.00 C ATOM 722 CZ PHE A 47 -10.233 -10.988 -0.432 1.00 0.00 C ATOM 0 H PHE A 47 -3.059 -11.388 0.005 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.971 -10.849 1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.717 -9.455 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.683 -10.752 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.527 -9.887 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.717 -11.494 -2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.999 -10.169 1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.191 -11.777 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.301 -11.109 -0.329 1.00 0.00 H new ATOM 732 N LYS A 48 -6.261 -13.358 -0.641 1.00 0.00 N ATOM 733 CA LYS A 48 -6.996 -14.605 -0.508 1.00 0.00 C ATOM 734 C LYS A 48 -6.421 -15.408 0.661 1.00 0.00 C ATOM 735 O LYS A 48 -7.132 -16.189 1.291 1.00 0.00 O ATOM 736 CB LYS A 48 -7.002 -15.368 -1.834 1.00 0.00 C ATOM 737 CG LYS A 48 -7.551 -14.497 -2.966 1.00 0.00 C ATOM 738 CD LYS A 48 -6.585 -14.465 -4.152 1.00 0.00 C ATOM 739 CE LYS A 48 -7.307 -14.051 -5.436 1.00 0.00 C ATOM 740 NZ LYS A 48 -6.341 -13.894 -6.546 1.00 0.00 N ATOM 0 H LYS A 48 -6.041 -13.093 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.043 -14.408 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.989 -15.690 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.608 -16.269 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.518 -14.883 -3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.718 -13.484 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.773 -13.767 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.134 -15.448 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.053 -14.801 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.840 -13.114 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.847 -13.613 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.645 -13.162 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.851 -14.797 -6.710 1.00 0.00 H new ATOM 753 N GLU A 49 -5.140 -15.187 0.915 1.00 0.00 N ATOM 754 CA GLU A 49 -4.462 -15.881 1.997 1.00 0.00 C ATOM 755 C GLU A 49 -5.215 -15.675 3.313 1.00 0.00 C ATOM 756 O GLU A 49 -5.205 -16.548 4.180 1.00 0.00 O ATOM 757 CB GLU A 49 -3.008 -15.418 2.119 1.00 0.00 C ATOM 758 CG GLU A 49 -2.934 -13.939 2.502 1.00 0.00 C ATOM 759 CD GLU A 49 -2.151 -13.747 3.802 1.00 0.00 C ATOM 760 OE1 GLU A 49 -1.401 -14.646 4.212 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.343 -12.617 4.393 1.00 0.00 O ATOM 0 H GLU A 49 -4.554 -14.538 0.391 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.452 -16.947 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.493 -16.018 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.491 -15.579 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.457 -13.376 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.941 -13.539 2.618 1.00 0.00 H new ATOM 769 N LEU A 50 -5.849 -14.517 3.421 1.00 0.00 N ATOM 770 CA LEU A 50 -6.605 -14.186 4.617 1.00 0.00 C ATOM 771 C LEU A 50 -7.840 -15.085 4.698 1.00 0.00 C ATOM 772 O LEU A 50 -8.399 -15.282 5.776 1.00 0.00 O ATOM 773 CB LEU A 50 -6.929 -12.691 4.649 1.00 0.00 C ATOM 774 CG LEU A 50 -5.770 -11.747 4.324 1.00 0.00 C ATOM 775 CD1 LEU A 50 -6.282 -10.440 3.714 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.900 -11.501 5.558 1.00 0.00 C ATOM 0 H LEU A 50 -5.855 -13.796 2.700 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.010 -14.379 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.737 -12.499 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.307 -12.442 5.641 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.139 -12.226 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.438 -9.787 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.825 -10.656 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.948 -9.945 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.084 -10.827 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.505 -11.053 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.491 -12.448 5.909 1.00 0.00 H new ATOM 788 N GLY A 51 -8.231 -15.606 3.544 1.00 0.00 N ATOM 789 CA GLY A 51 -9.391 -16.479 3.472 1.00 0.00 C ATOM 790 C GLY A 51 -10.665 -15.677 3.201 1.00 0.00 C ATOM 791 O GLY A 51 -11.752 -16.245 3.108 1.00 0.00 O ATOM 0 H GLY A 51 -7.765 -15.441 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.247 -17.217 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.495 -17.029 4.407 1.00 0.00 H new ATOM 795 N PHE A 52 -10.489 -14.369 3.084 1.00 0.00 N ATOM 796 CA PHE A 52 -11.612 -13.483 2.826 1.00 0.00 C ATOM 797 C PHE A 52 -12.500 -14.034 1.709 1.00 0.00 C ATOM 798 O PHE A 52 -12.029 -14.768 0.842 1.00 0.00 O ATOM 799 CB PHE A 52 -11.029 -12.140 2.382 1.00 0.00 C ATOM 800 CG PHE A 52 -11.021 -11.072 3.478 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.198 -11.205 4.552 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.838 -9.989 3.378 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.191 -10.214 5.569 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.832 -8.998 4.395 1.00 0.00 C ATOM 805 CZ PHE A 52 -11.008 -9.132 5.469 1.00 0.00 C ATOM 0 H PHE A 52 -9.586 -13.901 3.163 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.222 -13.385 3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.008 -12.296 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.603 -11.770 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.549 -12.065 4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.492 -9.883 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.537 -10.320 6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.481 -8.139 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.003 -8.378 6.243 1.00 0.00 H new ATOM 815 N ASP A 53 -13.769 -13.659 1.766 1.00 0.00 N ATOM 816 CA ASP A 53 -14.728 -14.106 0.770 1.00 0.00 C ATOM 817 C ASP A 53 -15.812 -13.041 0.598 1.00 0.00 C ATOM 818 O ASP A 53 -15.734 -12.211 -0.307 1.00 0.00 O ATOM 819 CB ASP A 53 -15.406 -15.407 1.204 1.00 0.00 C ATOM 820 CG ASP A 53 -14.702 -16.687 0.749 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.269 -17.505 1.574 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.604 -16.830 -0.529 1.00 0.00 O ATOM 0 H ASP A 53 -14.156 -13.050 2.487 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.192 -14.273 -0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.477 -15.417 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.425 -15.414 0.818 1.00 0.00 H new ATOM 828 N SER A 54 -16.800 -13.100 1.479 1.00 0.00 N ATOM 829 CA SER A 54 -17.899 -12.151 1.436 1.00 0.00 C ATOM 830 C SER A 54 -18.064 -11.479 2.800 1.00 0.00 C ATOM 831 O SER A 54 -17.939 -10.260 2.916 1.00 0.00 O ATOM 832 CB SER A 54 -19.202 -12.836 1.021 1.00 0.00 C ATOM 833 OG SER A 54 -19.085 -13.485 -0.242 1.00 0.00 O ATOM 0 H SER A 54 -16.862 -13.791 2.227 1.00 0.00 H new ATOM 0 HA SER A 54 -17.666 -11.391 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.485 -13.566 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.002 -12.097 0.976 1.00 0.00 H new ATOM 0 HG SER A 54 -19.937 -13.912 -0.471 1.00 0.00 H new ATOM 839 N LEU A 55 -18.343 -12.302 3.800 1.00 0.00 N ATOM 840 CA LEU A 55 -18.527 -11.803 5.152 1.00 0.00 C ATOM 841 C LEU A 55 -17.279 -11.027 5.578 1.00 0.00 C ATOM 842 O LEU A 55 -17.374 -9.879 6.010 1.00 0.00 O ATOM 843 CB LEU A 55 -18.894 -12.946 6.100 1.00 0.00 C ATOM 844 CG LEU A 55 -20.373 -13.336 6.139 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.554 -14.827 5.851 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.013 -12.927 7.467 1.00 0.00 C ATOM 0 H LEU A 55 -18.446 -13.312 3.701 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.365 -11.107 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.314 -13.825 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.585 -12.669 7.108 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.891 -12.790 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.614 -15.078 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.158 -15.057 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.019 -15.410 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.064 -13.216 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.498 -13.426 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.933 -11.847 7.592 1.00 0.00 H new ATOM 858 N ALA A 56 -16.137 -11.685 5.443 1.00 0.00 N ATOM 859 CA ALA A 56 -14.872 -11.072 5.809 1.00 0.00 C ATOM 860 C ALA A 56 -14.660 -9.811 4.969 1.00 0.00 C ATOM 861 O ALA A 56 -14.223 -8.783 5.485 1.00 0.00 O ATOM 862 CB ALA A 56 -13.741 -12.087 5.631 1.00 0.00 C ATOM 0 H ALA A 56 -16.062 -12.637 5.085 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.880 -10.774 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.792 -11.626 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.924 -12.951 6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.701 -12.408 4.590 1.00 0.00 H new ATOM 868 N ALA A 57 -14.978 -9.930 3.689 1.00 0.00 N ATOM 869 CA ALA A 57 -14.828 -8.813 2.772 1.00 0.00 C ATOM 870 C ALA A 57 -15.804 -7.702 3.166 1.00 0.00 C ATOM 871 O ALA A 57 -15.581 -6.534 2.849 1.00 0.00 O ATOM 872 CB ALA A 57 -15.044 -9.297 1.337 1.00 0.00 C ATOM 0 H ALA A 57 -15.339 -10.784 3.264 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.820 -8.402 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.931 -8.459 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.308 -10.064 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.047 -9.713 1.240 1.00 0.00 H new ATOM 878 N VAL A 58 -16.864 -8.104 3.851 1.00 0.00 N ATOM 879 CA VAL A 58 -17.874 -7.157 4.291 1.00 0.00 C ATOM 880 C VAL A 58 -17.420 -6.503 5.597 1.00 0.00 C ATOM 881 O VAL A 58 -17.640 -5.312 5.809 1.00 0.00 O ATOM 882 CB VAL A 58 -19.230 -7.856 4.412 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.103 -7.180 5.471 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.945 -7.904 3.061 1.00 0.00 C ATOM 0 H VAL A 58 -17.045 -9.073 4.112 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.998 -6.362 3.556 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.050 -8.882 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.061 -7.696 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.601 -7.222 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.270 -6.139 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.906 -8.406 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.107 -6.889 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.333 -8.452 2.345 1.00 0.00 H new ATOM 894 N ARG A 59 -16.793 -7.312 6.440 1.00 0.00 N ATOM 895 CA ARG A 59 -16.306 -6.827 7.720 1.00 0.00 C ATOM 896 C ARG A 59 -15.211 -5.778 7.508 1.00 0.00 C ATOM 897 O ARG A 59 -15.145 -4.790 8.237 1.00 0.00 O ATOM 898 CB ARG A 59 -15.748 -7.972 8.566 1.00 0.00 C ATOM 899 CG ARG A 59 -16.646 -8.250 9.773 1.00 0.00 C ATOM 900 CD ARG A 59 -15.813 -8.473 11.037 1.00 0.00 C ATOM 901 NE ARG A 59 -16.465 -7.819 12.194 1.00 0.00 N ATOM 902 CZ ARG A 59 -15.846 -7.565 13.367 1.00 0.00 C ATOM 903 NH1 ARG A 59 -14.553 -7.908 13.548 1.00 0.00 N ATOM 904 NH2 ARG A 59 -16.525 -6.976 14.334 1.00 0.00 N ATOM 0 H ARG A 59 -16.611 -8.300 6.261 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.148 -6.378 8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.663 -8.872 7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.743 -7.722 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.327 -7.412 