USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 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 17 ASN : amide:sc= -0.649 K(o=-0.61,f=0.025) USER MOD Set 1.2: A 19 THR OG1 : rot 90:sc= 0.0406 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00877 (180deg=-0.249) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.09 K(o=-0.09,f=-2.1!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00304) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 49 TYR OH : rot -39:sc= -0.543 USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= -0.316 (180deg=-1.35!) USER MOD Single : A 54 THR OG1 : rot 140:sc= -1.06 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -110:sc= -0.703 USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 0.275 (180deg=0.116) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 63.498 18.041 -16.321 1.00 0.00 N ATOM 2 CA MET A 1 62.665 17.193 -15.442 1.00 0.00 C ATOM 3 C MET A 1 61.527 18.039 -14.847 1.00 0.00 C ATOM 4 O MET A 1 61.764 18.879 -13.970 1.00 0.00 O ATOM 5 CB MET A 1 63.543 16.546 -14.332 1.00 0.00 C ATOM 6 CG MET A 1 64.675 15.643 -14.854 1.00 0.00 C ATOM 7 SD MET A 1 65.745 15.035 -13.529 1.00 0.00 S ATOM 8 CE MET A 1 66.931 14.041 -14.439 1.00 0.00 C ATOM 0 H1 MET A 1 64.101 17.437 -16.916 1.00 0.00 H new ATOM 0 H2 MET A 1 62.884 18.621 -16.927 1.00 0.00 H new ATOM 0 H3 MET A 1 64.096 18.662 -15.739 1.00 0.00 H new ATOM 0 HA MET A 1 62.221 16.383 -16.021 1.00 0.00 H new ATOM 0 HB2 MET A 1 63.980 17.339 -13.724 1.00 0.00 H new ATOM 0 HB3 MET A 1 62.901 15.958 -13.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 64.243 14.795 -15.385 1.00 0.00 H new ATOM 0 HG3 MET A 1 65.275 16.198 -15.575 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.650 13.606 -13.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 66.408 13.243 -14.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 67.456 14.669 -15.159 1.00 0.00 H new ATOM 20 N SER A 2 60.301 17.844 -15.368 1.00 0.00 N ATOM 21 CA SER A 2 59.102 18.564 -14.910 1.00 0.00 C ATOM 22 C SER A 2 58.237 17.635 -14.036 1.00 0.00 C ATOM 23 O SER A 2 57.711 16.630 -14.533 1.00 0.00 O ATOM 24 CB SER A 2 58.297 19.066 -16.131 1.00 0.00 C ATOM 25 OG SER A 2 59.105 19.842 -17.005 1.00 0.00 O ATOM 0 H SER A 2 60.116 17.181 -16.120 1.00 0.00 H new ATOM 0 HA SER A 2 59.402 19.424 -14.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 57.888 18.214 -16.673 1.00 0.00 H new ATOM 0 HB3 SER A 2 57.451 19.663 -15.790 1.00 0.00 H new ATOM 0 HG SER A 2 58.567 20.143 -17.767 1.00 0.00 H new ATOM 31 N ARG A 3 58.122 17.969 -12.735 1.00 0.00 N ATOM 32 CA ARG A 3 57.308 17.205 -11.781 1.00 0.00 C ATOM 33 C ARG A 3 55.805 17.507 -12.005 1.00 0.00 C ATOM 34 O ARG A 3 55.360 18.655 -11.888 1.00 0.00 O ATOM 35 CB ARG A 3 57.764 17.477 -10.316 1.00 0.00 C ATOM 36 CG ARG A 3 57.694 18.944 -9.825 1.00 0.00 C ATOM 37 CD ARG A 3 58.261 19.108 -8.402 1.00 0.00 C ATOM 38 NE ARG A 3 58.087 20.473 -7.876 1.00 0.00 N ATOM 39 CZ ARG A 3 58.454 20.885 -6.643 1.00 0.00 C ATOM 40 NH1 ARG A 3 59.103 20.071 -5.815 1.00 0.00 N ATOM 41 NH2 ARG A 3 58.189 22.130 -6.257 1.00 0.00 N ATOM 0 H ARG A 3 58.591 18.775 -12.321 1.00 0.00 H new ATOM 0 HA ARG A 3 57.456 16.139 -11.956 1.00 0.00 H new ATOM 0 HB2 ARG A 3 57.153 16.866 -9.651 1.00 0.00 H new ATOM 0 HB3 ARG A 3 58.793 17.132 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 3 58.250 19.582 -10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 3 56.658 19.283 -9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 3 57.769 18.400 -7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 3 59.322 18.857 -8.406 1.00 0.00 H new ATOM 0 HE ARG A 3 57.655 21.162 -8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 3 59.330 19.121 -6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 3 59.373 20.397 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 3 57.710 22.770 -6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 3 58.464 22.445 -5.327 1.00 0.00 H new ATOM 55 N MET A 4 55.050 16.463 -12.373 1.00 0.00 N ATOM 56 CA MET A 4 53.614 16.560 -12.703 1.00 0.00 C ATOM 57 C MET A 4 52.909 15.267 -12.249 1.00 0.00 C ATOM 58 O MET A 4 53.558 14.212 -12.176 1.00 0.00 O ATOM 59 CB MET A 4 53.434 16.808 -14.232 1.00 0.00 C ATOM 60 CG MET A 4 52.004 17.147 -14.686 1.00 0.00 C ATOM 61 SD MET A 4 51.905 17.504 -16.455 1.00 0.00 S ATOM 62 CE MET A 4 50.223 18.103 -16.613 1.00 0.00 C ATOM 0 H MET A 4 55.419 15.515 -12.452 1.00 0.00 H new ATOM 0 HA MET A 4 53.162 17.403 -12.180 1.00 0.00 H new ATOM 0 HB2 MET A 4 54.094 17.623 -14.530 1.00 0.00 H new ATOM 0 HB3 MET A 4 53.765 15.918 -14.768 1.00 0.00 H new ATOM 0 HG2 MET A 4 51.344 16.312 -14.450 1.00 0.00 H new ATOM 0 HG3 MET A 4 51.643 18.008 -14.124 1.00 0.00 H new ATOM 0 HE1 MET A 4 50.025 18.360 -17.653 1.00 0.00 H new ATOM 0 HE2 MET A 4 49.529 17.326 -16.293 1.00 0.00 H new ATOM 0 HE3 MET A 4 50.091 18.987 -15.989 1.00 0.00 H new ATOM 72 N ASP A 5 51.594 15.373 -11.929 1.00 0.00 N ATOM 73 CA ASP A 5 50.770 14.271 -11.373 1.00 0.00 C ATOM 74 C ASP A 5 51.240 13.901 -9.952 1.00 0.00 C ATOM 75 O ASP A 5 52.274 13.237 -9.786 1.00 0.00 O ATOM 76 CB ASP A 5 50.731 13.011 -12.292 1.00 0.00 C ATOM 77 CG ASP A 5 49.994 13.252 -13.622 1.00 0.00 C ATOM 78 OD1 ASP A 5 50.629 13.735 -14.587 1.00 0.00 O ATOM 79 OD2 ASP A 5 48.781 12.948 -13.712 1.00 0.00 O ATOM 0 H ASP A 5 51.070 16.239 -12.052 1.00 0.00 H new ATOM 0 HA ASP A 5 49.747 14.645 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 5 51.752 12.691 -12.503 1.00 0.00 H new ATOM 0 HB3 ASP A 5 50.245 12.195 -11.758 1.00 0.00 H new ATOM 84 N ASN A 6 50.485 14.364 -8.936 1.00 0.00 N ATOM 85 CA ASN A 6 50.761 14.064 -7.517 1.00 0.00 C ATOM 86 C ASN A 6 50.461 12.579 -7.217 1.00 0.00 C ATOM 87 O ASN A 6 49.435 12.045 -7.662 1.00 0.00 O ATOM 88 CB ASN A 6 49.909 14.970 -6.576 1.00 0.00 C ATOM 89 CG ASN A 6 50.170 16.475 -6.713 1.00 0.00 C ATOM 90 OD1 ASN A 6 50.486 16.980 -7.786 1.00 0.00 O ATOM 91 ND2 ASN A 6 50.021 17.210 -5.617 1.00 0.00 N ATOM 0 H ASN A 6 49.667 14.957 -9.076 1.00 0.00 H new ATOM 0 HA ASN A 6 51.816 14.266 -7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 6 48.854 14.780 -6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 6 50.099 14.676 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 6 50.170 18.218 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 6 49.758 16.766 -4.737 1.00 0.00 H new ATOM 98 N THR A 7 51.370 11.923 -6.474 1.00 0.00 N ATOM 99 CA THR A 7 51.203 10.527 -6.033 1.00 0.00 C ATOM 100 C THR A 7 50.173 10.461 -4.874 1.00 0.00 C ATOM 101 O THR A 7 50.065 11.411 -4.089 1.00 0.00 O ATOM 102 CB THR A 7 52.585 9.926 -5.582 1.00 0.00 C ATOM 103 OG1 THR A 7 53.607 10.294 -6.527 1.00 0.00 O ATOM 104 CG2 THR A 7 52.554 8.388 -5.472 1.00 0.00 C ATOM 0 H THR A 7 52.243 12.347 -6.162 1.00 0.00 H new ATOM 0 HA THR A 7 50.830 9.933 -6.867 1.00 0.00 H new ATOM 0 HB THR A 7 52.799 10.334 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.466 9.919 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.533 8.026 -5.158 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.804 8.091 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.303 7.959 -6.442 1.00 0.00 H new ATOM 112 N GLU A 8 49.414 9.353 -4.793 1.00 0.00 N ATOM 113 CA GLU A 8 48.384 9.141 -3.746 1.00 0.00 C ATOM 114 C GLU A 8 49.034 8.924 -2.352 1.00 0.00 C ATOM 115 O GLU A 8 50.198 8.519 -2.263 1.00 0.00 O ATOM 116 CB GLU A 8 47.482 7.934 -4.144 1.00 0.00 C ATOM 117 CG GLU A 8 46.311 7.635 -3.182 1.00 0.00 C ATOM 118 CD GLU A 8 45.397 6.505 -3.683 1.00 0.00 C ATOM 119 OE1 GLU A 8 44.509 6.780 -4.521 1.00 0.00 O ATOM 120 OE2 GLU A 8 45.567 5.343 -3.257 1.00 0.00 O ATOM 0 H GLU