USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 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 MET CE :methyl -125:sc= -0.131 (180deg=-2.36!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 141:sc= -0.717 USER MOD Single : A 18 GLN : amide:sc= 0.0168 X(o=0.017,f=-0.1) USER MOD Single : A 20 THR OG1 : rot -170:sc= -1.09 USER MOD Single : A 23 GLN : amide:sc= -0.57 K(o=-0.57,f=-2.4) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0.231 (180deg=-0.0916) USER MOD Single : A 27 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=-0.0016) USER MOD Single : A 30 SER OG : rot 66:sc= 0.724 USER MOD Single : A 39 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.269 USER MOD Single : A 56 GLN : amide:sc= -0.712 K(o=-0.71,f=-1.8) USER MOD Single : A 57 CYS SG : rot 75:sc= 0.142 USER MOD Single : A 63 THR OG1 : rot 104:sc= 0.602 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 164:sc= -0.0625 (180deg=-0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.502 0.141 -1.043 1.00 0.00 N ATOM 2 CA MET A 1 1.850 0.435 -1.561 1.00 0.00 C ATOM 3 C MET A 1 2.792 -0.687 -1.104 1.00 0.00 C ATOM 4 O MET A 1 3.109 -0.802 0.081 1.00 0.00 O ATOM 5 CB MET A 1 2.327 1.834 -1.059 1.00 0.00 C ATOM 6 CG MET A 1 3.423 2.505 -1.904 1.00 0.00 C ATOM 7 SD MET A 1 4.878 1.469 -2.169 1.00 0.00 S ATOM 8 CE MET A 1 5.989 2.634 -2.956 1.00 0.00 C ATOM 0 H1 MET A 1 -0.155 0.890 -1.341 1.00 0.00 H new ATOM 0 H2 MET A 1 0.178 -0.773 -1.418 1.00 0.00 H new ATOM 0 H3 MET A 1 0.531 0.099 -0.004 1.00 0.00 H new ATOM 0 HA MET A 1 1.845 0.474 -2.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.465 2.500 -1.020 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.694 1.728 -0.038 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.004 2.781 -2.872 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.731 3.429 -1.415 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.329 2.226 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.466 3.574 -3.130 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.848 2.811 -2.309 1.00 0.00 H new ATOM 18 N GLN A 2 3.199 -1.544 -2.054 1.00 0.00 N ATOM 19 CA GLN A 2 4.103 -2.678 -1.797 1.00 0.00 C ATOM 20 C GLN A 2 5.004 -2.878 -3.018 1.00 0.00 C ATOM 21 O GLN A 2 4.500 -3.078 -4.123 1.00 0.00 O ATOM 22 CB GLN A 2 3.291 -3.971 -1.494 1.00 0.00 C ATOM 23 CG GLN A 2 4.149 -5.225 -1.213 1.00 0.00 C ATOM 24 CD GLN A 2 3.321 -6.472 -0.887 1.00 0.00 C ATOM 25 OE1 GLN A 2 3.012 -6.744 0.276 1.00 0.00 O ATOM 26 NE2 GLN A 2 2.965 -7.240 -1.911 1.00 0.00 N ATOM 0 H GLN A 2 2.908 -1.469 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 2 4.718 -2.463 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.650 -3.787 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.636 -4.178 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.773 -5.430 -2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.821 -5.017 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.238 -6.984 -2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.418 -8.086 -1.748 1.00 0.00 H new ATOM 35 N LEU A 3 6.330 -2.832 -2.812 1.00 0.00 N ATOM 36 CA LEU A 3 7.314 -2.896 -3.904 1.00 0.00 C ATOM 37 C LEU A 3 8.241 -4.116 -3.732 1.00 0.00 C ATOM 38 O LEU A 3 8.269 -4.757 -2.677 1.00 0.00 O ATOM 39 CB LEU A 3 8.098 -1.542 -3.989 1.00 0.00 C ATOM 40 CG LEU A 3 8.953 -1.088 -2.736 1.00 0.00 C ATOM 41 CD1 LEU A 3 10.346 -1.767 -2.681 1.00 0.00 C ATOM 42 CD2 LEU A 3 9.107 0.446 -2.690 1.00 0.00 C ATOM 0 H LEU A 3 6.749 -2.750 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 3 6.799 -3.034 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.769 -1.600 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.377 -0.753 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 3 8.398 -1.415 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.887 -1.418 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.222 -2.848 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.910 -1.513 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.699 0.726 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.609 0.789 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.122 0.909 -2.624 1.00 0.00 H new ATOM 54 N PHE A 4 8.990 -4.437 -4.792 1.00 0.00 N ATOM 55 CA PHE A 4 9.990 -5.521 -4.793 1.00 0.00 C ATOM 56 C PHE A 4 11.386 -4.898 -4.670 1.00 0.00 C ATOM 57 O PHE A 4 11.657 -3.866 -5.276 1.00 0.00 O ATOM 58 CB PHE A 4 9.895 -6.347 -6.108 1.00 0.00 C ATOM 59 CG PHE A 4 8.474 -6.780 -6.475 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.916 -7.942 -5.942 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.692 -6.018 -7.350 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.634 -8.331 -6.278 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.411 -6.410 -7.683 1.00 0.00 C ATOM 64 CZ PHE A 4 5.880 -7.563 -7.145 1.00 0.00 C ATOM 0 H PHE A 4 8.922 -3.949 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 4 9.802 -6.191 -3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.305 -5.755 -6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.520 -7.235 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.494 -8.545 -5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.097 -5.110 -7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.220 -9.238 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.824 -5.813 -8.365 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.875 -7.866 -7.401 1.00 0.00 H new ATOM 74 N VAL A 5 12.249 -5.496 -3.849 1.00 0.00 N ATOM 75 CA VAL A 5 13.668 -5.115 -3.756 1.00 0.00 C ATOM 76 C VAL A 5 14.531 -6.198 -4.419 1.00 0.00 C ATOM 77 O VAL A 5 14.594 -7.349 -3.941 1.00 0.00 O ATOM 78 CB VAL A 5 14.118 -4.867 -2.268 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.648 -4.669 -2.155 1.00 0.00 C ATOM 80 CG2 VAL A 5 13.364 -3.652 -1.668 1.00 0.00 C ATOM 0 H VAL A 5 11.988 -6.261 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 5 13.804 -4.171 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 5 13.862 -5.758 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.917 -4.501 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.158 -5.559 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.948 -3.807 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.687 -3.495 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.583 -2.761 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.291 -3.845 -1.686 1.00 0.00 H new ATOM 90 N ARG A 6 15.190 -5.810 -5.528 1.00 0.00 N ATOM 91 CA ARG A 6 16.046 -6.698 -6.315 1.00 0.00 C ATOM 92 C ARG A 6 17.442 -6.758 -5.671 1.00 0.00 C ATOM 93 O ARG A 6 18.318 -5.938 -5.942 1.00 0.00 O ATOM 94 CB ARG A 6 16.099 -6.192 -7.784 1.00 0.00 C ATOM 95 CG ARG A 6 16.912 -7.061 -8.767 1.00 0.00 C ATOM 96 CD ARG A 6 16.757 -6.587 -10.227 1.00 0.00 C ATOM 97 NE ARG A 6 17.578 -7.380 -11.161 1.00 0.00 N ATOM 98 CZ ARG A 6 17.113 -8.290 -12.041 1.00 0.00 C ATOM 99 NH1 ARG A 6 15.817 -8.552 -12.136 1.00 0.00 N ATOM 100 NH2 ARG A 6 17.957 -8.937 -12.822 1.00 0.00 N ATOM 0 H ARG A 6 15.138 -4.862 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 6 15.642 -7.710 -6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.078 -6.113 -8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.518 -5.186 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.965 -7.034 -8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.587 -8.098 -8.687 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.709 -6.655 -10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.041 -5.537 -10.298 1.00 0.00 H new ATOM 0 HE ARG A 6 18.586 -7.227 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.152 -8.062 -11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.484 -9.244 -12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.957 -8.748 -12.759 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.609 -9.626 -13.489 1.00 0.00 H new ATOM 114 N ALA A 7 17.590 -7.724 -4.774 1.00 0.00 N ATOM 115 CA ALA A 7 18.852 -8.069 -4.115 1.00 0.00 C ATOM 116 C ALA A 7 19.392 -9.349 -4.766 1.00 0.00 C ATOM 117 O ALA A 7 18.827 -9.809 -5.771 1.00 0.00 O ATOM 118 CB ALA A 7 18.624 -8.247 -2.600 1.00 0.00 C ATOM 0 H ALA A 7 16.812 -8.311 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 