9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.261 -9.129 9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.703 -9.541 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.810 -8.069 10.898 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.442 -7.543 12.099 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.036 -8.363 12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.093 -7.712 14.437 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.502 -6.720 14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.073 -6.777 15.226 1.00 0.00 H new ATOM 917 N LEU A 60 -14.380 -6.030 6.508 1.00 0.00 N ATOM 918 CA LEU A 60 -13.292 -5.120 6.191 1.00 0.00 C ATOM 919 C LEU A 60 -13.869 -3.819 5.630 1.00 0.00 C ATOM 920 O LEU A 60 -13.284 -2.751 5.804 1.00 0.00 O ATOM 921 CB LEU A 60 -12.282 -5.796 5.263 1.00 0.00 C ATOM 922 CG LEU A 60 -11.077 -4.948 4.852 1.00 0.00 C ATOM 923 CD1 LEU A 60 -9.914 -5.137 5.828 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.666 -5.241 3.407 1.00 0.00 C ATOM 0 H LEU A 60 -14.438 -6.851 5.906 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.737 -4.860 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.916 -6.699 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.804 -6.112 4.360 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.368 -3.899 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.071 -4.523 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.226 -4.838 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.615 -6.185 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.807 -4.625 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.401 -6.294 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.497 -5.013 2.739 1.00 0.00 H new ATOM 936 N ARG A 61 -15.009 -3.951 4.968 1.00 0.00 N ATOM 937 CA ARG A 61 -15.670 -2.799 4.380 1.00 0.00 C ATOM 938 C ARG A 61 -16.243 -1.899 5.476 1.00 0.00 C ATOM 939 O ARG A 61 -16.035 -0.686 5.461 1.00 0.00 O ATOM 940 CB ARG A 61 -16.800 -3.231 3.443 1.00 0.00 C ATOM 941 CG ARG A 61 -17.382 -2.030 2.694 1.00 0.00 C ATOM 942 CD ARG A 61 -17.034 -2.091 1.206 1.00 0.00 C ATOM 943 NE ARG A 61 -18.183 -2.622 0.439 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.408 -2.054 0.421 1.00 0.00 C ATOM 945 NH1 ARG A 61 -19.654 -0.932 1.129 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.362 -2.614 -0.300 1.00 0.00 N ATOM 0 H ARG A 61 -15.492 -4.838 4.826 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.926 -2.248 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.424 -3.963 2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.586 -3.721 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.465 -2.010 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.995 -1.106 3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.773 -1.097 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.160 -2.725 1.054 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.041 -3.470 -0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.912 -0.506 1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.582 -0.510 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.168 -3.462 -0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.293 -2.198 -0.325 1.00 0.00 H new ATOM 959 N ASN A 62 -16.953 -2.526 6.402 1.00 0.00 N ATOM 960 CA ASN A 62 -17.557 -1.797 7.504 1.00 0.00 C ATOM 961 C ASN A 62 -16.467 -1.043 8.269 1.00 0.00 C ATOM 962 O ASN A 62 -16.736 -0.015 8.888 1.00 0.00 O ATOM 963 CB ASN A 62 -18.248 -2.749 8.482 1.00 0.00 C ATOM 964 CG ASN A 62 -19.741 -2.868 8.168 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.591 -2.326 8.855 1.00 0.00 O ATOM 966 ND2 ASN A 62 -20.011 -3.606 7.095 1.00 0.00 N ATOM 0 H ASN A 62 -17.124 -3.532 6.412 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.294 -1.109 7.089 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.782 -3.733 8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.115 -2.388 9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.978 -3.746 6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.251 -4.032 6.564 1.00 0.00 H new ATOM 973 N LEU A 63 -15.259 -1.585 8.203 1.00 0.00 N ATOM 974 CA LEU A 63 -14.128 -0.976 8.881 1.00 0.00 C ATOM 975 C LEU A 63 -13.448 0.019 7.939 1.00 0.00 C ATOM 976 O LEU A 63 -13.359 1.207 8.245 1.00 0.00 O ATOM 977 CB LEU A 63 -13.185 -2.053 9.422 1.00 0.00 C ATOM 978 CG LEU A 63 -12.768 -1.905 10.887 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.527 -3.273 11.529 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.551 -0.987 11.020 1.00 0.00 C ATOM 0 H LEU A 63 -15.040 -2.439 7.690 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.465 -0.412 9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.665 -3.024 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.285 -2.062 8.808 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.588 -1.434 11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.232 -3.140 12.570 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.443 -3.862 11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.734 -3.793 10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.275 -0.899 12.071 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.716 -1.407 10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.794 -0.001 10.625 1.00 0.00 H new ATOM 992 N LEU A 64 -12.987 -0.503 6.812 1.00 0.00 N ATOM 993 CA LEU A 64 -12.318 0.325 5.823 1.00 0.00 C ATOM 994 C LEU A 64 -13.094 1.632 5.649 1.00 0.00 C ATOM 995 O LEU A 64 -12.519 2.656 5.285 1.00 0.00 O ATOM 996 CB LEU A 64 -12.120 -0.451 4.519 1.00 0.00 C ATOM 997 CG LEU A 64 -10.836 -1.276 4.418 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.809 -2.091 3.123 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.600 -0.385 