A 8 49.493 8.576 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 8 47.765 10.035 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 8 47.075 8.119 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 8 48.107 7.044 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 8 46.711 7.365 -2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 8 45.719 8.540 -3.046 1.00 0.00 H new ATOM 127 N LEU A 9 48.260 9.217 -1.281 1.00 0.00 N ATOM 128 CA LEU A 9 48.701 9.082 0.128 1.00 0.00 C ATOM 129 C LEU A 9 49.092 7.611 0.470 1.00 0.00 C ATOM 130 O LEU A 9 48.492 6.677 -0.081 1.00 0.00 O ATOM 131 CB LEU A 9 47.566 9.561 1.085 1.00 0.00 C ATOM 132 CG LEU A 9 46.958 10.977 0.806 1.00 0.00 C ATOM 133 CD1 LEU A 9 45.894 11.352 1.861 1.00 0.00 C ATOM 134 CD2 LEU A 9 48.043 12.069 0.706 1.00 0.00 C ATOM 0 H LEU A 9 47.303 9.557 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 9 49.586 9.704 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 9 46.758 8.831 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 9 47.954 9.553 2.103 1.00 0.00 H new ATOM 0 HG LEU A 9 46.467 10.920 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 9 45.493 12.340 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 9 45.087 10.619 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 9 46.350 11.361 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 9 47.572 13.033 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 9 48.597 12.118 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 9 48.727 11.829 -0.108 1.00 0.00 H new ATOM 146 N PRO A 10 50.108 7.379 1.373 1.00 0.00 N ATOM 147 CA PRO A 10 50.540 6.014 1.753 1.00 0.00 C ATOM 148 C PRO A 10 49.582 5.343 2.761 1.00 0.00 C ATOM 149 O PRO A 10 48.702 5.995 3.342 1.00 0.00 O ATOM 150 CB PRO A 10 51.942 6.255 2.359 1.00 0.00 C ATOM 151 CG PRO A 10 51.842 7.614 2.991 1.00 0.00 C ATOM 152 CD PRO A 10 50.914 8.418 2.091 1.00 0.00 C ATOM 0 HA PRO A 10 50.546 5.325 0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 10 52.194 5.491 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 10 52.717 6.228 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 10 51.444 7.547 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 10 52.822 8.085 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 10 50.277 9.086 2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 10 51.475 9.039 1.393 1.00 0.00 H new ATOM 160 N HIS A 11 49.765 4.026 2.955 1.00 0.00 N ATOM 161 CA HIS A 11 48.920 3.215 3.857 1.00 0.00 C ATOM 162 C HIS A 11 49.567 3.144 5.263 1.00 0.00 C ATOM 163 O HIS A 11 50.796 3.096 5.355 1.00 0.00 O ATOM 164 CB HIS A 11 48.725 1.789 3.270 1.00 0.00 C ATOM 165 CG HIS A 11 48.038 1.748 1.920 1.00 0.00 C ATOM 166 ND1 HIS A 11 48.023 0.626 1.122 1.00 0.00 N ATOM 167 CD2 HIS A 11 47.328 2.690 1.237 1.00 0.00 C ATOM 168 CE1 HIS A 11 47.357 0.879 0.015 1.00 0.00 C ATOM 169 NE2 HIS A 11 46.925 2.121 0.058 1.00 0.00 N ATOM 0 H HIS A 11 50.501 3.492 2.493 1.00 0.00 H new ATOM 0 HA HIS A 11 47.941 3.685 3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 11 49.701 1.311 3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 11 48.144 1.197 3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 11 47.121 3.698 1.565 1.00 0.00 H new ATOM 0 HE1 HIS A 11 47.193 0.183 -0.794 1.00 0.00 H new ATOM 0 HE2 HIS A 11 46.379 2.585 -0.668 1.00 0.00 H new ATOM 178 N PRO A 12 48.755 3.155 6.377 1.00 0.00 N ATOM 179 CA PRO A 12 49.277 3.041 7.771 1.00 0.00 C ATOM 180 C PRO A 12 50.108 1.757 8.023 1.00 0.00 C ATOM 181 O PRO A 12 49.824 0.699 7.445 1.00 0.00 O ATOM 182 CB PRO A 12 47.987 3.051 8.639 1.00 0.00 C ATOM 183 CG PRO A 12 46.978 3.760 7.789 1.00 0.00 C ATOM 184 CD PRO A 12 47.276 3.324 6.373 1.00 0.00 C ATOM 0 HA PRO A 12 49.973 3.848 8.001 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.663 2.039 8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 12 48.147 3.570 9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.962 3.492 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 12 47.065 4.841 7.894 1.00 0.00 H new ATOM 0 HD2 PRO A 12 46.765 2.395 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 12 46.957 4.071 5.646 1.00 0.00 H new ATOM 192 N LYS A 13 51.132 1.879 8.892 1.00 0.00 N ATOM 193 CA LYS A 13 51.969 0.748 9.338 1.00 0.00 C ATOM 194 C LYS A 13 51.137 -0.239 10.184 1.00 0.00 C ATOM 195 O LYS A 13 51.374 -1.452 10.169 1.00 0.00 O ATOM 196 CB LYS A 13 53.199 1.278 10.135 1.00 0.00 C ATOM 197 CG LYS A 13 52.873 1.967 11.488 1.00 0.00 C ATOM 198 CD LYS A 13 54.106 2.623 12.159 1.00 0.00 C ATOM 199 CE LYS A 13 54.632 3.834 11.371 1.00 0.00 C ATOM 200 NZ LYS A 13 55.828 4.442 12.020 1.00 0.00 N ATOM 0 H LYS A 13 51.403 2.771 9.306 1.00 0.00 H new ATOM 0 HA LYS A 13 52.335 0.209 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 13 53.873 0.443 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 13 53.739 1.987 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 13 52.110 2.728 11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 13 52.448 1.230 12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 13 53.841 2.938 13.168 1.00 0.00 H new ATOM 0 HD3 LYS A 13 54.900 1.883 12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 13 54.887 3.525 10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 13 53.844 4.583 11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 56.152 5.255 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.579 4.760 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.589 3.735 12.077 1.00 0.00 H new ATOM 214 N GLU A 14 50.149 0.320 10.903 1.00 0.00 N ATOM 215 CA GLU A 14 49.175 -0.435 11.690 1.00 0.00 C ATOM 216 C GLU A 14 47.768 -0.066 11.198 1.00 0.00 C ATOM 217 O GLU A 14 47.231 0.976 11.582 1.00 0.00 O ATOM 218 CB GLU A 14 49.327 -0.124 13.209 1.00 0.00 C ATOM 219 CG GLU A 14 50.683 -0.538 13.821 1.00 0.00 C ATOM 220 CD GLU A 14 50.786 -0.261 15.335 1.00 0.00 C ATOM 221 OE1 GLU A 14 50.248 -1.061 16.128 1.00 0.00 O ATOM 222 OE2 GLU A 14 51.409 0.747 15.741 1.00 0.00 O ATOM 0 H GLU A 14 50.007 1.329 10.950 1.00 0.00 H new ATOM 0 HA GLU A 14 49.346 -1.504 11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 14 49.186 0.946 13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 14 48.529 -0.631 13.751 1.00 0.00 H new ATOM 0 HG2 GLU A 14 50.843 -1.601 13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 14 51.482 -0.004 13.307 1.00 0.00 H new ATOM 229 N ILE A 15 47.190 -0.902 10.311 1.00 0.00 N ATOM 230 CA ILE A 15 45.810 -0.715 9.811 1.00 0.00 C ATOM 231 C ILE A 15 44.829 -1.369 10.815 1.00 0.00 C ATOM 232 O ILE A 15 44.217 -2.402 10.529 1.00 0.00 O ATOM 233 CB ILE A 15 45.629 -1.284 8.337 1.00 0.00 C ATOM 234 CG1 ILE A 15 46.696 -0.662 7.377 1.00 0.00 C ATOM 235 CG2 ILE A 15 44.200 -1.026 7.789 1.00 0.00 C ATOM 236 CD1 ILE A 15 46.603 -1.106 5.919 1.00 0.00 C ATOM 0 H ILE A 15 47.661 -1.719 9.923 1.00 0.00 H new ATOM 0 HA ILE A 15 45.592 0.351 9.741 1.00 0.00 H new ATOM 0 HB ILE A 15 45.775 -2.363 8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 15 46.605 0.424 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 15 47.688 -0.912 7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 15 44.119 -1.430 6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 15 43.469 -1.513 8.435 1.00 0.00 H new ATOM 0 HG23 ILE A 15 44.007 0.047 7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 15 47.386 -0.618 5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 15 46.728 -2.187 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 15 45.628 -0.830 5.516 1.00 0.00 H new ATOM 248 N ASP A 16 44.769 -0.763 12.025 1.00 0.00 N ATOM 249 CA ASP A 16 43.911 -1.188 13.157 1.00 0.00 C ATOM 250 C ASP A 16 