7 19.586 -7.272 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.567 -8.503 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.242 -7.318 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.902 -9.046 -2.432 1.00 0.00 H new ATOM 124 N GLN A 8 20.527 -9.864 -4.241 1.00 0.00 N ATOM 125 CA GLN A 8 21.092 -11.207 -4.599 1.00 0.00 C ATOM 126 C GLN A 8 19.994 -12.312 -4.668 1.00 0.00 C ATOM 127 O GLN A 8 20.113 -13.285 -5.417 1.00 0.00 O ATOM 128 CB GLN A 8 22.189 -11.575 -3.564 1.00 0.00 C ATOM 129 CG GLN A 8 21.689 -11.574 -2.107 1.00 0.00 C ATOM 130 CD GLN A 8 22.791 -11.819 -1.076 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.437 -10.880 -0.601 1.00 0.00 O ATOM 132 NE2 GLN A 8 23.002 -13.076 -0.716 1.00 0.00 N ATOM 0 H GLN A 8 21.088 -9.364 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 8 21.526 -11.148 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.585 -12.562 -3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.015 -10.870 -3.656 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.214 -10.616 -1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.923 -12.341 -1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.448 -13.825 -1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.719 -13.295 -0.024 1.00 0.00 H new ATOM 141 N GLU A 9 18.939 -12.123 -3.869 1.00 0.00 N ATOM 142 CA GLU A 9 17.670 -12.859 -3.963 1.00 0.00 C ATOM 143 C GLU A 9 16.511 -11.833 -3.827 1.00 0.00 C ATOM 144 O GLU A 9 16.621 -10.872 -3.046 1.00 0.00 O ATOM 145 CB GLU A 9 17.603 -13.954 -2.864 1.00 0.00 C ATOM 146 CG GLU A 9 17.893 -13.439 -1.439 1.00 0.00 C ATOM 147 CD GLU A 9 17.837 -14.533 -0.364 1.00 0.00 C ATOM 148 OE1 GLU A 9 16.743 -14.780 0.193 1.00 0.00 O ATOM 149 OE2 GLU A 9 18.876 -15.157 -0.068 1.00 0.00 O ATOM 0 H GLU A 9 18.942 -11.434 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 9 17.587 -13.368 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.612 -14.408 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.318 -14.740 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.880 -12.977 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.172 -12.660 -1.190 1.00 0.00 H new ATOM 156 N LEU A 10 15.424 -12.008 -4.609 1.00 0.00 N ATOM 157 CA LEU A 10 14.294 -11.045 -4.660 1.00 0.00 C ATOM 158 C LEU A 10 13.445 -11.156 -3.376 1.00 0.00 C ATOM 159 O LEU A 10 12.997 -12.248 -3.014 1.00 0.00 O ATOM 160 CB LEU A 10 13.428 -11.309 -5.948 1.00 0.00 C ATOM 161 CG LEU A 10 12.318 -10.250 -6.366 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.037 -10.312 -5.493 1.00 0.00 C ATOM 163 CD2 LEU A 10 12.895 -8.819 -6.391 1.00 0.00 C ATOM 0 H LEU A 10 15.302 -12.815 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 10 14.683 -10.028 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.114 -11.415 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.932 -12.271 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 10 12.011 -10.526 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.326 -9.561 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.588 -11.302 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.296 -10.117 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.113 -8.117 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.268 -8.560 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.712 -8.769 -7.111 1.00 0.00 H new ATOM 175 N HIS A 11 13.243 -10.014 -2.705 1.00 0.00 N ATOM 176 CA HIS A 11 12.337 -9.885 -1.545 1.00 0.00 C ATOM 177 C HIS A 11 11.251 -8.852 -1.874 1.00 0.00 C ATOM 178 O HIS A 11 11.421 -8.043 -2.787 1.00 0.00 O ATOM 179 CB HIS A 11 13.117 -9.460 -0.275 1.00 0.00 C ATOM 180 CG HIS A 11 14.143 -10.461 0.187 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.839 -11.522 1.013 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.468 -10.570 -0.075 1.00 0.00 C ATOM 183 CE1 HIS A 11 14.923 -12.226 1.234 1.00 0.00 C ATOM 184 NE2 HIS A 11 15.919 -11.670 0.590 1.00 0.00 N ATOM 0 H HIS A 11 13.708 -9.140 -2.952 1.00 0.00 H new ATOM 0 HA HIS A 11 11.877 -10.852 -1.343 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.615 -8.510 -0.470 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.406 -9.287 0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.056 -9.909 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.984 -13.115 1.844 1.00 0.00 H new ATOM 0 HE2 HIS A 11 16.881 -12.008 0.587 1.00 0.00 H new ATOM 193 N THR A 12 10.139 -8.897 -1.134 1.00 0.00 N ATOM 194 CA THR A 12 9.002 -7.974 -1.316 1.00 0.00 C ATOM 195 C THR A 12 8.702 -7.272 0.027 1.00 0.00 C ATOM 196 O THR A 12 8.619 -7.938 1.067 1.00 0.00 O ATOM 197 CB THR A 12 7.738 -8.755 -1.817 1.00 0.00 C ATOM 198 OG1 THR A 12 8.093 -9.603 -2.924 1.00 0.00 O ATOM 199 CG2 THR A 12 6.603 -7.811 -2.260 1.00 0.00 C ATOM 0 H THR A 12 9.996 -9.576 -0.387 1.00 0.00 H new ATOM 0 HA THR A 12 9.259 -7.227 -2.067 1.00 0.00 H new ATOM 0 HB THR A 12 7.377 -9.349 -0.977 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.300 -10.089 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.751 -8.400 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.301 -7.185 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.953 -7.179 -3.076 1.00 0.00 H new ATOM 207 N PHE A 13 8.554 -5.927 0.004 1.00 0.00 N ATOM 208 CA PHE A 13 8.343 -5.106 1.216 1.00 0.00 C ATOM 209 C PHE A 13 7.176 -4.136 0.994 1.00 0.00 C ATOM 210 O PHE A 13 7.152 -3.387 0.005 1.00 0.00 O ATOM 211 CB PHE A 13 9.626 -4.302 1.579 1.00 0.00 C ATOM 212 CG PHE A 13 10.833 -5.184 1.915 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.949 -5.792 3.163 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.843 -5.405 0.981 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.038 -6.587 3.464 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.932 -6.193 1.284 1.00 0.00 C ATOM 217 CZ PHE A 13 13.033 -6.783 2.525 1.00 0.00 C ATOM 0 H PHE A 13 8.578 -5.381 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 13 8.110 -5.777 2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.884 -3.651 0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.411 -3.657 2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.178 -5.640 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.771 -4.951 0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.112 -7.056 4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.707 -6.348 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.888 -7.398 2.764 1.00 0.00 H new ATOM 227 N GLU A 14 6.197 -4.165 1.912 1.00 0.00 N ATOM 228 CA GLU A 14 5.088 -3.201 1.926 1.00 0.00 C ATOM 229 C GLU A 14 5.477 -1.973 2.766 1.00 0.00 C ATOM 230 O GLU A 14 6.069 -2.099 3.850 1.00 0.00 O ATOM 231 CB GLU A 14 3.789 -3.856 2.459 1.00 0.00 C ATOM 232 CG GLU A 14 3.878 -4.425 3.891 1.00 0.00 C ATOM 233 CD GLU A 14 2.515 -4.902 4.415 1.00 0.00 C ATOM 234 OE1 GLU A 14 1.696 -4.045 4.800 1.00 0.00 O ATOM 235 OE2 GLU A 14 2.240 -6.120 4.421 1.00 0.00 O ATOM 0 H GLU A 14 6.153 -4.855 2.662 1.00 0.00 H new ATOM 0 HA GLU A 14 4.892 -2.876 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.989 -3.116 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.504 -4.662 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.582 -5.257 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.274 -3.661 4.559 1.00 0.00 H new ATOM 242 N VAL A 15 5.171 -0.783 2.235 1.00 0.00 N ATOM 243 CA VAL A 15 5.471 0.503 2.882 1.00 0.00 C ATOM 244 C VAL A 15 4.242 1.424 2.794 1.00 0.00 C ATOM 245 O VAL A 15 3.445 1.318 1.870 1.00 0.00 O ATOM 246 CB VAL A 15 6.723 1.217 2.221 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.025 0.404 2.436 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.492 1.499 0.715 1.00 0.00 C ATOM 0 H VAL A 15 4.703 -0.683 1.334 1.00 0.00 H new ATOM 0 HA VAL A 15 5.715 0.304 3.926 1.00 0.00 H new ATOM 0 HB VAL A 15 6.842 2.176 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.861 0.925 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.215 0.297 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.916 -0.583 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.372 1.989 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.317 0.559 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.624 2.148 0.595 