USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 4 LYS NZ :NH3+ -157:sc= -0.157 (180deg=-0.699) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.191 (180deg=-0.878) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0125 (180deg=-0.245) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0592) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -8.52! C(o=-8.5!,f=-2.6!) USER MOD Single : A 16 GLN : amide:sc= -7.76! K(o=-7.8!,f=-1.4) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.134 USER MOD Single : A 27 GLN : amide:sc= -11.3! C(o=-11!,f=-8.1!) USER MOD Single : A 28 LYS NZ :NH3+ 133:sc= -0.0114 (180deg=-0.267) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= -4.57! (180deg=-4.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.3! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.046) USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.415 USER MOD Single : A 56 GLN : amide:sc= -4.1! K(o=-4.1!,f=-0.29) USER MOD Single : A 60 THR OG1 : rot 55:sc= -2.17! USER MOD Single : A 61 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.355 8.699 6.101 1.00 0.00 N ATOM 2 CA MET A 1 -4.390 9.547 6.749 1.00 0.00 C ATOM 3 C MET A 1 -5.264 8.727 7.693 1.00 0.00 C ATOM 4 O MET A 1 -6.485 8.677 7.542 1.00 0.00 O ATOM 5 CB MET A 1 -5.246 10.192 5.654 1.00 0.00 C ATOM 6 CG MET A 1 -4.470 11.151 4.766 1.00 0.00 C ATOM 7 SD MET A 1 -5.509 11.943 3.522 1.00 0.00 S ATOM 8 CE MET A 1 -6.685 12.807 4.561 1.00 0.00 C ATOM 0 H1 MET A 1 -2.636 9.306 5.658 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.904 8.094 6.817 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.800 8.102 5.375 1.00 0.00 H new ATOM 0 HA MET A 1 -3.902 10.318 7.345 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.682 9.408 5.035 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.073 10.728 6.119 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.004 11.917 5.386 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.665 10.609 4.270 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.196 13.571 3.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.416 12.098 4.950 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.159 13.278 5.392 1.00 0.00 H new ATOM 20 N ARG A 2 -4.624 8.087 8.669 1.00 0.00 N ATOM 21 CA ARG A 2 -5.327 7.264 9.652 1.00 0.00 C ATOM 22 C ARG A 2 -5.990 6.053 9.005 1.00 0.00 C ATOM 23 O ARG A 2 -6.622 5.247 9.688 1.00 0.00 O ATOM 24 CB ARG A 2 -6.365 8.096 10.405 1.00 0.00 C ATOM 25 CG ARG A 2 -5.748 9.172 11.280 1.00 0.00 C ATOM 26 CD ARG A 2 -6.822 9.981 12.011 1.00 0.00 C ATOM 27 NE ARG A 2 -7.637 9.141 12.887 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.156 8.478 13.936 1.00 0.00 C ATOM 29 NH1 ARG A 2 -5.870 8.568 14.251 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.963 7.729 14.674 1.00 0.00 N ATOM 0 H ARG A 2 -3.613 8.123 8.801 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.584 6.897 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.038 8.563 9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.970 7.435 11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.079 8.712 12.007 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.142 9.839 10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.347 10.766 12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.464 10.474 11.281 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.633 9.058 12.682 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.246 9.147 13.688 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.505 8.058 15.056 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.953 7.661 14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.594 7.221 15.478 1.00 0.00 H new ATOM 44 N LYS A 3 -5.832 5.917 7.693 1.00 0.00 N ATOM 45 CA LYS A 3 -6.406 4.786 6.979 1.00 0.00 C ATOM 46 C LYS A 3 -5.351 3.714 6.774 1.00 0.00 C ATOM 47 O LYS A 3 -4.692 3.657 5.735 1.00 0.00 O ATOM 48 CB LYS A 3 -6.985 5.215 5.642 1.00 0.00 C ATOM 49 CG LYS A 3 -7.941 4.183 5.087 1.00 0.00 C ATOM 50 CD LYS A 3 -8.550 4.615 3.773 1.00 0.00 C ATOM 51 CE LYS A 3 -9.603 3.622 3.337 1.00 0.00 C ATOM 52 NZ LYS A 3 -10.862 3.765 4.120 1.00 0.00 N ATOM 0 H LYS A 3 -5.315 6.572 7.107 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.219 4.380 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.505 6.166 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.175 5.380 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.413 3.239 4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.735 4.000 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.994 