4.560 1.00 0.00 C ATOM 0 H LEU A 64 -13.064 -1.489 6.562 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.317 0.591 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.970 -1.120 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.139 0.258 3.691 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.819 -1.985 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.886 -2.669 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.662 -2.769 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.860 -1.417 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.700 -0.996 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.598 0.363 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.620 0.113 5.529 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.389 1.554 5.917 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.250 2.718 5.795 1.00 0.00 C ATOM 1013 C ASN A 65 -14.658 3.872 6.606 1.00 0.00 C ATOM 1014 O ASN A 65 -14.673 5.019 6.161 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.650 2.427 6.339 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.653 2.235 5.200 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -18.529 3.050 4.965 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.476 1.113 4.507 1.00 0.00 N ATOM 0 H ASN A 65 -14.863 0.703 6.218 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.320 2.976 4.738 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.624 1.531 6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.973 3.248 6.978 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.094 0.893 3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.722 0.473 4.757 1.00 0.00 H new ATOM 1025 N ALA A 66 -14.152 3.529 7.781 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.556 4.523 8.658 1.00 0.00 C ATOM 1027 C ALA A 66 -12.150 4.859 8.159 1.00 0.00 C ATOM 1028 O ALA A 66 -11.604 5.910 8.493 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.555 4.000 10.096 1.00 0.00 C ATOM 0 H ALA A 66 -14.142 2.577 8.147 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.139 5.444 8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.108 4.745 10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.579 3.804 10.413 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.977 3.077 10.147 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.603 3.948 7.368 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.271 4.135 6.819 1.00 0.00 C ATOM 1037 C ALA A 67 -10.322 5.195 5.717 1.00 0.00 C ATOM 1038 O ALA A 67 -9.363 5.941 5.524 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.733 2.795 6.314 1.00 0.00 C ATOM 0 H ALA A 67 -12.059 3.077 7.094 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.586 4.492 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.734 2.936 5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.688 2.086 7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.393 2.407 5.539 1.00 0.00 H new ATOM 1045 N THR A 68 -11.450 5.229 5.024 1.00 0.00 N ATOM 1046 CA THR A 68 -11.639 6.185 3.947 1.00 0.00 C ATOM 1047 C THR A 68 -12.652 7.256 4.355 1.00 0.00 C ATOM 1048 O THR A 68 -12.322 8.440 4.409 1.00 0.00 O ATOM 1049 CB THR A 68 -12.046 5.410 2.692 1.00 0.00 C ATOM 1050 OG1 THR A 68 -13.087 4.546 3.141 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.951 4.456 2.211 1.00 0.00 C ATOM 0 H THR A 68 -12.243 4.609 5.188 1.00 0.00 H new ATOM 0 HA THR A 68 -10.716 6.722 3.729 1.00 0.00 H new ATOM 0 HB THR A 68 -12.290 6.112 1.895 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.910 4.741 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.292 3.932 1.318 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.051 5.024 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.729 3.732 2.995 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.865 6.802 4.634 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.929 7.706 5.036 1.00 0.00 C ATOM 1061 C GLY A 69 -16.228 7.390 4.293 1.00 0.00 C ATOM 1062 O GLY A 69 -17.301 7.843 4.689 1.00 0.00 O ATOM 0 H GLY A 69 -14.135 5.819 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.092 7.626 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.632 8.735 4.834 1.00 0.00 H new ATOM 1066 N LEU A 70 -16.089 6.613 3.228 1.00 0.00 N ATOM 1067 CA LEU A 70 -17.239 6.231 2.426 1.00 0.00 C ATOM 1068 C LEU A 70 -17.493 4.731 2.590 1.00 0.00 C ATOM 1069 O LEU A 70 -16.895 4.086 3.450 1.00 0.00 O ATOM 1070 CB LEU A 70 -17.046 6.667 0.972 1.00 0.00 C ATOM 1071 CG LEU A 70 -15.738 6.231 0.308 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -15.942 5.969 -1.185 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.627 7.251 0.565 1.00 0.00 C ATOM 0 H LEU A 70 -15.198 6.238 2.902 1.00 0.00 H new ATOM 0 HA LEU A 70 -18.135 6.746 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -17.876 6.277 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -17.107 7.754 0.929 1.00 0.00 H new ATOM 0 HG LEU A 70 -15.422 5.290 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.997 5.661 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.681 5.179 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.293 6.880 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.708 6.918 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.920 8.219 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.460 7.344 1.638 1.00 0.00 H new ATOM 1085 N ARG A 71 -18.382 4.219 1.751 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.722 2.807 1.792 1.00 0.00 C ATOM 1087 C ARG A 71 -17.757 2.002 0.919 1.00 0.00 C ATOM 1088 O ARG A 71 -17.886 0.784 0.804 1.00 0.00 O ATOM 1089 CB ARG A 71 -20.154 2.572 1.307 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.373 3.188 -0.076 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.475 