1.00 0.00 H new ATOM 258 N THR A 16 4.084 2.307 3.777 1.00 0.00 N ATOM 259 CA THR A 16 3.057 3.364 3.754 1.00 0.00 C ATOM 260 C THR A 16 3.623 4.684 3.177 1.00 0.00 C ATOM 261 O THR A 16 2.990 5.738 3.291 1.00 0.00 O ATOM 262 CB THR A 16 2.485 3.592 5.200 1.00 0.00 C ATOM 263 OG1 THR A 16 3.555 3.833 6.138 1.00 0.00 O ATOM 264 CG2 THR A 16 1.660 2.383 5.678 1.00 0.00 C ATOM 0 H THR A 16 4.662 2.316 4.617 1.00 0.00 H new ATOM 0 HA THR A 16 2.247 3.038 3.101 1.00 0.00 H new ATOM 0 HB THR A 16 1.834 4.465 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.282 4.526 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.280 2.576 6.681 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.824 2.222 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.292 1.495 5.693 1.00 0.00 H new ATOM 272 N GLY A 17 4.823 4.611 2.559 1.00 0.00 N ATOM 273 CA GLY A 17 5.441 5.760 1.895 1.00 0.00 C ATOM 274 C GLY A 17 6.399 6.523 2.804 1.00 0.00 C ATOM 275 O GLY A 17 7.428 7.008 2.334 1.00 0.00 O ATOM 0 H GLY A 17 5.379 3.757 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.981 5.417 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.660 6.437 1.548 1.00 0.00 H new ATOM 279 N GLN A 18 6.057 6.600 4.113 1.00 0.00 N ATOM 280 CA GLN A 18 6.839 7.348 5.134 1.00 0.00 C ATOM 281 C GLN A 18 8.210 6.701 5.410 1.00 0.00 C ATOM 282 O GLN A 18 9.103 7.358 5.950 1.00 0.00 O ATOM 283 CB GLN A 18 6.044 7.424 6.468 1.00 0.00 C ATOM 284 CG GLN A 18 5.776 6.041 7.107 1.00 0.00 C ATOM 285 CD GLN A 18 5.183 6.081 8.511 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.465 7.011 8.880 1.00 0.00 O ATOM 287 NE2 GLN A 18 5.463 5.052 9.299 1.00 0.00 N ATOM 0 H GLN A 18 5.228 6.144 4.494 1.00 0.00 H new ATOM 0 HA GLN A 18 7.007 8.347 4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.596 8.042 7.176 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.092 7.922 6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.099 5.484 6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.714 5.486 7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.062 4.299 8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.080 5.014 10.243 1.00 0.00 H new ATOM 296 N GLU A 19 8.338 5.406 5.081 1.00 0.00 N ATOM 297 CA GLU A 19 9.598 4.656 5.215 1.00 0.00 C ATOM 298 C GLU A 19 10.649 5.302 4.307 1.00 0.00 C ATOM 299 O GLU A 19 10.338 5.666 3.174 1.00 0.00 O ATOM 300 CB GLU A 19 9.409 3.152 4.834 1.00 0.00 C ATOM 301 CG GLU A 19 8.599 2.291 5.841 1.00 0.00 C ATOM 302 CD GLU A 19 7.170 2.791 6.120 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.446 3.130 5.156 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.748 2.824 7.301 1.00 0.00 O ATOM 0 H GLU A 19 7.568 4.847 4.713 1.00 0.00 H new ATOM 0 HA GLU A 19 9.924 4.691 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.914 3.103 3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.394 2.702 4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.543 1.271 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.145 2.251 6.784 1.00 0.00 H new ATOM 311 N THR A 20 11.861 5.500 4.824 1.00 0.00 N ATOM 312 CA THR A 20 12.982 6.002 4.028 1.00 0.00 C ATOM 313 C THR A 20 13.645 4.864 3.254 1.00 0.00 C ATOM 314 O THR A 20 13.371 3.677 3.490 1.00 0.00 O ATOM 315 CB THR A 20 14.039 6.735 4.918 1.00 0.00 C ATOM 316 OG1 THR A 20 14.406 5.912 6.039 1.00 0.00 O ATOM 317 CG2 THR A 20 13.528 8.102 5.408 1.00 0.00 C ATOM 0 H THR A 20 12.094 5.318 5.800 1.00 0.00 H new ATOM 0 HA THR A 20 12.580 6.726 3.319 1.00 0.00 H new ATOM 0 HB THR A 20 14.919 6.914 4.300 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.942 6.437 6.669 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.293 8.577 6.022 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.306 8.736 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.623 7.962 5.999 1.00 0.00 H new ATOM 325 N VAL A 21 14.519 5.250 2.321 1.00 0.00 N ATOM 326 CA VAL A 21 15.401 4.328 1.603 1.00 0.00 C ATOM 327 C VAL A 21 16.363 3.658 2.601 1.00 0.00 C ATOM 328 O VAL A 21 16.703 2.489 2.444 1.00 0.00 O ATOM 329 CB VAL A 21 16.167 5.098 0.461 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.298 4.257 -0.168 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.167 5.592 -0.622 1.00 0.00 C ATOM 0 H VAL A 21 14.635 6.224 2.040 1.00 0.00 H new ATOM 0 HA VAL A 21 14.816 3.542 1.126 1.00 0.00 H new ATOM 0 HB VAL A 21 16.646 5.963 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.791 4.836 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.024 3.991 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.878 3.349 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.710 6.122 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.649 4.737 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.440 6.264 -0.166 1.00 0.00 H new ATOM 341 N ALA A 22 16.740 4.410 3.658 1.00 0.00 N ATOM 342 CA ALA A 22 17.533 3.886 4.783 1.00 0.00 C ATOM 343 C ALA A 22 16.786 2.739 5.503 1.00 0.00 C ATOM 344 O ALA A 22 17.393 1.717 5.833 1.00 0.00 O ATOM 345 CB ALA A 22 17.876 5.014 5.767 1.00 0.00 C ATOM 0 H ALA A 22 16.501 5.397 3.752 1.00 0.00 H new ATOM 0 HA ALA A 22 18.463 3.480 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.462 4.611 6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.454 5.782 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.956 5.451 6.155 1.00 0.00 H new ATOM 351 N GLN A 23 15.454 2.901 5.723 1.00 0.00 N ATOM 352 CA GLN A 23 14.621 1.850 6.352 1.00 0.00 C ATOM 353 C GLN A 23 14.482 0.621 5.430 1.00 0.00 C ATOM 354 O GLN A 23 14.489 -0.512 5.914 1.00 0.00 O ATOM 355 CB GLN A 23 13.218 2.382 6.774 1.00 0.00 C ATOM 356 CG GLN A 23 13.249 3.474 7.874 1.00 0.00 C ATOM 357 CD GLN A 23 11.913 3.671 8.602 1.00 0.00 C ATOM 358 OE1 GLN A 23 10.842 3.458 8.044 1.00 0.00 O ATOM 359 NE2 GLN A 23 11.972 4.094 9.853 1.00 0.00 N ATOM 0 H GLN A 23 14.940 3.746 5.474 1.00 0.00 H new ATOM 0 HA GLN A 23 15.138 1.543 7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.716 2.785 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.617 1.544 7.128 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.014 3.215 8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.547 4.420 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.877 4.263 10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.113 4.251 10.379 1.00 0.00 H new ATOM 368 N ILE A 24 14.371 0.863 4.104 1.00 0.00 N ATOM 369 CA ILE A 24 14.365 -0.219 3.085 1.00 0.00 C ATOM 370 C ILE A 24 15.653 -1.063 3.202 1.00 0.00 C ATOM 371 O ILE A 24 15.590 -2.294 3.267 1.00 0.00 O ATOM 372 CB ILE A 24 14.218 0.356 1.619 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.849 1.087 1.440 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.402 -0.739 0.531 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.613 0.213 1.647 1.00 0.00 C ATOM 0 H ILE A 24 14.284 1.800 3.711 1.00 0.00 H new ATOM 0 HA ILE A 24 13.499 -0.852 3.277 1.00 0.00 H new ATOM 0 HB ILE A 24 15.021 1.081 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.806 1.921 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.810 1.511 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.292 -0.292 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.395 -1.179 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.648 -1.515 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.715 0.813 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.623 -0.607 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.619 -0.191 2.659 1.00 0.00 H new ATOM 387 N LYS A 25 16.803 -0.362 3.274 1.00 0.00 N ATOM 388 CA LYS A 25 18.132 -0.981 3.423 1.00 0.00 C ATOM 389 C LYS A 25 18.229 -1.779 4.727 1.00 0.00 C ATOM 390 O LYS A 25 18.811 -2.848 4.747 1.00 0.00 O ATOM 391 CB LYS A 25 19.242 0.094 3.399 1.00 0.00 C ATOM 392 CG LYS A 25 19.378 0.863 2.074 1.00 0.00 C ATOM 393 CD LYS A 25 20.551 1.859 2.113 1.00 0.00 C ATOM 394 CE LYS A 25 20.654 2.702 0.847 1.00 0.00 C ATOM 395 NZ LYS A 25 21.893 3.519 0.854 1.00 0.00 N ATOM 0 H LYS A 25 16.834 0.657 3.230 1.00 0.00 H new ATOM 0 HA LYS A 25 18.270 -1.661 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.050 0.810 4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.195 -0.385 