44.192 -2.649 13.621 1.00 0.00 C ATOM 251 O ASP A 16 43.900 -3.615 12.900 1.00 0.00 O ATOM 252 CB ASP A 16 42.405 -0.991 12.822 1.00 0.00 C ATOM 253 CG ASP A 16 41.460 -1.485 13.933 1.00 0.00 C ATOM 254 OD1 ASP A 16 41.367 -0.826 14.988 1.00 0.00 O ATOM 255 OD2 ASP A 16 40.818 -2.549 13.759 1.00 0.00 O ATOM 0 H ASP A 16 45.332 0.058 12.247 1.00 0.00 H new ATOM 0 HA ASP A 16 44.169 -0.542 13.996 1.00 0.00 H new ATOM 0 HB2 ASP A 16 42.217 0.067 12.639 1.00 0.00 H new ATOM 0 HB3 ASP A 16 42.174 -1.520 11.897 1.00 0.00 H new ATOM 260 N ASN A 17 44.741 -2.799 14.840 1.00 0.00 N ATOM 261 CA ASN A 17 45.000 -4.125 15.446 1.00 0.00 C ATOM 262 C ASN A 17 44.734 -4.096 16.959 1.00 0.00 C ATOM 263 O ASN A 17 45.249 -3.233 17.678 1.00 0.00 O ATOM 264 CB ASN A 17 46.448 -4.613 15.134 1.00 0.00 C ATOM 265 CG ASN A 17 47.557 -3.685 15.648 1.00 0.00 C ATOM 266 OD1 ASN A 17 48.085 -3.863 16.748 1.00 0.00 O ATOM 267 ND2 ASN A 17 47.907 -2.681 14.863 1.00 0.00 N ATOM 0 H ASN A 17 45.017 -2.015 15.431 1.00 0.00 H new ATOM 0 HA ASN A 17 44.310 -4.840 14.999 1.00 0.00 H new ATOM 0 HB2 ASN A 17 46.587 -5.601 15.572 1.00 0.00 H new ATOM 0 HB3 ASN A 17 46.556 -4.724 14.055 1.00 0.00 H new ATOM 0 HD21 ASN A 17 48.632 -2.028 15.162 1.00 0.00 H new ATOM 0 HD22 ASN A 17 47.453 -2.559 13.958 1.00 0.00 H new ATOM 274 N GLU A 18 43.886 -5.028 17.424 1.00 0.00 N ATOM 275 CA GLU A 18 43.614 -5.239 18.852 1.00 0.00 C ATOM 276 C GLU A 18 44.412 -6.466 19.333 1.00 0.00 C ATOM 277 O GLU A 18 43.871 -7.576 19.446 1.00 0.00 O ATOM 278 CB GLU A 18 42.090 -5.435 19.092 1.00 0.00 C ATOM 279 CG GLU A 18 41.197 -4.275 18.614 1.00 0.00 C ATOM 280 CD GLU A 18 39.701 -4.528 18.892 1.00 0.00 C ATOM 281 OE1 GLU A 18 39.065 -5.276 18.118 1.00 0.00 O ATOM 282 OE2 GLU A 18 39.164 -3.998 19.892 1.00 0.00 O ATOM 0 H GLU A 18 43.367 -5.660 16.814 1.00 0.00 H new ATOM 0 HA GLU A 18 43.925 -4.363 19.421 1.00 0.00 H new ATOM 0 HB2 GLU A 18 41.773 -6.348 18.588 1.00 0.00 H new ATOM 0 HB3 GLU A 18 41.923 -5.586 20.158 1.00 0.00 H new ATOM 0 HG2 GLU A 18 41.505 -3.355 19.111 1.00 0.00 H new ATOM 0 HG3 GLU A 18 41.344 -4.124 17.545 1.00 0.00 H new ATOM 289 N THR A 19 45.722 -6.260 19.550 1.00 0.00 N ATOM 290 CA THR A 19 46.633 -7.317 20.006 1.00 0.00 C ATOM 291 C THR A 19 46.380 -7.631 21.502 1.00 0.00 C ATOM 292 O THR A 19 46.704 -6.823 22.388 1.00 0.00 O ATOM 293 CB THR A 19 48.120 -6.896 19.765 1.00 0.00 C ATOM 294 OG1 THR A 19 48.294 -6.525 18.384 1.00 0.00 O ATOM 295 CG2 THR A 19 49.120 -8.014 20.116 1.00 0.00 C ATOM 0 H THR A 19 46.176 -5.357 19.414 1.00 0.00 H new ATOM 0 HA THR A 19 46.441 -8.222 19.430 1.00 0.00 H new ATOM 0 HB THR A 19 48.327 -6.053 20.424 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.115 -5.567 18.278 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.136 -7.666 19.929 1.00 0.00 H new ATOM 0 HG22 THR A 19 49.015 -8.279 21.168 1.00 0.00 H new ATOM 0 HG23 THR A 19 48.918 -8.890 19.499 1.00 0.00 H new ATOM 303 N LEU A 20 45.745 -8.791 21.757 1.00 0.00 N ATOM 304 CA LEU A 20 45.425 -9.268 23.117 1.00 0.00 C ATOM 305 C LEU A 20 46.669 -9.828 23.845 1.00 0.00 C ATOM 306 O LEU A 20 47.778 -9.865 23.292 1.00 0.00 O ATOM 307 CB LEU A 20 44.300 -10.347 23.056 1.00 0.00 C ATOM 308 CG LEU A 20 42.886 -9.863 22.589 1.00 0.00 C ATOM 309 CD1 LEU A 20 41.877 -11.034 22.559 1.00 0.00 C ATOM 310 CD2 LEU A 20 42.360 -8.707 23.473 1.00 0.00 C ATOM 0 H LEU A 20 45.438 -9.427 21.021 1.00 0.00 H new ATOM 0 HA LEU A 20 45.073 -8.411 23.691 1.00 0.00 H new ATOM 0 HB2 LEU A 20 44.627 -11.141 22.385 1.00 0.00 H new ATOM 0 HB3 LEU A 20 44.198 -10.789 24.047 1.00 0.00 H new ATOM 0 HG LEU A 20 42.993 -9.481 21.574 1.00 0.00 H new ATOM 0 HD11 LEU A 20 40.904 -10.668 22.231 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.229 -11.800 21.867 1.00 0.00 H new ATOM 0 HD13 LEU A 20 41.786 -11.461 23.558 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.377 -8.397 23.119 1.00 0.00 H new ATOM 0 HD22 LEU A 20 42.284 -9.045 24.507 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.048 -7.864 23.417 1.00 0.00 H new ATOM 322 N LEU A 21 46.448 -10.269 25.097 1.00 0.00 N ATOM 323 CA LEU A 21 47.497 -10.790 25.996 1.00 0.00 C ATOM 324 C LEU A 21 48.020 -12.167 25.495 1.00 0.00 C ATOM 325 O LEU A 21 47.218 -12.978 25.008 1.00 0.00 O ATOM 326 CB LEU A 21 46.936 -10.915 27.455 1.00 0.00 C ATOM 327 CG LEU A 21 46.689 -9.579 28.257 1.00 0.00 C ATOM 328 CD1 LEU A 21 45.657 -8.652 27.581 1.00 0.00 C ATOM 329 CD2 LEU A 21 46.269 -9.881 29.715 1.00 0.00 C ATOM 0 H LEU A 21 45.520 -10.274 25.521 1.00 0.00 H new ATOM 0 HA LEU A 21 48.333 -10.091 25.997 1.00 0.00 H new ATOM 0 HB2 LEU A 21 45.992 -11.458 27.407 1.00 0.00 H new ATOM 0 HB3 LEU A 21 47.628 -11.530 28.030 1.00 0.00 H new ATOM 0 HG LEU A 21 47.639 -9.044 28.262 1.00 0.00 H new ATOM 0 HD11 LEU A 21 45.531 -7.750 28.180 1.00 0.00 H new ATOM 0 HD12 LEU A 21 46.009 -8.380 26.586 1.00 0.00 H new ATOM 0 HD13 LEU A 21 44.701 -9.170 27.499 1.00 0.00 H new ATOM 0 HD21 LEU A 21 46.104 -8.944 30.248 1.00 0.00 H new ATOM 0 HD22 LEU A 21 45.349 -10.465 29.715 1.00 0.00 H new ATOM 0 HD23 LEU A 21 47.058 -10.447 30.211 1.00 0.00 H new ATOM 341 N PRO A 22 49.364 -12.457 25.606 1.00 0.00 N ATOM 342 CA PRO A 22 49.947 -13.757 25.169 1.00 0.00 C ATOM 343 C PRO A 22 49.655 -14.895 26.177 1.00 0.00 C ATOM 344 O PRO A 22 49.357 -14.633 27.348 1.00 0.00 O ATOM 345 CB PRO A 22 51.461 -13.438 25.089 1.00 0.00 C ATOM 346 CG PRO A 22 51.673 -12.419 26.170 1.00 0.00 C ATOM 347 CD PRO A 22 50.420 -11.554 26.165 1.00 0.00 C ATOM 0 HA PRO A 22 49.529 -14.118 24.229 1.00 0.00 H new ATOM 0 HB2 PRO A 22 52.066 -14.329 25.256 1.00 0.00 H new ATOM 0 HB3 PRO A 22 51.735 -13.045 24.110 1.00 0.00 H new ATOM 0 HG2 PRO A 22 51.815 -12.898 27.139 1.00 0.00 H new ATOM 0 HG3 PRO A 22 52.564 -11.821 25.976 1.00 0.00 H new ATOM 0 HD2 PRO A 22 50.165 -11.214 27.169 1.00 0.00 H new ATOM 0 HD3 PRO A 22 50.551 -10.664 25.550 1.00 0.00 H new ATOM 355 N ALA A 23 49.761 -16.155 25.708 1.00 0.00 N ATOM 356 CA ALA A 23 49.465 -17.345 26.533 1.00 0.00 C ATOM 357 C ALA A 23 50.502 -17.506 27.658 1.00 0.00 C ATOM 358 O ALA A 23 50.139 -17.576 28.838 1.00 0.00 O ATOM 359 CB ALA A 23 49.406 -18.605 25.659 1.00 0.00 C ATOM 0 H ALA A 23 50.051 -16.376 24.755 1.00 0.00 H new ATOM 0 HA ALA A 23 48.488 -17.204 26.996 1.00 0.00 H new ATOM 0 HB1 ALA A 23 49.187 -19.471 26.284 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.623 -18.491 24.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 50.366 -18.749 25.163 1.00 0.00 H new ATOM 365 N ALA A 24 51.790 -17.531 27.268 1.00 0.00 N ATOM 366 CA ALA A 24 52.920 -17.651 28.208 1.00 0.00 C ATOM 367 C ALA A 24 54.246 -17.418 27.479 1.00 0.00 C ATOM 368 O ALA A 24 54.423 -17.875 26.348 1.00 0.00 O ATOM 369 CB ALA A 24 52.949 -19.029 28.896 1.00 0.00 C ATOM 0 H ALA A 24 52.077 -17.468 26.291 1.00 0.00 H new ATOM 0 HA ALA A 24 52.783 -16.890 28.976 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.796 -19.076 29.580 1.00 0.00 H new ATOM 0 HB2 ALA A 24 52.024 -19.177 29.453 1.00 0.00 H new ATOM 0 HB3 ALA A 24 53.047 -19.810 28.142 1.00 0.00 H new ATOM 375 N GLU A 25 55.191 -16.735 28.152 1.00 0.00 N ATOM 376 CA GLU A 25 56.560 -16.520 27.637 1.00 0.00 C ATOM 377 C GLU A 25 57.515 -17.609 28.176 1.00 0.00 C ATOM 378 O GLU A 25 58.679 -17.344 28.496 1.00 0.00 O ATOM 379 CB GLU A 25 57.042 -15.086 28.006 1.00 0.00 C ATOM 380 CG GLU A 25 56.218 -13.953 27.357 1.00 0.00 C ATOM 381 CD GLU A 25 56.841 -12.558 27.562 1.00 0.00 C ATOM 382 OE1 GLU A 25 56.609 -11.942 28.627 1.00 0.00 O ATOM 383 OE2 GLU A 25 57.584 -12.083 26.674 1.00 0.00 O ATOM 0 H GLU A 25 55.029 -16.316 29.068 1.00 0.00 H new ATOM 0 HA GLU