4.249 -0.036 1.00 0.00 C ATOM 1092 NE ARG A 71 -20.927 5.564 -0.435 1.00 0.00 N ATOM 1093 CZ ARG A 71 -20.666 5.919 -1.711 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -20.900 5.058 -2.724 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -20.177 7.121 -1.953 1.00 0.00 N ATOM 0 H ARG A 71 -18.877 4.757 1.039 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.641 2.477 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.358 1.502 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.858 3.005 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.444 3.636 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.641 2.407 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.288 3.966 -0.705 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.896 4.311 0.968 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.734 6.245 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -21.277 4.131 -2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.700 5.335 -3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.002 7.765 -1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.974 7.406 -2.911 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.810 2.716 0.327 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.824 2.083 -0.532 1.00 0.00 C ATOM 1110 C LEU A 72 -16.537 1.201 -1.558 1.00 0.00 C ATOM 1111 O LEU A 72 -17.724 0.911 -1.414 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.785 1.335 0.306 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.586 2.158 0.780 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.617 1.298 1.594 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.892 2.844 -0.398 1.00 0.00 C ATOM 0 H LEU A 72 -16.705 3.726 0.425 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.268 2.835 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.284 0.920 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.414 0.493 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.952 2.944 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.774 1.908 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.132 0.897 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.254 0.476 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.043 3.423 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.541 2.090 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.596 3.509 -0.898 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.764 0.789 -2.598 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.310 -0.054 -3.648 1.00 0.00 C ATOM 1129 C PRO A 73 -16.483 -1.494 -3.161 1.00 0.00 C ATOM 1130 O PRO A 73 -15.605 -2.036 -2.490 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.328 0.068 -4.802 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.039 0.600 -4.197 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.355 1.113 -2.802 1.00 0.00 C ATOM 0 HA PRO A 73 -17.308 0.255 -3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.166 -0.898 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.708 0.744 -5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.285 -0.186 -4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.630 1.400 -4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.726 0.634 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.180 2.186 -2.726 1.00 0.00 H new ATOM 1141 N SER A 74 -17.620 -2.074 -3.517 1.00 0.00 N ATOM 1142 CA SER A 74 -17.919 -3.440 -3.124 1.00 0.00 C ATOM 1143 C SER A 74 -16.915 -4.400 -3.765 1.00 0.00 C ATOM 1144 O SER A 74 -16.790 -5.548 -3.340 1.00 0.00 O ATOM 1145 CB SER A 74 -19.347 -3.826 -3.517 1.00 0.00 C ATOM 1146 OG SER A 74 -19.637 -3.493 -4.872 1.00 0.00 O ATOM 0 H SER A 74 -18.345 -1.622 -4.074 1.00 0.00 H new ATOM 0 HA SER A 74 -17.838 -3.510 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.487 -4.897 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 74 -20.053 -3.319 -2.860 1.00 0.00 H new ATOM 0 HG SER A 74 -20.557 -3.757 -5.084 1.00 0.00 H new ATOM 1152 N THR A 75 -16.224 -3.895 -4.776 1.00 0.00 N ATOM 1153 CA THR A 75 -15.234 -4.694 -5.479 1.00 0.00 C ATOM 1154 C THR A 75 -13.864 -4.554 -4.813 1.00 0.00 C ATOM 1155 O THR A 75 -12.924 -5.265 -5.162 1.00 0.00 O ATOM 1156 CB THR A 75 -15.241 -4.269 -6.949 1.00 0.00 C ATOM 1157 OG1 THR A 75 -16.026 -5.267 -7.596 1.00 0.00 O ATOM 1158 CG2 THR A 75 -13.863 -4.397 -7.602 1.00 0.00 C ATOM 0 H THR A 75 -16.330 -2.943 -5.125 1.00 0.00 H new ATOM 0 HA THR A 75 -15.476 -5.756 -5.431 1.00 0.00 H new ATOM 0 HB THR A 75 -15.585 -3.238 -7.027 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.084 -5.068 -8.554 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.924 -4.083 -8.644 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.150 -3.765 -7.073 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.533 -5.435 -7.554 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.795 -3.631 -3.864 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.556 -3.389 -3.145 1.00 0.00 C ATOM 1168 C LEU A 76 -11.880 -4.726 -2.837 1.00 0.00 C ATOM 1169 O LEU A 76 -10.715 -4.929 -3.176 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.815 -2.531 -1.905 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.595 -2.223 -1.035 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.781 -0.909 -0.275 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.283 -3.390 -0.096 1.00 0.00 C ATOM 0 H LEU A 76 -14.577 -3.042 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.864 -2.816 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.255 -1.587 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.559 -3.035 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.732 -2.096 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.899 -0.714 