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.527 0.157 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.452 1.399 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.434 2.517 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.482 1.311 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.647 2.053 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.784 3.354 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.846 4.227 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.986 4.001 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.716 2.902 0.702 1.00 0.00 H new ATOM 409 N ALA A 26 17.662 -1.213 5.806 1.00 0.00 N ATOM 410 CA ALA A 26 17.625 -1.844 7.147 1.00 0.00 C ATOM 411 C ALA A 26 16.885 -3.202 7.130 1.00 0.00 C ATOM 412 O ALA A 26 17.350 -4.178 7.722 1.00 0.00 O ATOM 413 CB ALA A 26 16.980 -0.883 8.160 1.00 0.00 C ATOM 0 H ALA A 26 17.212 -0.298 5.777 1.00 0.00 H new ATOM 0 HA ALA A 26 18.652 -2.047 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.956 -1.353 9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.563 0.036 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.963 -0.650 7.844 1.00 0.00 H new ATOM 419 N HIS A 27 15.735 -3.250 6.429 1.00 0.00 N ATOM 420 CA HIS A 27 14.922 -4.485 6.291 1.00 0.00 C ATOM 421 C HIS A 27 15.683 -5.562 5.496 1.00 0.00 C ATOM 422 O HIS A 27 15.692 -6.744 5.880 1.00 0.00 O ATOM 423 CB HIS A 27 13.551 -4.167 5.628 1.00 0.00 C ATOM 424 CG HIS A 27 12.557 -3.460 6.527 1.00 0.00 C ATOM 425 ND1 HIS A 27 11.210 -3.768 6.558 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.720 -2.458 7.424 1.00 0.00 C ATOM 427 CE1 HIS A 27 10.604 -2.985 7.427 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.499 -2.186 7.963 1.00 0.00 N ATOM 0 H HIS A 27 15.342 -2.443 5.944 1.00 0.00 H new ATOM 0 HA HIS A 27 14.734 -4.880 7.289 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.725 -3.550 4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.106 -5.100 5.282 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.649 -1.964 7.668 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.549 -2.998 7.660 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.310 -1.475 8.670 1.00 0.00 H new ATOM 437 N VAL A 28 16.348 -5.136 4.406 1.00 0.00 N ATOM 438 CA VAL A 28 17.186 -6.025 3.573 1.00 0.00 C ATOM 439 C VAL A 28 18.385 -6.532 4.396 1.00 0.00 C ATOM 440 O VAL A 28 18.745 -7.699 4.327 1.00 0.00 O ATOM 441 CB VAL A 28 17.680 -5.287 2.265 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.593 -6.187 1.391 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.477 -4.759 1.450 1.00 0.00 C ATOM 0 H VAL A 28 16.321 -4.171 4.077 1.00 0.00 H new ATOM 0 HA VAL A 28 16.582 -6.877 3.261 1.00 0.00 H new ATOM 0 HB VAL A 28 18.285 -4.437 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.906 -5.636 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.472 -6.480 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.043 -7.078 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.838 -4.254 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.837 -5.594 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.907 -4.056 2.057 1.00 0.00 H new ATOM 453 N ALA A 29 18.955 -5.629 5.208 1.00 0.00 N ATOM 454 CA ALA A 29 20.100 -5.911 6.084 1.00 0.00 C ATOM 455 C ALA A 29 19.772 -6.970 7.152 1.00 0.00 C ATOM 456 O ALA A 29 20.640 -7.764 7.526 1.00 0.00 O ATOM 457 CB ALA A 29 20.568 -4.608 6.739 1.00 0.00 C ATOM 0 H ALA A 29 18.627 -4.666 5.275 1.00 0.00 H new ATOM 0 HA ALA A 29 20.901 -6.325 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.418 -4.813 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 29 20.865 -3.899 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.754 -4.184 7.327 1.00 0.00 H new ATOM 463 N SER A 30 18.520 -6.948 7.641 1.00 0.00 N ATOM 464 CA SER A 30 18.006 -7.945 8.593 1.00 0.00 C ATOM 465 C SER A 30 17.956 -9.338 7.951 1.00 0.00 C ATOM 466 O SER A 30 18.482 -10.303 8.513 1.00 0.00 O ATOM 467 CB SER A 30 16.605 -7.515 9.096 1.00 0.00 C ATOM 468 OG SER A 30 16.645 -6.215 9.668 1.00 0.00 O ATOM 0 H SER A 30 17.835 -6.236 7.386 1.00 0.00 H new ATOM 0 HA SER A 30 18.682 -8.000 9.446 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.897 -7.530 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.245 -8.230 9.835 1.00 0.00 H new ATOM 0 HG SER A 30 16.856 -5.558 8.972 1.00 0.00 H new ATOM 474 N LEU A 31 17.352 -9.418 6.749 1.00 0.00 N ATOM 475 CA LEU A 31 17.123 -10.702 6.056 1.00 0.00 C ATOM 476 C LEU A 31 18.427 -11.316 5.511 1.00 0.00 C ATOM 477 O LEU A 31 18.615 -12.535 5.564 1.00 0.00 O ATOM 478 CB LEU A 31 16.095 -10.511 4.916 1.00 0.00 C ATOM 479 CG LEU A 31 14.692 -9.949 5.340 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.728 -9.882 4.132 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.075 -10.762 6.511 1.00 0.00 C ATOM 0 H LEU A 31 17.012 -8.605 6.236 1.00 0.00 H new ATOM 0 HA LEU A 31 16.726 -11.404 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.525 -9.837 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.945 -11.472 4.424 1.00 0.00 H new ATOM 0 HG LEU A 31 14.846 -8.932 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.765 -9.489 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.148 -9.228 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.592 -10.882 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.105 -10.341 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.949 -11.801 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.738 -10.715 7.375 1.00 0.00 H new ATOM 493 N GLU A 32 19.326 -10.462 4.994 1.00 0.00 N ATOM 494 CA GLU A 32 20.584 -10.906 4.346 1.00 0.00 C ATOM 495 C GLU A 32 21.745 -10.986 5.354 1.00 0.00 C ATOM 496 O GLU A 32 22.781 -11.593 5.067 1.00 0.00 O ATOM 497 CB GLU A 32 20.940 -9.956 3.169 1.00 0.00 C ATOM 498 CG GLU A 32 19.800 -9.740 2.141 1.00 0.00 C ATOM 499 CD GLU A 32 19.222 -11.044 1.570 1.00 0.00 C ATOM 500 OE1 GLU A 32 19.727 -11.531 0.546 1.00 0.00 O ATOM 501 OE2 GLU A 32 18.255 -11.595 2.151 1.00 0.00 O ATOM 0 H GLU A 32 19.208 -9.449 5.010 1.00 0.00 H new ATOM 0 HA GLU A 32 20.426 -11.911 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.231 -8.988 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.810 -10.356 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.998 -9.176 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.176 -9.130 1.319 1.00 0.00 H new ATOM 508 N GLY A 33 21.552 -10.374 6.542 1.00 0.00 N ATOM 509 CA GLY A 33 22.578 -10.358 7.594 1.00 0.00 C ATOM 510 C GLY A 33 23.741 -9.429 7.263 1.00 0.00 C ATOM 511 O GLY A 33 24.862 -9.651 7.711 1.00 0.00 O ATOM 0 H GLY A 33 20.692 -9.885 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.124 -10.046 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.956 -11.369 7.743 1.00 0.00 H new ATOM 515 N ILE A 34 23.463 -8.395 6.459 1.00 0.00 N ATOM 516 CA ILE A 34 24.470 -7.405 6.012 1.00 0.00 C ATOM 517 C ILE A 34 24.229 -6.062 6.719 1.00 0.00 C ATOM 518 O ILE A 34 23.298 -5.943 7.515 1.00 0.00 O ATOM 519 CB ILE A 34 24.437 -7.238 4.440 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.038 -6.730 3.942 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.824 -8.575 3.743 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.915 -6.557 2.432 1.00 0.00 C ATOM 0 H ILE A 34 22.528 -8.214 6.094 1.00 0.00 H new ATOM 0 HA ILE A 34 25.463 -7.765 6.281 1.00 0.00 H new ATOM 0 HB ILE A 34 25.172 -6.480 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.274 -7.432 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.824 -5.774 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.796 -8.443 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.829 -8.866 4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.118 -9.353 4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.914 -6.203 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.651 -5.830 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.092 -7.514 1.941 1.00 0.00 H new ATOM 534 N ALA A 35 25.086 -5.070 6.452 1.00 0.00 N ATOM 535 CA ALA A 35 24.931 -3.708 7.005 1.00 0.00 C ATOM 536 C ALA A 35 24.283 -2.788 5.946 1.00 0.00 C ATOM 537 O ALA A 35 24.636 -2.876 4.761 1.00 0.00 O ATOM 538 CB ALA A 35 26.290 -3.159 7.462 1.00 0.00 