A 25 56.558 -16.602 26.550 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.006 -14.971 29.089 1.00 0.00 H new ATOM 0 HB3 GLU A 25 58.085 -14.978 27.708 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.122 -14.148 26.289 1.00 0.00 H new ATOM 0 HG3 GLU A 25 55.211 -13.959 27.774 1.00 0.00 H new ATOM 390 N ARG A 26 57.004 -18.853 28.218 1.00 0.00 N ATOM 391 CA ARG A 26 57.739 -20.030 28.708 1.00 0.00 C ATOM 392 C ARG A 26 58.467 -20.705 27.532 1.00 0.00 C ATOM 393 O ARG A 26 57.885 -21.545 26.838 1.00 0.00 O ATOM 394 CB ARG A 26 56.741 -21.017 29.389 1.00 0.00 C ATOM 395 CG ARG A 26 57.361 -22.317 29.977 1.00 0.00 C ATOM 396 CD ARG A 26 58.096 -22.118 31.320 1.00 0.00 C ATOM 397 NE ARG A 26 59.298 -21.254 31.227 1.00 0.00 N ATOM 398 CZ ARG A 26 60.573 -21.691 31.192 1.00 0.00 C ATOM 399 NH1 ARG A 26 60.850 -22.992 31.171 1.00 0.00 N ATOM 400 NH2 ARG A 26 61.570 -20.819 31.173 1.00 0.00 N ATOM 0 H ARG A 26 56.057 -19.070 27.908 1.00 0.00 H new ATOM 0 HA ARG A 26 58.482 -19.727 29.445 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.228 -20.487 30.192 1.00 0.00 H new ATOM 0 HB3 ARG A 26 55.983 -21.298 28.658 1.00 0.00 H new ATOM 0 HG2 ARG A 26 56.569 -23.053 30.115 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.060 -22.733 29.251 1.00 0.00 H new ATOM 0 HD2 ARG A 26 57.403 -21.683 32.041 1.00 0.00 H new ATOM 0 HD3 ARG A 26 58.391 -23.093 31.709 1.00 0.00 H new ATOM 0 HE ARG A 26 59.148 -20.246 31.186 1.00 0.00 H new ATOM 0 HH11 ARG A 26 60.092 -23.675 31.181 1.00 0.00 H new ATOM 0 HH12 ARG A 26 61.820 -23.307 31.145 1.00 0.00 H new ATOM 0 HH21 ARG A 26 61.373 -19.818 31.185 1.00 0.00 H new ATOM 0 HH22 ARG A 26 62.535 -21.148 31.147 1.00 0.00 H new ATOM 414 N ARG A 27 59.727 -20.294 27.279 1.00 0.00 N ATOM 415 CA ARG A 27 60.533 -20.854 26.176 1.00 0.00 C ATOM 416 C ARG A 27 61.143 -22.205 26.618 1.00 0.00 C ATOM 417 O ARG A 27 62.203 -22.248 27.256 1.00 0.00 O ATOM 418 CB ARG A 27 61.657 -19.884 25.685 1.00 0.00 C ATOM 419 CG ARG A 27 61.177 -18.519 25.114 1.00 0.00 C ATOM 420 CD ARG A 27 60.925 -17.461 26.202 1.00 0.00 C ATOM 421 NE ARG A 27 60.458 -16.174 25.642 1.00 0.00 N ATOM 422 CZ ARG A 27 60.317 -15.034 26.349 1.00 0.00 C ATOM 423 NH1 ARG A 27 60.629 -14.983 27.642 1.00 0.00 N ATOM 424 NH2 ARG A 27 59.859 -13.944 25.754 1.00 0.00 N ATOM 0 H ARG A 27 60.207 -19.577 27.823 1.00 0.00 H new ATOM 0 HA ARG A 27 59.864 -21.003 25.328 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.332 -19.690 26.519 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.239 -20.393 24.916 1.00 0.00 H new ATOM 0 HG2 ARG A 27 61.924 -18.142 24.416 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.259 -18.673 24.546 1.00 0.00 H new ATOM 0 HD2 ARG A 27 60.183 -17.838 26.906 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.844 -17.297 26.765 1.00 0.00 H new ATOM 0 HE ARG A 27 60.226 -16.147 24.649 1.00 0.00 H new ATOM 0 HH11 ARG A 27 60.982 -15.815 28.115 1.00 0.00 H new ATOM 0 HH12 ARG A 27 60.516 -14.112 28.160 1.00 0.00 H new ATOM 0 HH21 ARG A 27 59.614 -13.968 24.764 1.00 0.00 H new ATOM 0 HH22 ARG A 27 59.751 -13.080 26.285 1.00 0.00 H new ATOM 438 N VAL A 28 60.407 -23.285 26.337 1.00 0.00 N ATOM 439 CA VAL A 28 60.871 -24.678 26.531 1.00 0.00 C ATOM 440 C VAL A 28 61.151 -25.311 25.162 1.00 0.00 C ATOM 441 O VAL A 28 60.687 -24.800 24.145 1.00 0.00 O ATOM 442 CB VAL A 28 59.808 -25.548 27.311 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.650 -25.061 28.764 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.451 -25.556 26.579 1.00 0.00 C ATOM 0 H VAL A 28 59.460 -23.224 25.964 1.00 0.00 H new ATOM 0 HA VAL A 28 61.781 -24.652 27.131 1.00 0.00 H new ATOM 0 HB VAL A 28 60.177 -26.573 27.341 1.00 0.00 H new ATOM 0 HG11 VAL A 28 58.912 -25.678 29.276 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.607 -25.137 29.279 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.318 -24.023 28.766 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.739 -26.163 27.139 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.075 -24.536 26.499 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.578 -25.975 25.581 1.00 0.00 H new ATOM 454 N ASN A 29 61.904 -26.426 25.149 1.00 0.00 N ATOM 455 CA ASN A 29 62.195 -27.187 23.908 1.00 0.00 C ATOM 456 C ASN A 29 60.918 -27.828 23.317 1.00 0.00 C ATOM 457 O ASN A 29 59.897 -27.951 24.000 1.00 0.00 O ATOM 458 CB ASN A 29 63.252 -28.295 24.170 1.00 0.00 C ATOM 459 CG ASN A 29 64.592 -27.747 24.661 1.00 0.00 C ATOM 460 OD1 ASN A 29 65.441 -27.347 23.863 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.804 -27.746 25.972 1.00 0.00 N ATOM 0 H ASN A 29 62.327 -26.826 25.987 1.00 0.00 H new ATOM 0 HA ASN A 29 62.591 -26.473 23.186 1.00 0.00 H new ATOM 0 HB2 ASN A 29 62.860 -28.994 24.909 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.413 -28.859 23.251 1.00 0.00 H new ATOM 0 HD21 ASN A 29 65.691 -27.407 26.345 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.080 -28.084 26.606 1.00 0.00 H new ATOM 468 N SER A 30 61.017 -28.245 22.038 1.00 0.00 N ATOM 469 CA SER A 30 59.933 -28.937 21.295 1.00 0.00 C ATOM 470 C SER A 30 59.465 -30.238 21.986 1.00 0.00 C ATOM 471 O SER A 30 58.298 -30.638 21.843 1.00 0.00 O ATOM 472 CB SER A 30 60.409 -29.226 19.852 1.00 0.00 C ATOM 473 OG SER A 30 59.408 -29.863 19.078 1.00 0.00 O ATOM 0 H SER A 30 61.861 -28.111 21.481 1.00 0.00 H new ATOM 0 HA SER A 30 59.068 -28.274 21.278 1.00 0.00 H new ATOM 0 HB2 SER A 30 60.698 -28.291 19.372 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.298 -29.856 19.883 1.00 0.00 H new ATOM 0 HG SER A 30 59.748 -30.026 18.174 1.00 0.00 H new ATOM 479 N GLN A 31 60.382 -30.889 22.734 1.00 0.00 N ATOM 480 CA GLN A 31 60.070 -32.108 23.513 1.00 0.00 C ATOM 481 C GLN A 31 58.952 -31.824 24.550 1.00 0.00 C ATOM 482 O GLN A 31 58.127 -32.693 24.843 1.00 0.00 O ATOM 483 CB GLN A 31 61.360 -32.658 24.200 1.00 0.00 C ATOM 484 CG GLN A 31 61.923 -31.794 25.351 1.00 0.00 C ATOM 485 CD GLN A 31 63.292 -32.268 25.856 1.00 0.00 C ATOM 486 OE1 GLN A 31 64.336 -31.782 25.415 1.00 0.00 O ATOM 487 NE2 GLN A 31 63.297 -33.255 26.743 1.00 0.00 N ATOM 0 H GLN A 31 61.353 -30.587 22.815 1.00 0.00 H new ATOM 0 HA GLN A 31 59.700 -32.874 22.832 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.147 -33.654 24.588 1.00 0.00 H new ATOM 0 HB3 GLN A 31 62.135 -32.770 23.441 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.007 -30.761 25.013 1.00 0.00 H new ATOM 0 HG3 GLN A 31 61.216 -31.801 26.180 1.00 0.00 H new ATOM 0 HE21 GLN A 31 62.416 -33.635 27.088 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.182 -33.634 27.080 1.00 0.00 H new ATOM 496 N ALA A 32 58.935 -30.582 25.066 1.00 0.00 N ATOM 497 CA ALA A 32 57.924 -30.098 26.016 1.00 0.00 C ATOM 498 C ALA A 32 56.981 -29.090 25.321 1.00 0.00 C ATOM 499 O ALA A 32 56.567 -28.101 25.928 1.00 0.00 O ATOM 500 CB ALA A 32 58.637 -29.480 27.233 1.00 0.00 C ATOM 0 H ALA A 32 59.634 -29.878 24.830 1.00 0.00 H new ATOM 0 HA ALA A 32 57.306 -30.925 26.366 1.00 0.00 H new ATOM 0 HB1 ALA A 32 57.895 -29.118 27.944 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.260 -30.235 27.712 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.262 -28.649 26.905 1.00 0.00 H new ATOM 506 N LEU A 33 56.613 -29.399 24.053 1.00 0.00 N ATOM 507 CA LEU A 33 55.721 -28.566 23.190 1.00 0.00 C ATOM 508 C LEU A 33 54.428 -28.050 23.879 1.00 0.00 C ATOM 509 O LEU A 33 53.809 -27.093 23.406 1.00 0.00 O ATOM 510 CB LEU A 33 55.333 -29.345 21.892 1.00 0.00 C ATOM 511 CG LEU A 33 54.264 -30.492 22.017 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.829 -31.006 20.626 1.00 0.00 C ATOM 513 CD2 LEU A 33 54.755 -31.653 22.911 