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.918 -0.094 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.659 -0.981 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.412 -3.145 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.139 -3.573 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.076 -4.285 -0.684 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.639 -5.604 -2.199 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.128 -6.916 -1.842 1.00 0.00 C ATOM 1187 C VAL A 77 -12.292 -7.864 -3.031 1.00 0.00 C ATOM 1188 O VAL A 77 -12.709 -9.009 -2.865 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.822 -7.421 -0.575 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.508 -8.899 -0.330 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.437 -6.571 0.637 1.00 0.00 C ATOM 0 H VAL A 77 -13.605 -5.432 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.063 -6.862 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.898 -7.327 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.013 -9.233 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.855 -9.490 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.432 -9.028 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.944 -6.951 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.358 -6.619 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.734 -5.536 0.465 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.956 -7.351 -4.206 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.061 -8.138 -5.423 1.00 0.00 C ATOM 1203 C PHE A 78 -11.011 -7.704 -6.449 1.00 0.00 C ATOM 1204 O PHE A 78 -10.307 -8.539 -7.013 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.455 -7.885 -6.000 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.179 -9.154 -6.455 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.707 -9.864 -7.515 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.296 -9.571 -5.800 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.379 -11.041 -7.937 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.968 -10.749 -6.222 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.496 -11.459 -7.282 1.00 0.00 C ATOM 0 H PHE A 78 -11.611 -6.401 -4.341 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.898 -9.192 -5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.063 -7.382 -5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.369 -7.205 -6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.821 -9.532 -8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.672 -9.007 -4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.004 -11.605 -8.778 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.854 -11.081 -5.701 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.008 -12.354 -7.604 1.00 0.00 H new ATOM 1221 N ASP A 79 -10.940 -6.397 -6.658 1.00 0.00 N ATOM 1222 CA ASP A 79 -9.989 -5.842 -7.606 1.00 0.00 C ATOM 1223 C ASP A 79 -8.649 -5.614 -6.902 1.00 0.00 C ATOM 1224 O ASP A 79 -7.688 -5.161 -7.522 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.473 -4.496 -8.149 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.067 -4.198 -9.593 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.879 -4.319 -10.523 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -8.843 -3.821 -9.749 1.00 0.00 O ATOM 0 H ASP A 79 -11.525 -5.707 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.885 -6.547 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.560 -4.463 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.088 -3.703 -7.508 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.629 -5.938 -5.618 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.424 -5.773 -4.823 1.00 0.00 C ATOM 1236 C HIS A 80 -6.729 -7.127 -4.659 1.00 0.00 C ATOM 1237 O HIS A 80 -7.209 -7.989 -3.925 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.742 -5.103 -3.485 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.968 -6.074 -2.351 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.938 -7.060 -2.390 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -7.339 -6.200 -1.147 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.888 -7.742 -1.256 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.896 -7.208 -0.486 1.00 0.00 N ATOM 0 H HIS A 80 -9.428 -6.314 -5.108 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.732 -5.108 -5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.922 -4.436 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.631 -4.484 -3.603 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.526 -5.584 -0.792 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.521 -8.575 -0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.627 -7.530 0.444 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.580 -7.274 -5.372 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.815 -8.507 -5.312 1.00 0.00 C ATOM 1253 C PRO A 81 -4.050 -8.614 -3.991 1.00 0.00 C ATOM 1254 O PRO A 81 -3.829 -9.713 -3.484 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.901 -8.463 -6.526 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.855 -7.007 -6.959 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.982 -6.273 -6.251 1.00 0.00 C ATOM 0 HA PRO A 81 -5.446 -9.395 -5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.904 -8.829 -6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.283 -9.097 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.892 -6.564 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.967 -6.927 -8.040 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.606 -5.422 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.711 -5.885 -6.963 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.666 -7.457 -3.471 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.930 -7.407 -2.220 