C ATOM 0 H ALA A 35 25.903 -5.181 5.851 1.00 0.00 H new ATOM 0 HA ALA A 35 24.278 -3.744 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.159 -2.155 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 35 26.705 -3.810 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.972 -3.122 6.612 1.00 0.00 H new ATOM 544 N PRO A 36 23.315 -1.884 6.351 1.00 0.00 N ATOM 545 CA PRO A 36 22.618 -0.956 5.414 1.00 0.00 C ATOM 546 C PRO A 36 23.576 0.047 4.731 1.00 0.00 C ATOM 547 O PRO A 36 23.246 0.613 3.682 1.00 0.00 O ATOM 548 CB PRO A 36 21.586 -0.213 6.317 1.00 0.00 C ATOM 549 CG PRO A 36 21.464 -1.060 7.549 1.00 0.00 C ATOM 550 CD PRO A 36 22.826 -1.691 7.742 1.00 0.00 C ATOM 0 HA PRO A 36 22.159 -1.499 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.928 0.792 6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.625 -0.109 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.184 -0.458 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 36 20.693 -1.821 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 36 23.491 -1.045 8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.758 -2.637 8.279 1.00 0.00 H new ATOM 558 N GLU A 37 24.752 0.248 5.349 1.00 0.00 N ATOM 559 CA GLU A 37 25.794 1.152 4.840 1.00 0.00 C ATOM 560 C GLU A 37 26.407 0.609 3.536 1.00 0.00 C ATOM 561 O GLU A 37 26.720 1.379 2.640 1.00 0.00 O ATOM 562 CB GLU A 37 26.907 1.349 5.907 1.00 0.00 C ATOM 563 CG GLU A 37 27.736 0.084 6.218 1.00 0.00 C ATOM 564 CD GLU A 37 28.798 0.296 7.299 1.00 0.00 C ATOM 565 OE1 GLU A 37 29.891 0.817 6.983 1.00 0.00 O ATOM 566 OE2 GLU A 37 28.542 -0.047 8.474 1.00 0.00 O ATOM 0 H GLU A 37 25.007 -0.216 6.221 1.00 0.00 H new ATOM 0 HA GLU A 37 25.330 2.115 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.582 2.134 5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.447 1.701 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.062 -0.713 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.223 -0.254 5.304 1.00 0.00 H new ATOM 573 N ASP A 38 26.535 -0.734 3.432 1.00 0.00 N ATOM 574 CA ASP A 38 27.243 -1.394 2.311 1.00 0.00 C ATOM 575 C ASP A 38 26.442 -1.344 1.011 1.00 0.00 C ATOM 576 O ASP A 38 27.001 -1.522 -0.077 1.00 0.00 O ATOM 577 CB ASP A 38 27.592 -2.857 2.670 1.00 0.00 C ATOM 578 CG ASP A 38 28.724 -2.954 3.704 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.911 -2.901 3.304 1.00 0.00 O ATOM 580 OD2 ASP A 38 28.435 -3.097 4.905 1.00 0.00 O ATOM 0 H ASP A 38 26.154 -1.386 4.117 1.00 0.00 H new ATOM 0 HA ASP A 38 28.166 -0.838 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 38 26.704 -3.354 3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.884 -3.390 1.765 1.00 0.00 H new ATOM 585 N GLN A 39 25.141 -1.084 1.133 1.00 0.00 N ATOM 586 CA GLN A 39 24.201 -1.123 0.008 1.00 0.00 C ATOM 587 C GLN A 39 23.660 0.286 -0.312 1.00 0.00 C ATOM 588 O GLN A 39 23.593 1.158 0.561 1.00 0.00 O ATOM 589 CB GLN A 39 23.052 -2.112 0.344 1.00 0.00 C ATOM 590 CG GLN A 39 22.193 -1.726 1.559 1.00 0.00 C ATOM 591 CD GLN A 39 21.186 -2.805 1.976 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.079 -2.873 1.450 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.558 -3.628 2.945 1.00 0.00 N ATOM 0 H GLN A 39 24.704 -0.838 2.021 1.00 0.00 H new ATOM 0 HA GLN A 39 24.719 -1.472 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.403 -2.200 -0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.482 -3.098 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 39 22.850 -1.510 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 39 21.653 -0.807 1.332 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.486 -3.542 3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.916 -4.348 3.277 1.00 0.00 H new ATOM 602 N VAL A 40 23.313 0.496 -1.589 1.00 0.00 N ATOM 603 CA VAL A 40 22.610 1.688 -2.080 1.00 0.00 C ATOM 604 C VAL A 40 21.449 1.221 -2.969 1.00 0.00 C ATOM 605 O VAL A 40 21.614 0.315 -3.797 1.00 0.00 O ATOM 606 CB VAL A 40 23.562 2.683 -2.853 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.271 2.008 -4.055 1.00 0.00 C ATOM 608 CG2 VAL A 40 22.803 3.971 -3.290 1.00 0.00 C ATOM 0 H VAL A 40 23.519 -0.176 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 40 22.232 2.252 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 40 24.344 2.978 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.914 2.734 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.874 1.173 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.524 1.642 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.487 4.634 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 40 21.977 3.701 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.413 4.480 -2.409 1.00 0.00 H new ATOM 618 N VAL A 41 20.264 1.798 -2.742 1.00 0.00 N ATOM 619 CA VAL A 41 19.049 1.450 -3.487 1.00 0.00 C ATOM 620 C VAL A 41 18.953 2.332 -4.746 1.00 0.00 C ATOM 621 O VAL A 41 19.128 3.556 -4.680 1.00 0.00 O ATOM 622 CB VAL A 41 17.774 1.595 -2.575 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.473 1.330 -3.354 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.875 0.661 -1.341 1.00 0.00 C ATOM 0 H VAL A 41 20.120 2.520 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 41 19.100 0.407 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 41 17.738 2.628 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.619 1.441 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.388 2.044 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.490 0.317 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.984 0.776 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.955 -0.374 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.757 0.923 -0.757 1.00 0.00 H new ATOM 634 N LEU A 42 18.703 1.680 -5.888 1.00 0.00 N ATOM 635 CA LEU A 42 18.687 2.294 -7.220 1.00 0.00 C ATOM 636 C LEU A 42 17.317 2.041 -7.871 1.00 0.00 C ATOM 637 O LEU A 42 16.942 0.891 -8.118 1.00 0.00 O ATOM 638 CB LEU A 42 19.823 1.678 -8.093 1.00 0.00 C ATOM 639 CG LEU A 42 21.278 1.782 -7.521 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.294 1.060 -8.431 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.697 3.254 -7.289 1.00 0.00 C ATOM 0 H LEU A 42 18.500 0.681 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 42 18.853 3.368 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.595 0.625 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.804 2.163 -9.069 1.00 0.00 H new ATOM 0 HG LEU A 42 21.278 1.281 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.293 1.152 -8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 42 22.028 0.006 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.280 1.512 -9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.712 3.285 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.660 3.796 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.015 3.719 -6.577 1.00 0.00 H new ATOM 653 N LEU A 43 16.557 3.114 -8.112 1.00 0.00 N ATOM 654 CA LEU A 43 15.254 3.030 -8.789 1.00 0.00 C ATOM 655 C LEU A 43 15.499 2.975 -10.301 1.00 0.00 C ATOM 656 O LEU A 43 15.690 4.017 -10.933 1.00 0.00 O ATOM 657 CB LEU A 43 14.402 4.263 -8.402 1.00 0.00 C ATOM 658 CG LEU A 43 12.953 4.341 -8.978 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.137 3.083 -8.614 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.246 5.633 -8.503 1.00 0.00 C ATOM 0 H LEU A 43 16.824 4.062 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 43 14.711 2.134 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.335 4.299 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.939 5.157 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 43 13.022 4.377 -10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.133 3.168 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.626 2.200 -9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.074 2.991 -7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.238 5.669 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.193 5.640 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.808 6.502 -8.844 1.00 0.00 H new ATOM 672 N ALA A 44 15.537 1.742 -10.850 1.00 0.00 N ATOM 673 CA ALA A 44 15.873 1.475 -12.269 1.00 0.00 C ATOM 674 C ALA A 44 17.269 2.046 -12.656 1.00 0.00 C ATOM 