5.605 3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.774 4.692 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.817 3.762 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.217 2.609 3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.610 3.189 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.702 3.443 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.154 4.763 4.128 1.00 0.00 H new ATOM 66 N LYS A 4 -5.194 2.873 7.783 1.00 0.00 N ATOM 67 CA LYS A 4 -4.223 1.802 7.749 1.00 0.00 C ATOM 68 C LYS A 4 -4.934 0.459 7.720 1.00 0.00 C ATOM 69 O LYS A 4 -6.008 0.310 8.303 1.00 0.00 O ATOM 70 CB LYS A 4 -3.301 1.889 8.969 1.00 0.00 C ATOM 71 CG LYS A 4 -4.035 1.727 10.305 1.00 0.00 C ATOM 72 CD LYS A 4 -4.843 2.969 10.662 1.00 0.00 C ATOM 73 CE LYS A 4 -3.966 4.062 11.251 1.00 0.00 C ATOM 74 NZ LYS A 4 -3.305 3.625 12.511 1.00 0.00 N ATOM 0 H LYS A 4 -5.737 2.917 8.645 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.618 1.899 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.534 1.119 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.789 2.851 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.699 0.864 10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.312 1.525 11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.344 3.346 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.622 2.703 11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.207 4.350 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.571 4.947 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.049 4.460 13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.957 3.025 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.446 3.085 12.283 1.00 0.00 H new ATOM 88 N LEU A 5 -4.346 -0.521 7.044 1.00 0.00 N ATOM 89 CA LEU A 5 -4.963 -1.835 6.967 1.00 0.00 C ATOM 90 C LEU A 5 -3.934 -2.921 6.696 1.00 0.00 C ATOM 91 O LEU A 5 -2.870 -2.662 6.132 1.00 0.00 O ATOM 92 CB LEU A 5 -6.048 -1.873 5.882 1.00 0.00 C ATOM 93 CG LEU A 5 -5.547 -1.757 4.433 1.00 0.00 C ATOM 94 CD1 LEU A 5 -6.701 -1.933 3.456 1.00 0.00 C ATOM 95 CD2 LEU A 5 -4.854 -0.417 4.192 1.00 0.00 C ATOM 0 H LEU A 5 -3.458 -0.432 6.550 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.422 -2.027 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.603 -2.806 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.752 -1.062 6.070 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.818 -2.550 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.329 -1.848 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.151 -2.916 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.450 -1.162 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.511 -0.365 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.556 0.395 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.000 -0.323 4.863 1.00 0.00 H new ATOM 107 N ASP A 6 -4.272 -4.143 7.089 1.00 0.00 N ATOM 108 CA ASP A 6 -3.396 -5.284 6.878 1.00 0.00 C ATOM 109 C ASP A 6 -3.206 -5.523 5.380 1.00 0.00 C ATOM 110 O ASP A 6 -3.984 -6.250 4.771 1.00 0.00 O ATOM 111 CB ASP A 6 -3.997 -6.533 7.530 1.00 0.00 C ATOM 112 CG ASP A 6 -3.080 -7.738 7.439 1.00 0.00 C ATOM 113 OD1 ASP A 6 -1.958 -7.594 6.908 1.00 0.00 O ATOM 114 OD2 ASP A 6 -3.482 -8.825 7.903 1.00 0.00 O ATOM 0 H ASP A 6 -5.150 -4.368 7.557 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.428 -5.076 7.333 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.212 -6.323 8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.947 -6.767 7.050 1.00 0.00 H new ATOM 119 N LEU A 7 -2.188 -4.898 4.780 1.00 0.00 N ATOM 120 CA LEU A 7 -1.937 -5.055 3.347 1.00 0.00 C ATOM 121 C LEU A 7 -2.117 -6.504 2.916 1.00 0.00 C ATOM 122 O LEU A 7 -2.539 -6.775 1.794 1.00 0.00 O ATOM 123 CB LEU A 7 -0.522 -4.591 2.992 1.00 0.00 C ATOM 124 CG LEU A 7 -0.189 -4.635 1.497 1.00 0.00 C ATOM 125 CD1 LEU A 7 -1.105 -3.713 0.703 1.00 0.00 C ATOM 126 CD2 LEU A 7 1.266 -4.276 1.258 1.00 0.00 C ATOM 0 H LEU A 7 -1.530 -4.284 5.261 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.662 -4.437 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.389 -3.570 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.195 -5.213 3.528 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.353 -5.655 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.846 -3.765 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.141 -4.025 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.985 -2.689 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.479 -4.314 