1.00 0.00 C ATOM 1267 C ASN A 82 -3.378 -6.183 -1.419 1.00 0.00 C ATOM 1268 O ASN A 82 -4.173 -5.378 -1.901 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.426 -7.284 -2.470 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.052 -7.831 -3.849 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.049 -7.127 -4.845 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.739 -9.124 -3.851 1.00 0.00 N ATOM 0 H ASN A 82 -3.851 -6.547 -3.894 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.130 -8.329 -1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.126 -6.239 -2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.880 -7.828 -1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.476 -9.584 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.762 -9.656 -2.981 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.848 -6.080 -0.209 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.183 -4.968 0.664 1.00 0.00 C ATOM 1281 C ALA A 83 -2.674 -3.666 0.042 1.00 0.00 C ATOM 1282 O ALA A 83 -3.422 -2.697 -0.079 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.598 -5.216 2.056 1.00 0.00 C ATOM 0 H ALA A 83 -2.188 -6.749 0.188 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.264 -4.881 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.850 -4.381 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.013 -6.137 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.514 -5.307 1.984 1.00 0.00 H new ATOM 1289 N SER A 84 -1.404 -3.685 -0.337 1.00 0.00 N ATOM 1290 CA SER A 84 -0.786 -2.519 -0.944 1.00 0.00 C ATOM 1291 C SER A 84 -1.756 -1.867 -1.931 1.00 0.00 C ATOM 1292 O SER A 84 -1.919 -0.647 -1.933 1.00 0.00 O ATOM 1293 CB SER A 84 0.519 -2.891 -1.650 1.00 0.00 C ATOM 1294 OG SER A 84 1.455 -1.817 -1.642 1.00 0.00 O ATOM 0 H SER A 84 -0.786 -4.490 -0.235 1.00 0.00 H new ATOM 0 HA SER A 84 -0.549 -1.807 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.960 -3.760 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.305 -3.178 -2.680 1.00 0.00 H new ATOM 0 HG SER A 84 2.275 -2.095 -2.101 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.375 -2.708 -2.746 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.325 -2.228 -3.736 1.00 0.00 C ATOM 1302 C ALA A 85 -4.478 -1.516 -3.027 1.00 0.00 C ATOM 1303 O ALA A 85 -4.724 -0.334 -3.267 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.803 -3.401 -4.594 1.00 0.00 C ATOM 0 H ALA A 85 -2.238 -3.719 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.853 -1.507 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.515 -3.042 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.950 -3.854 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.285 -4.144 -3.959 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.155 -2.264 -2.168 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.276 -1.718 -1.422 1.00 0.00 C ATOM 1312 C VAL A 86 -5.900 -0.338 -0.880 1.00 0.00 C ATOM 1313 O VAL A 86 -6.697 0.597 -0.945 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.700 -2.696 -0.324 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -6.287 -2.183 1.056 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -8.205 -2.966 -0.381 1.00 0.00 C ATOM 0 H VAL A 86 -4.949 -3.244 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.140 -1.587 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.184 -3.640 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.600 -2.897 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.204 -2.066 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.762 -1.220 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.480 -3.664 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.748 -2.031 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.461 -3.396 -1.349 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.685 -0.253 -0.358 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.193 0.997 0.194 1.00 0.00 C ATOM 1328 C ALA A 87 -4.439 2.125 -0.810 1.00 0.00 C ATOM 1329 O ALA A 87 -5.097 3.114 -0.489 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.713 0.850 0.554 1.00 0.00 C ATOM 0 H ALA A 87 -4.027 -1.030 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.728 1.248 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.344 1.788 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.595 0.057 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.144 0.600 -0.341 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.898 1.939 -2.005 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.051 2.929 -3.057 1.00 0.00 C ATOM 1338 C GLY A 88 -5.527 3.260 -3.289 1.00 0.00 C ATOM 1339 O GLY A 88 -5.929 4.418 -3.198 1.00 0.00 O ATOM 0 H GLY A 88 -3.353 1.118 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.509 3.836 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.609 2.555 -3.980 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.293 2.220 -3.585 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.716 2.386 -3.831 1.00 0.00 C ATOM 1345 C PHE A 89 -8.352 3.295 -2.778 1.00 0.00 C ATOM 1346 O PHE A 89 -9.208 4.117 -3.098 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.350 0.996 -3.739 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.148 0.593 -4.981 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -8.517 0.015 -6.037 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -10.490 0.813 -5.027 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -9.258 -0.358 -7.190 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.231 0.440 -6.180 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.599 -0.138 -7.236 1.00 0.00 C ATOM 0 H PHE A 89 -5.956 1.260 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.875 2.842 -4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.564 