675 O ALA A 44 17.546 2.278 -13.835 1.00 0.00 O ATOM 676 CB ALA A 44 14.757 1.995 -13.199 1.00 0.00 C ATOM 0 H ALA A 44 15.334 0.896 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 44 15.938 0.395 -12.398 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.022 1.790 -14.236 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.820 1.494 -12.958 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.639 3.070 -13.061 1.00 0.00 H new ATOM 682 N GLY A 45 18.155 2.210 -11.646 1.00 0.00 N ATOM 683 CA GLY A 45 19.496 2.794 -11.842 1.00 0.00 C ATOM 684 C GLY A 45 19.645 4.212 -11.273 1.00 0.00 C ATOM 685 O GLY A 45 20.756 4.744 -11.248 1.00 0.00 O ATOM 0 H GLY A 45 17.960 1.943 -10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.236 2.145 -11.374 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.720 2.815 -12.908 1.00 0.00 H new ATOM 689 N ALA A 46 18.532 4.821 -10.827 1.00 0.00 N ATOM 690 CA ALA A 46 18.542 6.167 -10.204 1.00 0.00 C ATOM 691 C ALA A 46 18.989 6.086 -8.726 1.00 0.00 C ATOM 692 O ALA A 46 18.311 5.427 -7.931 1.00 0.00 O ATOM 693 CB ALA A 46 17.149 6.814 -10.292 1.00 0.00 C ATOM 0 H ALA A 46 17.604 4.402 -10.885 1.00 0.00 H new ATOM 0 HA ALA A 46 19.255 6.784 -10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.176 7.801 -9.830 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.858 6.911 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.424 6.189 -9.771 1.00 0.00 H new ATOM 699 N PRO A 47 20.125 6.754 -8.328 1.00 0.00 N ATOM 700 CA PRO A 47 20.620 6.734 -6.927 1.00 0.00 C ATOM 701 C PRO A 47 19.624 7.385 -5.937 1.00 0.00 C ATOM 702 O PRO A 47 19.489 8.618 -5.879 1.00 0.00 O ATOM 703 CB PRO A 47 21.965 7.511 -7.002 1.00 0.00 C ATOM 704 CG PRO A 47 21.838 8.371 -8.225 1.00 0.00 C ATOM 705 CD PRO A 47 21.017 7.562 -9.207 1.00 0.00 C ATOM 0 HA PRO A 47 20.741 5.720 -6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.125 8.114 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.812 6.830 -7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 47 21.349 9.317 -7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.817 8.612 -8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 47 20.446 8.204 -9.878 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.647 6.928 -9.831 1.00 0.00 H new ATOM 713 N LEU A 48 18.886 6.531 -5.203 1.00 0.00 N ATOM 714 CA LEU A 48 17.929 6.976 -4.179 1.00 0.00 C ATOM 715 C LEU A 48 18.659 7.307 -2.870 1.00 0.00 C ATOM 716 O LEU A 48 19.514 6.537 -2.408 1.00 0.00 O ATOM 717 CB LEU A 48 16.839 5.904 -3.922 1.00 0.00 C ATOM 718 CG LEU A 48 15.897 5.568 -5.120 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.803 4.565 -4.685 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.273 6.846 -5.745 1.00 0.00 C ATOM 0 H LEU A 48 18.938 5.517 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 48 17.440 7.876 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.332 4.984 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.223 6.237 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 48 16.503 5.101 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.156 4.342 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.271 3.645 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.210 5.000 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.625 6.566 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.689 7.372 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.067 7.498 -6.109 1.00 0.00 H new ATOM 732 N GLU A 49 18.293 8.453 -2.284 1.00 0.00 N ATOM 733 CA GLU A 49 18.916 8.983 -1.067 1.00 0.00 C ATOM 734 C GLU A 49 18.310 8.320 0.173 1.00 0.00 C ATOM 735 O GLU A 49 17.096 8.140 0.238 1.00 0.00 O ATOM 736 CB GLU A 49 18.711 10.520 -1.021 1.00 0.00 C ATOM 737 CG GLU A 49 19.178 11.258 -2.294 1.00 0.00 C ATOM 738 CD GLU A 49 20.677 11.069 -2.583 1.00 0.00 C ATOM 739 OE1 GLU A 49 21.502 11.771 -1.957 1.00 0.00 O ATOM 740 OE2 GLU A 49 21.045 10.225 -3.433 1.00 0.00 O ATOM 0 H GLU A 49 17.546 9.045 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 49 19.984 8.763 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.654 10.730 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.250 10.922 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.601 10.900 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.965 12.322 -2.189 1.00 0.00 H new ATOM 747 N ASP A 50 19.165 7.989 1.157 1.00 0.00 N ATOM 748 CA ASP A 50 18.748 7.361 2.438 1.00 0.00 C ATOM 749 C ASP A 50 17.760 8.251 3.218 1.00 0.00 C ATOM 750 O ASP A 50 16.914 7.746 3.954 1.00 0.00 O ATOM 751 CB ASP A 50 19.988 7.086 3.321 1.00 0.00 C ATOM 752 CG ASP A 50 20.944 6.047 2.735 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.561 6.316 1.678 1.00 0.00 O ATOM 754 OD2 ASP A 50 21.097 4.958 3.329 1.00 0.00 O ATOM 0 H ASP A 50 20.171 8.147 1.092 1.00 0.00 H new ATOM 0 HA ASP A 50 18.246 6.425 2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 50 20.529 8.020 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 50 19.656 6.748 4.303 1.00 0.00 H new ATOM 759 N GLU A 51 17.900 9.574 3.036 1.00 0.00 N ATOM 760 CA GLU A 51 17.048 10.596 3.679 1.00 0.00 C ATOM 761 C GLU A 51 15.643 10.630 3.045 1.00 0.00 C ATOM 762 O GLU A 51 14.665 11.026 3.694 1.00 0.00 O ATOM 763 CB GLU A 51 17.728 11.988 3.543 1.00 0.00 C ATOM 764 CG GLU A 51 17.931 12.435 2.080 1.00 0.00 C ATOM 765 CD GLU A 51 18.691 13.757 1.932 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.059 14.833 1.996 1.00 0.00 O ATOM 767 OE2 GLU A 51 19.927 13.728 1.737 1.00 0.00 O ATOM 0 H GLU A 51 18.617 9.973 2.430 1.00 0.00 H new ATOM 0 HA GLU A 51 16.932 10.342 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.122 12.731 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.696 11.961 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.472 11.655 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.956 12.533 1.602 1.00 0.00 H new ATOM 774 N ALA A 52 15.566 10.197 1.776 1.00 0.00 N ATOM 775 CA ALA A 52 14.343 10.263 0.980 1.00 0.00 C ATOM 776 C ALA A 52 13.396 9.109 1.334 1.00 0.00 C ATOM 777 O ALA A 52 13.816 7.955 1.398 1.00 0.00 O ATOM 778 CB ALA A 52 14.680 10.250 -0.524 1.00 0.00 C ATOM 0 H ALA A 52 16.357 9.791 1.277 1.00 0.00 H new ATOM 0 HA ALA A 52 13.834 11.198 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.758 10.300 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.306 11.109 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.214 9.332 -0.769 1.00 0.00 H new ATOM 784 N THR A 53 12.117 9.441 1.565 1.00 0.00 N ATOM 785 CA THR A 53 11.047 8.448 1.759 1.00 0.00 C ATOM 786 C THR A 53 10.575 7.924 0.388 1.00 0.00 C ATOM 787 O THR A 53 10.928 8.513 -0.641 1.00 0.00 O ATOM 788 CB THR A 53 9.860 9.081 2.550 1.00 0.00 C ATOM 789 OG1 THR A 53 9.303 10.184 1.819 1.00 0.00 O ATOM 790 CG2 THR A 53 10.304 9.562 3.944 1.00 0.00 C ATOM 0 H THR A 53 11.794 10.407 1.623 1.00 0.00 H new ATOM 0 HA THR A 53 11.432 7.610 2.341 1.00 0.00 H new ATOM 0 HB THR A 53 9.103 8.308 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.559 10.570 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.452 9.997 4.467 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.687 8.717 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.087 10.313 3.838 1.00 0.00 H new ATOM 798 N LEU A 54 9.782 6.830 0.360 1.00 0.00 N ATOM 799 CA LEU A 54 9.216 6.301 -0.914 1.00 0.00 C ATOM 800 C LEU A 54 8.221 7.317 -1.526 1.00 0.00 C ATOM 801 O LEU A 54 8.077 7.411 -2.759 1.00 0.00 O ATOM 802 CB LEU A 54 8.536 4.904 -0.731 1.00 0.00 C ATOM 803 CG LEU A 54 9.487 3.675 -0.450 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.742 3.675 -1.361 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.875 3.571 1.034 1.00 0.00 C ATOM 0 H LEU A 54 9.518 6.298 1.189 1.00 0.00 H new ATOM 0 HA LEU A 54 10.049 6.160 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.826 4.978 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.959 4.687 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 54 8.911 2.784 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.362 2.809 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.433 3.628 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.314 4.587 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.529 