1.00 0.00 C ATOM 0 H LEU A 33 56.931 -30.249 23.587 1.00 0.00 H new ATOM 0 HA LEU A 33 56.313 -27.681 22.957 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.964 -28.622 21.165 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.243 -29.779 21.477 1.00 0.00 H new ATOM 0 HG LEU A 33 53.391 -30.060 22.506 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.090 -31.798 20.746 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.393 -30.186 20.055 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.697 -31.397 20.095 1.00 0.00 H new ATOM 0 HD21 LEU A 33 53.983 -32.421 22.967 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.662 -32.081 22.485 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.966 -31.277 23.912 1.00 0.00 H new ATOM 525 N LEU A 34 54.000 -28.710 24.960 1.00 0.00 N ATOM 526 CA LEU A 34 52.852 -28.260 25.773 1.00 0.00 C ATOM 527 C LEU A 34 53.273 -28.047 27.232 1.00 0.00 C ATOM 528 O LEU A 34 52.774 -27.137 27.905 1.00 0.00 O ATOM 529 CB LEU A 34 51.696 -29.289 25.655 1.00 0.00 C ATOM 530 CG LEU A 34 51.097 -29.452 24.218 1.00 0.00 C ATOM 531 CD1 LEU A 34 50.025 -30.556 24.152 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.542 -28.109 23.700 1.00 0.00 C ATOM 0 H LEU A 34 54.434 -29.568 25.300 1.00 0.00 H new ATOM 0 HA LEU A 34 52.497 -27.301 25.397 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.058 -30.260 25.993 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.896 -28.993 26.334 1.00 0.00 H new ATOM 0 HG LEU A 34 51.912 -29.764 23.565 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.641 -30.630 23.135 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.466 -31.509 24.443 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.209 -30.311 24.831 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.131 -28.247 22.700 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.757 -27.757 24.370 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.345 -27.373 23.664 1.00 0.00 H new ATOM 544 N GLY A 35 54.230 -28.868 27.693 1.00 0.00 N ATOM 545 CA GLY A 35 54.636 -28.894 29.096 1.00 0.00 C ATOM 546 C GLY A 35 53.524 -29.410 30.018 1.00 0.00 C ATOM 547 O GLY A 35 52.676 -30.196 29.566 1.00 0.00 O ATOM 0 H GLY A 35 54.738 -29.527 27.103 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.517 -29.527 29.205 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.925 -27.890 29.406 1.00 0.00 H new ATOM 551 N PRO A 36 53.487 -28.995 31.324 1.00 0.00 N ATOM 552 CA PRO A 36 52.346 -29.294 32.229 1.00 0.00 C ATOM 553 C PRO A 36 51.146 -28.333 32.010 1.00 0.00 C ATOM 554 O PRO A 36 50.037 -28.600 32.482 1.00 0.00 O ATOM 555 CB PRO A 36 52.976 -29.098 33.632 1.00 0.00 C ATOM 556 CG PRO A 36 53.992 -28.009 33.426 1.00 0.00 C ATOM 557 CD PRO A 36 54.565 -28.231 32.032 1.00 0.00 C ATOM 0 HA PRO A 36 51.925 -30.286 32.066 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.227 -28.810 34.369 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.442 -30.015 33.992 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.531 -27.025 33.507 1.00 0.00 H new ATOM 0 HG3 PRO A 36 54.775 -28.057 34.183 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.781 -27.287 31.532 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.498 -28.794 32.067 1.00 0.00 H new ATOM 565 N ASP A 37 51.389 -27.232 31.282 1.00 0.00 N ATOM 566 CA ASP A 37 50.439 -26.109 31.145 1.00 0.00 C ATOM 567 C ASP A 37 49.505 -26.307 29.949 1.00 0.00 C ATOM 568 O ASP A 37 48.298 -26.056 30.033 1.00 0.00 O ATOM 569 CB ASP A 37 51.221 -24.789 30.956 1.00 0.00 C ATOM 570 CG ASP A 37 52.245 -24.535 32.070 1.00 0.00 C ATOM 571 OD1 ASP A 37 51.881 -23.945 33.111 1.00 0.00 O ATOM 572 OD2 ASP A 37 53.423 -24.931 31.906 1.00 0.00 O ATOM 0 H ASP A 37 52.258 -27.092 30.766 1.00 0.00 H new ATOM 0 HA ASP A 37 49.836 -26.069 32.052 1.00 0.00 H new ATOM 0 HB2 ASP A 37 51.735 -24.812 29.995 1.00 0.00 H new ATOM 0 HB3 ASP A 37 50.517 -23.958 30.921 1.00 0.00 H new ATOM 577 N GLY A 38 50.095 -26.754 28.833 1.00 0.00 N ATOM 578 CA GLY A 38 49.404 -26.840 27.547 1.00 0.00 C ATOM 579 C GLY A 38 49.623 -25.610 26.666 1.00 0.00 C ATOM 580 O GLY A 38 49.364 -25.654 25.467 1.00 0.00 O ATOM 0 H GLY A 38 51.066 -27.066 28.800 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.748 -27.727 27.015 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.336 -26.968 27.723 1.00 0.00 H new ATOM 584 N LYS A 39 50.103 -24.507 27.268 1.00 0.00 N ATOM 585 CA LYS A 39 50.318 -23.222 26.574 1.00 0.00 C ATOM 586 C LYS A 39 51.734 -22.684 26.866 1.00 0.00 C ATOM 587 O LYS A 39 51.975 -22.029 27.888 1.00 0.00 O ATOM 588 CB LYS A 39 49.197 -22.196 26.960 1.00 0.00 C ATOM 589 CG LYS A 39 48.920 -22.037 28.474 1.00 0.00 C ATOM 590 CD LYS A 39 47.932 -20.888 28.783 1.00 0.00 C ATOM 591 CE LYS A 39 46.552 -21.078 28.132 1.00 0.00 C ATOM 592 NZ LYS A 39 45.848 -22.289 28.635 1.00 0.00 N ATOM 0 H LYS A 39 50.355 -24.481 28.256 1.00 0.00 H new ATOM 0 HA LYS A 39 50.250 -23.380 25.498 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.469 -21.221 26.555 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.271 -22.497 26.470 1.00 0.00 H new ATOM 0 HG2 LYS A 39 48.518 -22.971 28.866 1.00 0.00 H new ATOM 0 HG3 LYS A 39 49.860 -21.852 28.994 1.00 0.00 H new ATOM 0 HD2 LYS A 39 47.808 -20.806 29.863 1.00 0.00 H new ATOM 0 HD3 LYS A 39 48.361 -19.947 28.439 1.00 0.00 H new ATOM 0 HE2 LYS A 39 45.938 -20.198 28.325 1.00 0.00 H new ATOM 0 HE3 LYS A 39 46.671 -21.153 27.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 44.916 -22.364 28.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 46.411 -23.135 28.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 45.724 -22.216 29.665 1.00 0.00 H new ATOM 606 N VAL A 40 52.685 -23.016 25.972 1.00 0.00 N ATOM 607 CA VAL A 40 54.112 -22.645 26.111 1.00 0.00 C ATOM 608 C VAL A 40 54.711 -22.274 24.737 1.00 0.00 C ATOM 609 O VAL A 40 54.113 -22.558 23.686 1.00 0.00 O ATOM 610 CB VAL A 40 54.970 -23.817 26.732 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.524 -24.194 28.167 1.00 0.00 C ATOM 612 CG2 VAL A 40 54.964 -25.056 25.807 1.00 0.00 C ATOM 0 H VAL A 40 52.487 -23.552 25.127 1.00 0.00 H new ATOM 0 HA VAL A 40 54.149 -21.788 26.784 1.00 0.00 H new ATOM 0 HB VAL A 40 55.992 -23.446 26.812 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.149 -25.004 28.541 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.625 -23.327 28.819 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.483 -24.517 28.151 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.562 -25.849 26.257 1.00 0.00 H new ATOM 0 HG22 VAL A 40 53.940 -25.405 25.673 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.386 -24.789 24.838 1.00 0.00 H new ATOM 622 N ILE A 41 55.888 -21.627 24.763 1.00 0.00 N ATOM 623 CA ILE A 41 56.674 -21.327 23.554 1.00 0.00 C ATOM 624 C ILE A 41 57.645 -22.494 23.276 1.00 0.00 C ATOM 625 O ILE A 41 58.473 -22.843 24.124 1.00 0.00 O ATOM 626 CB ILE A 41 57.481 -19.978 23.691 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.511 -18.784 23.956 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.356 -19.716 22.436 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.180 -17.427 24.085 1.00 0.00 C ATOM 0 H ILE A 41 56.322 -21.296 25.625 1.00 0.00 H new ATOM 0 HA ILE A 41 55.980 -21.207 22.722 1.00 0.00 H new ATOM 0 HB ILE A 41 58.151 -20.071 24.546 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.786 -18.738 23.144 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.953 -18.985 24.871 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.900 -18.780 22.561 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.066 -20.534 22.310 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.718 -19.651 21.555 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.423 -16.664 24.268 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.884 -17.446 24.917 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.714 -17.195 23.163 1.00 0.00 H new ATOM 641 N ILE A 42 57.493 -23.093 22.091 1.00 0.00 N ATOM 642 CA ILE A 42 58.339 -24.179 21.581 1.00 0.00 C ATOM 643 C ILE A 42 59.648 -23.589 21.050 1.00 0.00 C ATOM 644 O ILE A 42 59.623 -22.624 20.281 1.00 0.00 O ATOM 645 CB ILE A 42 57.619 -24.976 20.406 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.391 -25.799 20.903 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.599 -25.911 19.645 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.299 -25.013 21.588 1.00 0.00 C ATOM 0 H ILE A 42 56.755 -22.828 21.439 1.00 0.00 H new ATOM 0 HA ILE A 42 58.532 -24.872 22.400 1.00 0.00 H new ATOM 0 HB ILE A 42 57.260 -24.212 19.717 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.956 -26.317 20.048 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.747 -26.564 21.592 1.00 0.00 H new ATOM 0 HG21 ILE A 42 58.062 -26.433 18.853 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.403 -25.318 19.209 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.020 -26.639 20.339 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.499 -25.689 21.890 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.706 -24.516 22.469 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.903 -24.265 20.901 1.00 0.00 H new ATOM 660 N ASP A 43 60.770 -24.193 21.456 1.00 0.00 N ATOM 661 CA ASP A 43 62.100 -23.883 20.927 1.00 0.00 C ATOM 662 C ASP A 43 62.618 -25.114 20.176 1.00 0.00 C ATOM 663 O ASP A 43 62.740 -26.204 20.761 1.00 0.00 O ATOM 664 CB ASP A 43 63.092 -23.486 22.056 1.00 0.00 C ATOM 665 CG ASP A 43 64.424 -22.924 21.498 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.461 -21.740 21.098 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.435 -23.666 21.450 1.00 0.00 O ATOM 0 H ASP A 43 60.779 -24.920 22.171 1.00 0.00 H new ATOM 0 HA ASP A 43 62.023 -23.028 20.255 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.627 -22.739 22.700 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.300 -24.357 22.677 1.00 0.00 H new ATOM 672 N HIS A 44 62.867 -24.949 18.873 1.00 0.00 N ATOM 673 CA HIS A 44 63.512 -25.980 18.045 1.00 0.00 C ATOM 674 C HIS A 44 64.226 -25.291 16.881 1.00 0.00 C ATOM 675 O HIS A 44 63.624 -24.442 16.214 1.00 0.00 O ATOM 676 CB HIS A 44 62.490 -27.039 17.540 1.00 0.00 C ATOM 677 CG HIS A 44 63.126 -28.366 17.176 1.00 0.00 C ATOM 678 ND1 HIS A 44 63.134 -28.898 15.905 1.00 0.00 N ATOM 679 CD2 HIS A 44 63.773 -29.271 17.954 1.00 0.00 C ATOM 680 CE1 HIS A 44 63.756 -30.064 15.923 1.00 0.00 C ATOM 681 NE2 HIS A 44 64.155 -30.309 17.153 1.00 0.00 N ATOM 0 H HIS A 44 62.629 -24.100 18.361 1.00 0.00 H new ATOM 0 HA HIS A 44 64.238 -26.524 18.649 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.739 -27.205 18.312 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.969 -26.643 16.668 1.00 0.00 H new ATOM 0 HD2 HIS A 44 63.953 -29.185 19.015 1.00 0.00 H new ATOM 0 HE1 HIS A 44 63.911 -30.708 15.070 1.00 0.00 H new ATOM 0 HE2 HIS A 44 64.666 -31.138 17.458 1.00 0.00 H new ATOM 690 N ASN A 45 65.516 -25.653 16.674 1.00 0.00 N ATOM 691 CA ASN A 45 66.442 -24.981 15.726 1.00 0.00 C ATOM 692 C ASN A 45 66.775 -23.548 16.208 1.00 0.00 C ATOM 693 O ASN A 45 67.319 -22.743 15.449 1.00 0.00 O ATOM 694 CB ASN A 45 65.886 -24.953 14.268 1.00 0.00 C ATOM 695 CG ASN A 45 65.598 -26.343 13.690 1.00 0.00 C ATOM 696 OD1 ASN A 45 66.460 -26.968 13.082 1.00 0.00 O ATOM 697 ND2 ASN A 45 64.373 -26.832 13.871 1.00 0.00 N ATOM 0 H ASN A 45 65.950 -26.432 17.168 1.00 0.00 H new ATOM 0 HA ASN A 45 67.359 -25.570 15.708 1.00 0.00 H new ATOM 0 HB2 ASN A 45 64.968 -24.365 14.250 1.00 0.00 H new ATOM 0 HB3 ASN A 45 66.604 -24.444 13.625 1.00 0.00 H new ATOM 0 HD21 ASN A 45 64.130 -27.750 13.499 1.00 0.00 H new ATOM 0 HD22 ASN A 45 63.677 -26.288 14.381 1.00 0.00 H new ATOM 704 N GLY A 46 66.463 -23.257 17.493 1.00 0.00 N ATOM 705 CA GLY A 46 66.565 -21.906 18.053 1.00 0.00 C ATOM 706 C GLY A 46 65.395 -21.008 17.664 1.00 0.00 C ATOM 707 O GLY A 46 65.406 -19.813 17.969 1.00 0.00 O ATOM 0 H GLY A 46 66.136 -23.955 18.161 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.619 -21.973 19.140 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.495 -21.448 17.715 1.00 0.00 H new ATOM 711 N GLN A 47 64.386 -21.592 16.981 1.00 0.00 N ATOM 712 CA GLN A 47 63.185 -20.872 16.514 1.00 0.00 C ATOM 713 C GLN A 47 62.055 -21.019 17.549 1.00 0.00 C ATOM 714 O GLN A 47 62.011 -22.018 18.277 1.00 0.00 O ATOM 715 CB GLN A 47 62.726 -21.431 15.139 1.00 0.00 C ATOM 716 CG GLN A 47 63.816 -21.478 14.054 1.00 0.00 C ATOM 717 CD GLN A 47 63.337 -22.108 12.734 1.00 0.00 C ATOM 718 OE1 GLN A 47 62.166 -21.992 12.354 1.00 0.00 O ATOM 719 NE2 GLN A 47 64.232 -22.792 12.040 1.00 0.00 N ATOM 0 H GLN A 47 64.384 -22.583 16.738 1.00 0.00 H new ATOM 0 HA GLN A 47 63.427 -19.816 16.398 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.338 -22.439 15.286 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.899 -20.821 14.775 1.00 0.00 H new ATOM 0 HG2 GLN A 47 64.167 -20.465 13.858 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.668 -22.044 14.430 1.00 0.00 H new ATOM 0 HE21 GLN A 47 65.191 -22.869 12.380 1.00 0.00 H new ATOM 0 HE22 GLN A 47 63.963 -23.242 11.165 1.00 0.00 H new ATOM 728 N GLU A 48 61.118 -20.052 17.569 1.00 0.00 N ATOM 729 CA GLU A 48 60.073 -19.957 18.611 1.00 0.00 C ATOM 730 C GLU A 48 58.663 -19.965 17.983 1.00 0.00 C ATOM 731 O GLU A 48 58.399 -19.260 16.992 1.00 0.00 O ATOM 732 CB GLU A 48 60.298 -18.677 19.454 1.00 0.00 C ATOM 733 CG GLU A 48 60.184 -17.354 18.669 1.00 0.00 C ATOM 734 CD GLU A 48 60.507 -16.120 19.517 1.00 0.00 C ATOM 735 OE1 GLU A 48 59.643 -15.694 20.308 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.631 -15.575 19.404 1.00 0.00 O ATOM 0 H GLU A 48 61.062 -19.315 16.866 1.00 0.00 H new ATOM 0 HA GLU A 48 60.144 -20.827 19.263 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.573 -18.663 20.268 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.287 -18.728 19.909 1.00 0.00 H new ATOM 0 HG2 GLU A 48 60.860 -17.387 17.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.173 -17.260 18.273 1.00 0.00 H new ATOM 743 N TYR A 49 57.766 -20.817 18.534 1.00 0.00 N ATOM 744 CA TYR A 49 56.344 -20.898 18.106 1.00 0.00 C ATOM 745 C TYR A 49 55.481 -21.201 19.345 1.00 0.00 C ATOM 746 O TYR A 49 55.680 -22.222 19.992 1.00 0.00 O ATOM 747 CB TYR A 49 56.099 -21.986 16.990 1.00 0.00 C ATOM 748 CG TYR A 49 57.368 -22.572 16.350 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.993 -23.689 16.896 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.951 -21.986 15.228 1.00 0.00 C ATOM 751 CE1 TYR A 49 59.148 -24.209 16.350 1.00 0.00 C ATOM 752 CE2 TYR A 49 59.103 -22.504 14.673 1.00 0.00 C ATOM 753 CZ TYR A 49 59.700 -23.615 15.237 1.00 0.00 C ATOM 754 OH TYR A 49 60.858 -24.122 14.693 1.00 0.00 O ATOM 0 H TYR A 49 58.004 -21.466 19.284 1.00 0.00 H new ATOM 0 HA TYR A 49 56.067 -19.941 17.663 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.521 -22.802 17.423 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.487 -21.544 16.204 1.00 0.00 H new ATOM 0 HD1 TYR A 49 57.564 -24.160 17.768 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.494 -21.113 14.786 1.00 0.00 H new ATOM 0 HE1 TYR A 49 59.616 -25.076 16.792 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.537 -22.042 13.799 1.00 0.00 H new ATOM 0 HH TYR A 49 61.462 -24.401 15.412 1.00 0.00 H new ATOM 764 N LEU A 50 54.533 -20.313 19.651 1.00 0.00 N ATOM 765 CA LEU A 50 53.652 -20.432 20.835 1.00 0.00 C ATOM 766 C LEU A 50 52.509 -21.420 20.511 1.00 0.00 C ATOM 767 O LEU A 50 51.623 -21.105 19.725 1.00 0.00 O ATOM 768 CB LEU A 50 53.134 -18.995 21.213 1.00 0.00 C ATOM 769 CG LEU A 50 52.201 -18.793 22.479 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.731 -19.194 22.224 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.757 -19.513 23.730 1.00 0.00 C ATOM 0 H LEU A 50 54.347 -19.484 19.087 1.00 0.00 H new ATOM 0 HA LEU A 50 54.184 -20.830 21.699 1.00 0.00 H new ATOM 0 HB2 LEU A 50 54.010 -18.362 21.352 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.595 -18.608 20.349 1.00 0.00 H new ATOM 0 HG LEU A 50 52.206 -17.721 22.674 1.00 0.00 H new ATOM 0 HD11 LEU A 50 50.147 -19.031 23.130 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.323 -18.587 21.416 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.684 -20.247 21.946 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.086 -19.348 24.573 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.833 -20.582 23.531 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.744 -19.117 23.969 1.00 0.00 H new ATOM 783 N LEU A 51 52.560 -22.630 21.094 1.00 0.00 N ATOM 784 CA LEU A 51 51.486 -23.632 20.959 1.00 0.00 C ATOM 785 C LEU A 51 50.682 -23.631 22.251 1.00 0.00 C ATOM 786 O LEU A 51 51.242 -23.813 23.349 1.00 0.00 O ATOM 787 CB LEU A 51 52.037 -25.053 20.664 1.00 0.00 C ATOM 788 CG LEU A 51 50.983 -26.190 20.449 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.037 -25.872 19.277 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.674 -27.560 20.244 1.00 0.00 C ATOM 0 H LEU A 51 53.342 -22.941 21.670 1.00 0.00 H new ATOM 0 HA LEU A 51 50.858 -23.365 20.109 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.662 -24.996 19.773 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.686 -25.344 21.490 1.00 0.00 H new ATOM 0 HG LEU A 51 50.378 -26.247 21.354 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.319 -26.684 19.158 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.504 -24.943 19.481 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.617 -25.763 18.361 1.00 0.00 H new ATOM 0 HD21 LEU A 51 50.917 -28.331 20.097 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.320 -27.514 19.367 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.272 -27.801 21.123 1.00 0.00 H new ATOM 802 N ARG A 52 49.377 -23.405 22.116 1.00 0.00 N ATOM 803 CA ARG A 52 48.468 -23.290 23.250 1.00 0.00 C ATOM 804 C ARG A 52 47.262 -24.212 23.059 1.00 0.00 C ATOM 805 O ARG A 52 46.672 -24.269 21.971 1.00 0.00 O ATOM 806 CB ARG A 52 48.041 -21.805 23.419 1.00 0.00 C ATOM 807 CG ARG A 52 47.332 -21.187 22.198 1.00 0.00 C ATOM 808 CD ARG A 52 47.007 -19.698 22.374 1.00 0.00 C ATOM 809 NE ARG A 52 46.114 -19.448 23.525 1.00 0.00 N ATOM 810 CZ ARG A 52 44.771 -19.419 23.470 1.00 0.00 C ATOM 811 NH1 ARG A 52 44.129 -19.637 22.326 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.081 -19.163 24.564 1.00 0.00 N ATOM 0 H ARG A 52 48.920 -23.296 21.211 1.00 0.00 H new ATOM 0 HA ARG A 52 48.973 -23.605 24.163 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.379 -21.729 24.281 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.927 -21.211 23.644 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.963 -21.312 21.318 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.408 -21.733 22.008 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.934 -19.140 22.509 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.538 -19.322 21.465 1.00 0.00 H new ATOM 0 HE ARG A 52 46.551 -19.285 24.432 1.00 0.00 H new ATOM 0 HH11 ARG A 52 44.656 -19.830 21.474 1.00 0.00 H new ATOM 0 HH12 ARG A 52 43.110 -19.612 22.300 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.566 -18.989 25.444 1.00 0.00 H new ATOM 0 HH22 ARG A 52 43.062 -19.139 24.530 1.00 0.00 H new ATOM 826 N LYS A 53 46.918 -24.955 24.119 1.00 0.00 N ATOM 827 CA LYS A 53 45.704 -25.763 24.164 1.00 0.00 C ATOM 828 C LYS A 53 44.522 -24.835 24.467 1.00 0.00 C ATOM 829 O LYS A 53 44.395 -24.314 25.583 1.00 0.00 O ATOM 830 CB LYS A 53 45.820 -26.907 25.219 1.00 0.00 C ATOM 831 CG LYS A 53 46.866 -27.992 24.876 1.00 0.00 C ATOM 832 CD LYS A 53 46.953 -29.143 25.922 1.00 0.00 C ATOM 833 CE LYS A 53 45.911 -30.263 25.709 1.00 0.00 C ATOM 834 NZ LYS A 53 44.507 -29.819 25.938 1.00 0.00 N ATOM 0 H LYS A 53 47.479 -25.009 24.969 1.00 0.00 H new ATOM 0 HA LYS A 53 45.549 -26.250 23.201 1.00 0.00 H new ATOM 0 HB2 LYS A 53 46.073 -26.469 26.185 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.845 -27.382 25.330 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.626 -28.418 23.902 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.845 -27.522 24.786 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.952 -29.578 25.887 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.823 -28.724 26.920 1.00 0.00 H new ATOM 0 HE2 LYS A 53 46.002 -30.644 24.692 1.00 0.00 H new ATOM 0 HE3 LYS A 53 46.136 -31.091 26.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 43.929 -30.633 26.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.489 -29.095 26.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 44.122 -29.419 25.059 1.00 0.00 H new ATOM 848 N THR A 54 43.714 -24.569 23.435 1.00 0.00 N ATOM 849 CA THR A 54 42.490 -23.782 23.560 1.00 0.00 C ATOM 850 C THR A 54 41.446 -24.594 24.335 1.00 0.00 C ATOM 851 O THR A 54 41.361 -25.825 24.155 1.00 0.00 O ATOM 852 CB THR A 54 41.922 -23.389 22.159 1.00 0.00 C ATOM 853 OG1 THR A 54 41.375 -24.531 21.492 1.00 0.00 O ATOM 854 CG2 THR A 54 43.006 -22.769 21.273 1.00 0.00 C ATOM 0 H THR A 54 43.895 -24.897 22.486 1.00 0.00 H new ATOM 0 HA THR A 54 42.723 -22.862 24.097 1.00 0.00 H new ATOM 0 HB THR A 54 41.135 -22.653 22.328 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.548 -24.276 21.033 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.579 -22.507 20.305 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.398 -21.872 21.752 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.814 -23.487 21.130 1.00 0.00 H new ATOM 862 N GLN A 55 40.647 -23.896 25.170 1.00 0.00 N ATOM 863 CA GLN A 55 39.665 -24.522 26.092 1.00 0.00 C ATOM 864 C GLN A 55 38.421 -25.068 25.349 1.00 0.00 C ATOM 865 O GLN A 55 37.543 -25.671 25.973 1.00 0.00 O ATOM 866 CB GLN A 55 39.268 -23.508 27.202 1.00 0.00 C ATOM 867 CG GLN A 55 38.566 -22.229 26.696 1.00 0.00 C ATOM 868 CD GLN A 55 38.375 -21.179 27.793 1.00 0.00 C ATOM 869 OE1 GLN A 55 37.362 -21.172 28.499 1.00 0.00 O ATOM 870 NE2 GLN A 55 39.344 -20.285 27.948 1.00 0.00 N ATOM 0 H GLN A 55 40.662 -22.878 25.227 1.00 0.00 H new ATOM 0 HA GLN A 55 40.141 -25.386 26.555 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.610 -24.009 27.912 1.00 0.00 H new ATOM 0 HB3 GLN A 55 40.166 -23.220 27.748 1.00 0.00 H new ATOM 0 HG2 GLN A 55 39.151 -21.797 25.885 1.00 0.00 H new ATOM 0 HG3 GLN A 55 37.594 -22.495 26.281 1.00 0.00 H new ATOM 0 HE21 GLN A 55 40.169 -20.318 27.349 1.00 0.00 H new ATOM 0 HE22 GLN A 55 39.264 -19.566 28.667 1.00 0.00 H new ATOM 879 N ALA A 56 38.365 -24.845 24.017 1.00 0.00 N ATOM 880 CA ALA A 56 37.410 -25.513 23.109 1.00 0.00 C ATOM 881 C ALA A 56 37.867 -26.957 22.792 1.00 0.00 C ATOM 882 O ALA A 56 37.141 -27.728 22.151 1.00 0.00 O ATOM 883 CB ALA A 56 37.273 -24.697 21.814 1.00 0.00 C ATOM 0 H ALA A 56 38.986 -24.192 23.540 1.00 0.00 H new ATOM 0 HA ALA A 56 36.439 -25.570 23.602 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.568 -25.191 21.145 1.00 0.00 H new ATOM 0 HB2 ALA A 56 36.909 -23.697 22.051 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.245 -24.623 21.326 