0.260 -3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.008 0.965 -2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.452 -0.161 -5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -10.992 1.271 -4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.757 -0.816 -8.030 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.296 0.615 -6.218 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.163 -0.423 -8.112 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.909 3.115 -1.542 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.425 3.909 -0.440 1.00 0.00 C ATOM 1365 C LEU A 90 -7.920 5.347 -0.572 1.00 0.00 C ATOM 1366 O LEU A 90 -8.676 6.295 -0.369 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.076 3.256 0.899 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.079 2.227 1.425 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -8.800 0.841 0.841 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.097 2.211 2.955 1.00 0.00 C ATOM 0 H LEU A 90 -7.199 2.431 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.514 3.949 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.105 2.771 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.966 4.042 1.646 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.075 2.521 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.527 0.129 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.878 0.881 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.795 0.524 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.818 1.471 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.105 1.954 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.380 3.196 3.326 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.645 5.464 -0.913 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.030 6.770 -1.075 1.00 0.00 C ATOM 1384 C ASP A 91 -6.746 7.531 -2.193 1.00 0.00 C ATOM 1385 O ASP A 91 -7.087 8.702 -2.032 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.555 6.641 -1.461 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.663 7.795 -1.000 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.366 8.720 -1.771 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.261 7.719 0.224 1.00 0.00 O ATOM 0 H ASP A 91 -6.021 4.675 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.109 7.300 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.166 5.712 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.485 6.558 -2.546 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.954 6.834 -3.300 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.623 7.429 -4.444 1.00 0.00 C ATOM 1397 C ALA A 92 -9.022 7.890 -4.029 1.00 0.00 C ATOM 1398 O ALA A 92 -9.520 8.899 -4.525 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.660 6.422 -5.596 1.00 0.00 C ATOM 0 H ALA A 92 -6.671 5.863 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.077 8.305 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.162 6.869 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.642 6.149 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.202 5.530 -5.282 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.616 7.128 -3.122 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.947 7.446 -2.634 1.00 0.00 C ATOM 1407 C GLU A 93 -10.887 8.619 -1.653 1.00 0.00 C ATOM 1408 O GLU A 93 -11.867 9.342 -1.484 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.600 6.223 -1.986 1.00 0.00 C ATOM 1410 CG GLU A 93 -11.954 5.169 -3.038 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.303 5.477 -3.690 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -13.961 4.566 -4.213 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.663 6.715 -3.640 1.00 0.00 O ATOM 0 H GLU A 93 -9.200 6.292 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.564 7.739 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.923 5.793 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.501 6.527 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.176 5.136 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.987 4.183 -2.574 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.726 8.771 -1.032 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.525 9.844 -0.073 1.00 0.00 C ATOM 1423 C LEU A 94 -9.126 11.119 -0.817 1.00 0.00 C ATOM 1424 O LEU A 94 -9.369 12.225 -0.336 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.523 9.420 1.002 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.058 8.481 2.085 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.004 7.446 2.483 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.570 9.270 3.291 1.00 0.00 C ATOM 0 H LEU A 94 -8.915 8.169 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.453 10.061 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.679 8.934 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.137 10.318 1.485 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.907 7.935 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.410 6.791 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.729 6.853 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.121 7.956 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.945 8.579 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.756 9.860 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.375 9.934 2.976 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.519 10.923 -1.979 1.00 0.00 N ATOM 1441 CA GLY A 95 -8.084 12.045 -2.794 1.00 0.00 C ATOM 1442 C GLY A 95 -9.278 12.884 -3.255 1.00 0.00 C ATOM 1443 O GLY A 95 -9.184 14.107 -3.344 1.00 0.00 O ATOM 0 H GLY A 95 -8.318 10.005 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.396 12.668 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.536 11.678 -3.662 1.00 0.00 H new TER 1447 GLY A 95