2.711 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.395 4.479 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.976 3.449 1.638 1.00 0.00 H new ATOM 817 N GLY A 55 7.560 8.083 -0.636 1.00 0.00 N ATOM 818 CA GLY A 55 6.680 9.182 -1.031 1.00 0.00 C ATOM 819 C GLY A 55 7.449 10.369 -1.605 1.00 0.00 C ATOM 820 O GLY A 55 6.978 11.015 -2.544 1.00 0.00 O ATOM 0 H GLY A 55 7.626 7.951 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.966 8.823 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.104 9.511 -0.166 1.00 0.00 H new ATOM 824 N GLN A 56 8.651 10.637 -1.047 1.00 0.00 N ATOM 825 CA GLN A 56 9.541 11.735 -1.506 1.00 0.00 C ATOM 826 C GLN A 56 10.172 11.389 -2.869 1.00 0.00 C ATOM 827 O GLN A 56 10.319 12.260 -3.737 1.00 0.00 O ATOM 828 CB GLN A 56 10.645 12.007 -0.447 1.00 0.00 C ATOM 829 CG GLN A 56 11.581 13.195 -0.767 1.00 0.00 C ATOM 830 CD GLN A 56 12.679 13.419 0.279 1.00 0.00 C ATOM 831 OE1 GLN A 56 12.513 13.101 1.457 1.00 0.00 O ATOM 832 NE2 GLN A 56 13.810 13.972 -0.142 1.00 0.00 N ATOM 0 H GLN A 56 9.033 10.102 -0.268 1.00 0.00 H new ATOM 0 HA GLN A 56 8.944 12.639 -1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.167 12.190 0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.250 11.107 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.047 13.027 -1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.984 14.103 -0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.919 14.225 -1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.570 14.144 0.517 1.00 0.00 H new ATOM 841 N CYS A 57 10.524 10.099 -3.037 1.00 0.00 N ATOM 842 CA CYS A 57 11.059 9.549 -4.298 1.00 0.00 C ATOM 843 C CYS A 57 9.959 9.466 -5.379 1.00 0.00 C ATOM 844 O CYS A 57 10.265 9.348 -6.569 1.00 0.00 O ATOM 845 CB CYS A 57 11.673 8.147 -4.049 1.00 0.00 C ATOM 846 SG CYS A 57 13.055 8.137 -2.879 1.00 0.00 S ATOM 0 H CYS A 57 10.444 9.404 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 57 11.838 10.221 -4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.893 7.482 -3.678 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.014 7.738 -5.000 1.00 0.00 H new ATOM 0 HG CYS A 57 12.601 8.285 -1.670 1.00 0.00 H new ATOM 852 N GLY A 58 8.682 9.511 -4.938 1.00 0.00 N ATOM 853 CA GLY A 58 7.529 9.490 -5.844 1.00 0.00 C ATOM 854 C GLY A 58 7.398 8.176 -6.594 1.00 0.00 C ATOM 855 O GLY A 58 6.893 8.142 -7.719 1.00 0.00 O ATOM 0 H GLY A 58 8.431 9.562 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.619 9.669 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.621 10.306 -6.561 1.00 0.00 H new ATOM 859 N VAL A 59 7.864 7.088 -5.961 1.00 0.00 N ATOM 860 CA VAL A 59 7.836 5.745 -6.557 1.00 0.00 C ATOM 861 C VAL A 59 6.484 5.074 -6.253 1.00 0.00 C ATOM 862 O VAL A 59 5.998 5.136 -5.121 1.00 0.00 O ATOM 863 CB VAL A 59 9.052 4.859 -6.062 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.147 4.796 -4.525 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.006 3.439 -6.673 1.00 0.00 C ATOM 0 H VAL A 59 8.269 7.115 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 59 7.944 5.841 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 59 9.957 5.351 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.997 4.177 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.281 5.802 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.231 4.365 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.855 2.860 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.079 2.946 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.051 3.509 -7.760 1.00 0.00 H new ATOM 875 N GLU A 60 5.868 4.476 -7.285 1.00 0.00 N ATOM 876 CA GLU A 60 4.563 3.797 -7.172 1.00 0.00 C ATOM 877 C GLU A 60 4.730 2.371 -6.618 1.00 0.00 C ATOM 878 O GLU A 60 5.853 1.880 -6.426 1.00 0.00 O ATOM 879 CB GLU A 60 3.872 3.768 -8.567 1.00 0.00 C ATOM 880 CG GLU A 60 4.673 3.019 -9.664 1.00 0.00 C ATOM 881 CD GLU A 60 4.084 3.161 -11.078 1.00 0.00 C ATOM 882 OE1 GLU A 60 4.163 4.271 -11.651 1.00 0.00 O ATOM 883 OE2 GLU A 60 3.539 2.178 -11.623 1.00 0.00 O ATOM 0 H GLU A 60 6.261 4.449 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 60 3.936 4.351 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.894 3.299 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.701 4.793 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.697 3.392 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.720 1.961 -9.406 1.00 0.00 H new ATOM 890 N ALA A 61 3.593 1.714 -6.365 1.00 0.00 N ATOM 891 CA ALA A 61 3.555 0.321 -5.920 1.00 0.00 C ATOM 892 C ALA A 61 3.920 -0.637 -7.081 1.00 0.00 C ATOM 893 O ALA A 61 3.852 -0.260 -8.258 1.00 0.00 O ATOM 894 CB ALA A 61 2.165 0.004 -5.349 1.00 0.00 C ATOM 0 H ALA A 61 2.670 2.137 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 61 4.296 0.174 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.136 -1.034 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.960 0.661 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.411 0.160 -6.120 1.00 0.00 H new ATOM 900 N LEU A 62 4.315 -1.867 -6.702 1.00 0.00 N ATOM 901 CA LEU A 62 4.712 -2.969 -7.613 1.00 0.00 C ATOM 902 C LEU A 62 5.996 -2.653 -8.420 1.00 0.00 C ATOM 903 O LEU A 62 6.343 -3.390 -9.348 1.00 0.00 O ATOM 904 CB LEU A 62 3.538 -3.426 -8.555 1.00 0.00 C ATOM 905 CG LEU A 62 2.302 -4.137 -7.879 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.746 -5.295 -6.953 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.383 -3.139 -7.134 1.00 0.00 C ATOM 0 H LEU A 62 4.370 -2.135 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 62 4.950 -3.811 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.172 -2.548 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.950 -4.104 -9.302 1.00 0.00 H new ATOM 0 HG LEU A 62 1.711 -4.568 -8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.868 -5.760 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.293 -6.037 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.390 -4.904 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.548 -3.678 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.951 -2.636 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.002 -2.400 -7.838 1.00 0.00 H new ATOM 919 N THR A 63 6.718 -1.583 -8.035 1.00 0.00 N ATOM 920 CA THR A 63 7.983 -1.204 -8.677 1.00 0.00 C ATOM 921 C THR A 63 9.146 -1.993 -8.042 1.00 0.00 C ATOM 922 O THR A 63 9.043 -2.424 -6.899 1.00 0.00 O ATOM 923 CB THR A 63 8.217 0.339 -8.558 1.00 0.00 C ATOM 924 OG1 THR A 63 7.030 1.025 -8.976 1.00 0.00 O ATOM 925 CG2 THR A 63 9.392 0.826 -9.429 1.00 0.00 C ATOM 0 H THR A 63 6.439 -0.963 -7.274 1.00 0.00 H new ATOM 0 HA THR A 63 7.935 -1.452 -9.737 1.00 0.00 H new ATOM 0 HB THR A 63 8.458 0.553 -7.517 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.550 1.357 -8.189 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.511 1.903 -9.310 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.308 0.323 -9.119 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.189 0.597 -10.475 1.00 0.00 H new ATOM 933 N THR A 64 10.237 -2.191 -8.792 1.00 0.00 N ATOM 934 CA THR A 64 11.394 -2.969 -8.328 1.00 0.00 C ATOM 935 C THR A 64 12.625 -2.056 -8.185 1.00 0.00 C ATOM 936 O THR A 64 13.091 -1.458 -9.156 1.00 0.00 O ATOM 937 CB THR A 64 11.684 -4.159 -9.286 1.00 0.00 C ATOM 938 OG1 THR A 64 10.486 -4.928 -9.461 1.00 0.00 O ATOM 939 CG2 THR A 64 12.782 -5.089 -8.742 1.00 0.00 C ATOM 0 H THR A 64 10.343 -1.818 -9.735 1.00 0.00 H new ATOM 0 HA THR A 64 11.162 -3.386 -7.348 1.00 0.00 H new ATOM 0 HB THR A 64 12.028 -3.740 -10.232 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.664 -5.678 -10.066 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.949 -5.905 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.706 -4.525 -8.614 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.470 -5.497 -7.781 1.00 0.00 H new ATOM 947 N LEU A 65 13.093 -1.929 -6.942 1.00 0.00 N ATOM 948 CA LEU A 65 14.240 -1.100 -6.553 1.00 0.00 C ATOM 949 C LEU A 65 15.445 -2.030 -6.314 1.00 0.00 C ATOM 950 O LEU A 65 15.361 -2.928 -5.476 1.00 0.00 O ATOM 951 CB LEU A 65 13.893 -0.307 -5.250 1.00 0.00 C ATOM 952 CG LEU A 65 12.863 0.889 -5.360 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.473 