1.00 0.00 H new ATOM 889 N GLY A 57 39.093 -27.294 23.245 1.00 0.00 N ATOM 890 CA GLY A 57 39.668 -28.625 23.095 1.00 0.00 C ATOM 891 C GLY A 57 40.521 -28.754 21.848 1.00 0.00 C ATOM 892 O GLY A 57 40.542 -29.818 21.220 1.00 0.00 O ATOM 0 H GLY A 57 39.707 -26.637 23.727 1.00 0.00 H new ATOM 0 HA2 GLY A 57 40.274 -28.856 23.971 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.865 -29.362 23.060 1.00 0.00 H new ATOM 896 N LYS A 58 41.267 -27.680 21.500 1.00 0.00 N ATOM 897 CA LYS A 58 42.084 -27.650 20.249 1.00 0.00 C ATOM 898 C LYS A 58 43.534 -27.215 20.530 1.00 0.00 C ATOM 899 O LYS A 58 43.848 -26.720 21.610 1.00 0.00 O ATOM 900 CB LYS A 58 41.442 -26.696 19.201 1.00 0.00 C ATOM 901 CG LYS A 58 39.987 -27.040 18.805 1.00 0.00 C ATOM 902 CD LYS A 58 39.370 -26.026 17.808 1.00 0.00 C ATOM 903 CE LYS A 58 39.286 -24.597 18.375 1.00 0.00 C ATOM 904 NZ LYS A 58 38.688 -23.639 17.397 1.00 0.00 N ATOM 0 H LYS A 58 41.325 -26.827 22.057 1.00 0.00 H new ATOM 0 HA LYS A 58 42.104 -28.664 19.849 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.464 -25.680 19.596 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.058 -26.702 18.302 1.00 0.00 H new ATOM 0 HG2 LYS A 58 39.964 -28.036 18.362 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.372 -27.076 19.704 1.00 0.00 H new ATOM 0 HD2 LYS A 58 39.966 -26.014 16.896 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.370 -26.360 17.531 1.00 0.00 H new ATOM 0 HE2 LYS A 58 38.689 -24.604 19.287 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.284 -24.257 18.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 38.651 -22.690 17.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.271 -23.612 16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 37.725 -23.948 17.153 1.00 0.00 H new ATOM 918 N LEU A 59 44.403 -27.425 19.529 1.00 0.00 N ATOM 919 CA LEU A 59 45.796 -26.934 19.524 1.00 0.00 C ATOM 920 C LEU A 59 45.896 -25.732 18.576 1.00 0.00 C ATOM 921 O LEU A 59 45.489 -25.816 17.411 1.00 0.00 O ATOM 922 CB LEU A 59 46.783 -28.057 19.087 1.00 0.00 C ATOM 923 CG LEU A 59 47.074 -29.156 20.152 1.00 0.00 C ATOM 924 CD1 LEU A 59 47.948 -30.285 19.570 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.729 -28.546 21.402 1.00 0.00 C ATOM 0 H LEU A 59 44.158 -27.947 18.688 1.00 0.00 H new ATOM 0 HA LEU A 59 46.072 -26.630 20.534 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.383 -28.539 18.195 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.728 -27.594 18.803 1.00 0.00 H new ATOM 0 HG LEU A 59 46.120 -29.594 20.446 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.132 -31.035 20.339 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.432 -30.747 18.728 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.898 -29.872 19.231 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.923 -29.332 22.132 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.669 -28.069 21.124 1.00 0.00 H new ATOM 0 HD23 LEU A 59 47.060 -27.804 21.838 1.00 0.00 H new ATOM 937 N LEU A 60 46.438 -24.615 19.082 1.00 0.00 N ATOM 938 CA LEU A 60 46.555 -23.362 18.326 1.00 0.00 C ATOM 939 C LEU A 60 48.038 -22.968 18.247 1.00 0.00 C ATOM 940 O LEU A 60 48.617 -22.517 19.248 1.00 0.00 O ATOM 941 CB LEU A 60 45.736 -22.238 19.013 1.00 0.00 C ATOM 942 CG LEU A 60 45.408 -20.986 18.141 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.401 -21.330 17.027 1.00 0.00 C ATOM 944 CD2 LEU A 60 44.893 -19.822 19.009 1.00 0.00 C ATOM 0 H LEU A 60 46.809 -24.556 20.030 1.00 0.00 H new ATOM 0 HA LEU A 60 46.158 -23.503 17.321 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.797 -22.665 19.364 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.284 -21.906 19.895 1.00 0.00 H new ATOM 0 HG LEU A 60 46.335 -20.664 17.666 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.193 -20.438 16.437 1.00 0.00 H new ATOM 0 HD12 LEU A 60 44.821 -22.102 16.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.476 -21.694 17.473 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.673 -18.964 18.374 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.986 -20.130 19.530 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.655 -19.547 19.739 1.00 0.00 H new ATOM 956 N LEU A 61 48.662 -23.199 17.081 1.00 0.00 N ATOM 957 CA LEU A 61 50.055 -22.805 16.838 1.00 0.00 C ATOM 958 C LEU A 61 50.049 -21.367 16.301 1.00 0.00 C ATOM 959 O LEU A 61 49.568 -21.107 15.191 1.00 0.00 O ATOM 960 CB LEU A 61 50.742 -23.807 15.853 1.00 0.00 C ATOM 961 CG LEU A 61 52.321 -23.809 15.785 1.00 0.00 C ATOM 962 CD1 LEU A 61 52.899 -22.577 15.057 1.00 0.00 C ATOM 963 CD2 LEU A 61 52.934 -23.947 17.199 1.00 0.00 C ATOM 0 H LEU A 61 48.218 -23.661 16.287 1.00 0.00 H new ATOM 0 HA LEU A 61 50.636 -22.836 17.759 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.417 -24.813 16.118 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.364 -23.604 14.851 1.00 0.00 H new ATOM 0 HG LEU A 61 52.601 -24.679 15.191 1.00 0.00 H new ATOM 0 HD11 LEU A 61 53.987 -22.639 15.045 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.525 -22.551 14.033 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.593 -21.670 15.578 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.022 -23.946 17.126 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.611 -23.110 17.819 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.602 -24.882 17.650 1.00 0.00 H new ATOM 975 N THR A 62 50.562 -20.449 17.110 1.00 0.00 N ATOM 976 CA THR A 62 50.648 -19.022 16.794 1.00 0.00 C ATOM 977 C THR A 62 52.116 -18.579 16.882 1.00 0.00 C ATOM 978 O THR A 62 52.827 -18.979 17.805 1.00 0.00 O ATOM 979 CB THR A 62 49.760 -18.170 17.769 1.00 0.00 C ATOM 980 OG1 THR A 62 50.082 -18.464 19.142 1.00 0.00 O ATOM 981 CG2 THR A 62 48.254 -18.415 17.544 1.00 0.00 C ATOM 0 H THR A 62 50.941 -20.678 18.029 1.00 0.00 H new ATOM 0 HA THR A 62 50.273 -18.860 15.783 1.00 0.00 H new ATOM 0 HB THR A 62 49.976 -17.124 17.554 1.00 0.00 H new ATOM 0 HG1 THR A 62 49.339 -18.951 19.555 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.678 -17.805 18.240 1.00 0.00 H new ATOM 0 HG22 THR A 62 47.990 -18.145 16.521 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.028 -19.468 17.711 1.00 0.00 H new ATOM 989 N LYS A 63 52.556 -17.759 15.917 1.00 0.00 N ATOM 990 CA LYS A 63 53.951 -17.310 15.803 1.00 0.00 C ATOM 991 C LYS A 63 53.976 -15.891 15.171 1.00 0.00 C ATOM 992 O LYS A 63 54.167 -14.905 15.913 1.00 0.00 O ATOM 993 CB LYS A 63 54.801 -18.362 15.013 1.00 0.00 C ATOM 994 CG LYS A 63 54.139 -18.930 13.735 1.00 0.00 C ATOM 995 CD LYS A 63 54.936 -20.099 13.127 1.00 0.00 C ATOM 996 CE LYS A 63 56.338 -19.693 12.649 1.00 0.00 C ATOM 997 NZ LYS A 63 57.083 -20.853 12.079 1.00 0.00 N ATOM 998 OXT LYS A 63 53.747 -15.756 13.948 1.00 0.00 O ATOM 0 H LYS A 63 51.949 -17.386 15.188 1.00 0.00 H new ATOM 0 HA LYS A 63 54.412 -17.235 16.788 1.00 0.00 H new ATOM 0 HB2 LYS A 63 55.750 -17.902 14.736 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.032 -19.192 15.681 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.130 -19.267 13.972 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.044 -18.135 12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 63 55.028 -20.892 13.869 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.378 -20.512 12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 63 56.253 -18.909 11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 63 56.900 -19.274 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 57.822 -20.508 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 57.522 -21.396 12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 56.425 -21.465 11.555 1.00 0.00 H new TER 1012 LYS A 63