0.455 -5.874 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.727 1.631 -4.004 1.00 0.00 C ATOM 0 H LEU A 65 12.672 -2.416 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 65 14.480 -0.382 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.503 -1.017 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.823 0.090 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 65 13.274 1.571 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.816 1.324 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.573 0.017 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.047 -0.282 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.013 2.448 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.375 0.935 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.697 2.031 -3.709 1.00 0.00 H new ATOM 966 N GLU A 66 16.558 -1.813 -7.044 1.00 0.00 N ATOM 967 CA GLU A 66 17.717 -2.737 -7.044 1.00 0.00 C ATOM 968 C GLU A 66 18.794 -2.305 -6.032 1.00 0.00 C ATOM 969 O GLU A 66 19.009 -1.122 -5.812 1.00 0.00 O ATOM 970 CB GLU A 66 18.310 -2.818 -8.473 1.00 0.00 C ATOM 971 CG GLU A 66 19.494 -3.796 -8.636 1.00 0.00 C ATOM 972 CD GLU A 66 19.940 -3.970 -10.100 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.556 -3.041 -10.656 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.674 -5.033 -10.698 1.00 0.00 O ATOM 0 H GLU A 66 16.681 -0.999 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 66 17.369 -3.723 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.518 -3.112 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.638 -1.822 -8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.337 -3.437 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.213 -4.768 -8.231 1.00 0.00 H new ATOM 981 N VAL A 67 19.458 -3.295 -5.424 1.00 0.00 N ATOM 982 CA VAL A 67 20.556 -3.089 -4.469 1.00 0.00 C ATOM 983 C VAL A 67 21.913 -3.148 -5.204 1.00 0.00 C ATOM 984 O VAL A 67 22.117 -3.999 -6.073 1.00 0.00 O ATOM 985 CB VAL A 67 20.492 -4.183 -3.327 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.706 -4.115 -2.372 1.00 0.00 C ATOM 987 CG2 VAL A 67 19.166 -4.079 -2.530 1.00 0.00 C ATOM 0 H VAL A 67 19.244 -4.279 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 67 20.453 -2.105 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 67 20.528 -5.153 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.612 -4.887 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.624 -4.275 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.740 -3.135 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 67 19.148 -4.842 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 67 19.093 -3.092 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 67 18.323 -4.229 -3.205 1.00 0.00 H new ATOM 997 N ALA A 68 22.810 -2.206 -4.875 1.00 0.00 N ATOM 998 CA ALA A 68 24.221 -2.207 -5.329 1.00 0.00 C ATOM 999 C ALA A 68 25.151 -2.064 -4.114 1.00 0.00 C ATOM 1000 O ALA A 68 24.842 -1.304 -3.198 1.00 0.00 O ATOM 1001 CB ALA A 68 24.469 -1.062 -6.321 1.00 0.00 C ATOM 0 H ALA A 68 22.580 -1.410 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 68 24.429 -3.150 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.510 -1.079 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.819 -1.184 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.254 -0.109 -5.838 1.00 0.00 H new ATOM 1007 N GLY A 69 26.284 -2.777 -4.115 1.00 0.00 N ATOM 1008 CA GLY A 69 27.246 -2.727 -3.002 1.00 0.00 C ATOM 1009 C GLY A 69 28.349 -1.707 -3.248 1.00 0.00 C ATOM 1010 O GLY A 69 29.366 -2.039 -3.868 1.00 0.00 O ATOM 0 H GLY A 69 26.560 -3.398 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.721 -2.478 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.689 -3.713 -2.861 1.00 0.00 H new ATOM 1014 N ARG A 70 28.153 -0.452 -2.774 1.00 0.00 N ATOM 1015 CA ARG A 70 29.075 0.673 -3.076 1.00 0.00 C ATOM 1016 C ARG A 70 29.653 1.303 -1.796 1.00 0.00 C ATOM 1017 O ARG A 70 30.858 1.175 -1.533 1.00 0.00 O ATOM 1018 CB ARG A 70 28.365 1.756 -3.939 1.00 0.00 C ATOM 1019 CG ARG A 70 27.873 1.250 -5.317 1.00 0.00 C ATOM 1020 CD ARG A 70 27.482 2.397 -6.257 1.00 0.00 C ATOM 1021 NE ARG A 70 28.640 3.268 -6.574 1.00 0.00 N ATOM 1022 CZ ARG A 70 28.642 4.252 -7.488 1.00 0.00 C ATOM 1023 NH1 ARG A 70 27.543 4.565 -8.161 1.00 0.00 N ATOM 1024 NH2 ARG A 70 29.752 4.935 -7.712 1.00 0.00 N ATOM 0 H ARG A 70 27.365 -0.193 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 70 29.907 0.260 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 70 27.513 2.146 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 70 29.052 2.588 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 70 28.657 0.654 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 70 27.015 0.593 -5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 70 27.072 1.987 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 70 26.694 2.993 -5.796 1.00 0.00 H new ATOM 0 HE ARG A 70 29.504 3.107 -6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 70 26.677 4.055 -7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 70 27.564 5.316 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 70 30.601 4.713 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 70 29.759 5.683 -8.405 1.00 0.00 H new ATOM 1038 N MET A 71 28.788 1.979 -1.012 1.00 0.00 N ATOM 1039 CA MET A 71 29.200 2.745 0.188 1.00 0.00 C ATOM 1040 C MET A 71 29.848 1.820 1.245 1.00 0.00 C ATOM 1041 O MET A 71 29.412 0.693 1.436 1.00 0.00 O ATOM 1042 CB MET A 71 27.971 3.497 0.779 1.00 0.00 C ATOM 1043 CG MET A 71 28.232 4.267 2.092 1.00 0.00 C ATOM 1044 SD MET A 71 29.400 5.628 1.900 1.00 0.00 S ATOM 1045 CE MET A 71 28.504 6.723 0.800 1.00 0.00 C ATOM 0 H MET A 71 27.784 2.011 -1.191 1.00 0.00 H new ATOM 0 HA MET A 71 29.952 3.478 -0.106 1.00 0.00 H new ATOM 0 HB2 MET A 71 27.604 4.201 0.032 1.00 0.00 H new ATOM 0 HB3 MET A 71 27.174 2.774 0.954 1.00 0.00 H new ATOM 0 HG2 MET A 71 27.287 4.658 2.470 1.00 0.00 H new ATOM 0 HG3 MET A 71 28.612 3.574 2.842 1.00 0.00 H new ATOM 0 HE1 MET A 71 28.962 7.712 0.818 1.00 0.00 H new ATOM 0 HE2 MET A 71 28.537 6.326 -0.215 1.00 0.00 H new ATOM 0 HE3 MET A 71 27.467 6.798 1.127 1.00 0.00 H new ATOM 1055 N LEU A 72 30.916 2.314 1.890 1.00 0.00 N ATOM 1056 CA LEU A 72 31.642 1.581 2.938 1.00 0.00 C ATOM 1057 C LEU A 72 32.235 2.610 3.916 1.00 0.00 C ATOM 1058 O LEU A 72 33.056 3.448 3.524 1.00 0.00 O ATOM 1059 CB LEU A 72 32.728 0.661 2.272 1.00 0.00 C ATOM 1060 CG LEU A 72 33.576 -0.308 3.196 1.00 0.00 C ATOM 1061 CD1 LEU A 72 34.795 0.398 3.844 1.00 0.00 C ATOM 1062 CD2 LEU A 72 32.685 -0.985 4.276 1.00 0.00 C ATOM 0 H LEU A 72 31.302 3.238 1.698 1.00 0.00 H new ATOM 0 HA LEU A 72 30.983 0.923 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 72 32.227 0.048 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 72 33.427 1.307 1.741 1.00 0.00 H new ATOM 0 HG LEU A 72 33.973 -1.086 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 72 35.339 -0.313 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 72 35.454 0.776 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 72 34.450 1.228 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 72 33.297 -1.643 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 72 32.229 -0.219 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 72 31.903 -1.568 3.789 1.00 0.00 H new ATOM 1074 N GLY A 73 31.796 2.551 5.181 1.00 0.00 N ATOM 1075 CA GLY A 73 32.218 3.512 6.207 1.00 0.00 C ATOM 1076 C GLY A 73 32.573 2.827 7.515 1.00 0.00 C ATOM 1077 O GLY A 73 32.199 3.302 8.597 1.00 0.00 O ATOM 0 H GLY A 73 31.145 1.843 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 73 33.080 4.073 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 73 31.418 4.232 6.380 1.00 0.00 H new ATOM 1081 N GLY A 74 33.313 1.715 7.413 1.00 0.00 N ATOM 1082 CA GLY A 74 33.705 0.920 8.578 1.00 0.00 C ATOM 1083 C GLY A 74 34.958 0.089 8.317 1.00 0.00 C ATOM 1084 O GLY A 74 35.725 -0.175 9.270 1.00 0.00 O ATOM 1085 OXT GLY A 74 35.186 -0.316 7.161 1.00 0.00 O ATOM 0 H GLY A 74 33.654 1.345 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 74 33.881 1.583 9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 74 32.885 0.259 8.857 1.00 0.00 H new TER 1089 GLY A 74