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.459 -3.270 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.907 -4.986 1.781 1.00 0.00 H new ATOM 138 N LYS A 8 -1.805 -7.431 3.815 1.00 0.00 N ATOM 139 CA LYS A 8 -1.950 -8.847 3.517 1.00 0.00 C ATOM 140 C LYS A 8 -3.391 -9.157 3.134 1.00 0.00 C ATOM 141 O LYS A 8 -3.643 -9.825 2.136 1.00 0.00 O ATOM 142 CB LYS A 8 -1.524 -9.697 4.717 1.00 0.00 C ATOM 143 CG LYS A 8 -1.656 -11.196 4.481 1.00 0.00 C ATOM 144 CD LYS A 8 -1.116 -11.997 5.656 1.00 0.00 C ATOM 145 CE LYS A 8 -1.890 -11.713 6.934 1.00 0.00 C ATOM 146 NZ LYS A 8 -1.367 -12.497 8.086 1.00 0.00 N ATOM 0 H LYS A 8 -1.452 -7.227 4.750 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.302 -9.092 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.488 -9.467 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.128 -9.419 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.704 -11.449 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.117 -11.471 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.170 -13.061 5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.064 -11.757 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.834 -10.649 7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.943 -11.951 6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.921 -12.275 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.444 -13.513 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.370 -12.252 8.249 1.00 0.00 H new ATOM 160 N LYS A 9 -4.333 -8.651 3.927 1.00 0.00 N ATOM 161 CA LYS A 9 -5.755 -8.865 3.661 1.00 0.00 C ATOM 162 C LYS A 9 -6.135 -8.267 2.308 1.00 0.00 C ATOM 163 O LYS A 9 -6.947 -8.831 1.575 1.00 0.00 O ATOM 164 CB LYS A 9 -6.624 -8.234 4.763 1.00 0.00 C ATOM 165 CG LYS A 9 -6.762 -6.722 4.657 1.00 0.00 C ATOM 166 CD LYS A 9 -8.221 -6.291 4.625 1.00 0.00 C ATOM 167 CE LYS A 9 -8.934 -6.802 3.381 1.00 0.00 C ATOM 168 NZ LYS A 9 -10.360 -6.375 3.343 1.00 0.00 N ATOM 0 H LYS A 9 -4.139 -8.091 4.757 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.935 -9.940 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.617 -8.682 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.196 -8.482 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.262 -6.251 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.260 -6.373 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.730 -6.663 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.279 -5.203 4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.421 -6.435 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.880 -7.890 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.810 -6.743 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.856 -6.747 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.411 -5.336 3.344 1.00 0.00 H new ATOM 182 N PHE A 10 -5.544 -7.114 1.986 1.00 0.00 N ATOM 183 CA PHE A 10 -5.827 -6.439 0.725 1.00 0.00 C ATOM 184 C PHE A 10 -5.309 -7.271 -0.442 1.00 0.00 C ATOM 185 O PHE A 10 -5.992 -7.445 -1.452 1.00 0.00 O ATOM 186 CB PHE A 10 -5.201 -5.039 0.708 1.00 0.00 C ATOM 187 CG PHE A 10 -5.643 -4.176 -0.457 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.996 -3.993 -0.730 1.00 0.00 C ATOM 189 CD2 PHE A 10 -4.714 -3.540 -1.279 1.00 0.00 C ATOM 190 CE1 PHE A 10 -7.407 -3.203 -1.785 1.00 0.00 C ATOM 191 CE2 PHE A 10 -5.128 -2.750 -2.335 1.00 0.00 C ATOM 192 CZ PHE A 10 -6.474 -2.582 -2.586 1.00 0.00 C ATOM 0 H PHE A 10 -4.870 -6.633 2.581 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.907 -6.329 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.451 -4.530 1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.116 -5.139 0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.735 -4.476 -0.107 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.658 -3.666 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.461 -3.072 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.397 -2.264 -2.964 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.796 -1.964 -3.411 1.00 0.00 H new ATOM 202 N VAL A 11 -4.105 -7.804 -0.276 1.00 0.00 N ATOM 203 CA VAL A 11 -3.484 -8.650 -1.287 1.00 0.00 C ATOM 204 C VAL A 11 -4.259 -9.948 -1.433 1.00 0.00 C ATOM 205 O VAL A 11 -4.414 -10.486 -2.528 1.00 0.00 O ATOM 206 CB VAL A 11 -2.027 -8.997 -0.911 1.00 0.00 C ATOM 207 CG1 VAL A 11 -1.515 -10.138 -1.760 1.00 0.00 C ATOM 208 CG2 VAL A 11 -1.130 -7.786 -1.061 1.00 0.00 C ATOM 0 H VAL A 11 -3.535 -7.663 0.558 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.492 -8.094 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.013 -9.308 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.487 -10.367 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.139 -11.018 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.549 -9.853 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.109 -8.054 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.153 -7.442 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.482 -6.989 -0.405 1.00 0.00 H new ATOM 218 N GLU A 12 -4.722 -10.443 -0.300 1.00 0.00 N ATOM 219 CA GLU A 12 -5.467 -11.691 -0.242 1.00 0.00 C ATOM 220 C GLU A 12 -6.717 -11.658 -1.118 1.00 0.00 C ATOM 221 O GLU A 12 -7.285 -12.704 -1.434 1.00 0.00 O ATOM 222 CB GLU A 12 -5.833 -12.008 1.207 1.00 0.00 C ATOM 223 CG GLU A 12 -4.647 -12.487 2.029 1.00 0.00 C ATOM 224 CD GLU A 12 -4.134 -13.844 1.586 1.00 0.00 C ATOM 225 OE1 GLU A 12 -3.697 -13.965 0.422 1.00 0.00 O ATOM 226 OE2 GLU A 12 -4.170 -14.787 2.404 1.00 0.00 O ATOM 0 H GLU A 12 -4.593 -9.993 0.606 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.826 -12.480 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.254 -11.117 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.610 -12.773 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.841 -11.757 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.935 -12.538 3.079 1.00 0.00 H new ATOM 233 N ASP A 13 -7.138 -10.462 -1.515 1.00 0.00 N ATOM 234 CA ASP A 13 -8.317 -10.316 -2.363 1.00 0.00 C ATOM 235 C ASP A 13 -8.110 -11.048 -3.688 1.00 0.00 C ATOM 236 O ASP A 13 -9.037 -11.649 -4.232 1.00 0.00 O ATOM 237 CB ASP A 13 -8.610 -8.835 -2.617 1.00 0.00 C ATOM 238 CG ASP A 13 -9.852 -8.628 -3.461 1.00 0.00 C ATOM 239 OD1 ASP A 13 -10.942 -9.058 -3.029 1.00 0.00 O ATOM 240 OD2 ASP A 13 -9.735 -8.035 -4.554 1.00 0.00 O ATOM 0 H ASP A 13 -6.684 -9.584 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.171 -10.757 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.733 -8.323 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.755 -8.379 -3.116 1.00 0.00 H new ATOM 245 N LYS A 14 -6.879 -10.999 -4.187 1.00 0.00 N ATOM 246 CA LYS A 14 -6.514 -11.659 -5.437 1.00 0.00 C ATOM 247 C LYS A 14 -5.076 -12.163 -5.364 1.00 0.00 C ATOM 248 O LYS A 14 -4.804 -13.350 -5.546 1.00 0.00 O ATOM 249 CB LYS A 14 -6.660 -10.703 -6.612 1.00 0.00 C ATOM 250 CG LYS A 14 -8.107 -10.331 -6.895 1.00 0.00 C ATOM 251 CD LYS A 14 -8.333 -10.136 -8.376 1.00 0.00 C ATOM 252 CE LYS A 14 -7.556 -8.947 -8.917 1.00 0.00 C ATOM 253 NZ LYS A 14 -7.961 -8.603 -10.308 1.00 0.00 N ATOM 0 H LYS A 14 -6.109 -10.503 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.186 -12.504 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.090 -9.796 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.227 -11.160 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.768 -11.114 -6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.363 -9.416 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.035 -11.038 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.397 -9.991 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.715 -8.085 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.489 -9.170 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.407 -7.787 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.786 -9.416 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.973 -8.365 -10.326 1.00 0.00 H new ATOM 267 N ASN A 15 -4.171 -11.229 -5.079 1.00 0.00 N ATOM 268 CA ASN A 15 -2.743 -11.497 -4.951 1.00 0.00 C ATOM 269 C ASN A 15 -2.001 -10.166 -4.899 1.00 0.00 C ATOM 270 O ASN A 15 -2.569 -9.157 -4.478 1.00 0.00 O ATOM 271 CB ASN A 15 -2.216 -12.360 -6.109 1.00 0.00 C ATOM 272 CG ASN A 15 -2.314 -11.665 -7.458 1.00 0.00 C ATOM 273 OD1 ASN A 15 -3.412 -11.384 -7.938 1.00 0.00 O ATOM 274 ND2 ASN A 15 -1.169 -11.371 -8.076 1.00 0.00 N ATOM 0 H ASN A 15 -4.415 -10.250 -4.928 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.573 -12.060 -4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.176 -12.622 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.778 -13.293 -6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.184 -10.897 -8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.279 -11.620 -7.646 1.00 0.00 H new ATOM 281 N GLN A 16 -0.746 -10.148 -5.324 1.00 0.00 N ATOM 282 CA GLN A 16 0.026 -8.911 -5.308 1.00 0.00 C ATOM 283 C GLN A 16 -0.240 -8.066 -6.546 1.00 0.00 C ATOM 284 O GLN A 16 0.136 -6.896 -6.599 1.00 0.00 O ATOM 285 CB GLN A 16 1.525 -9.196 -5.164 1.00 0.00 C ATOM 286 CG GLN A 16 1.967 -10.565 -5.660 1.00 0.00 C ATOM 287 CD GLN A 16 2.062 -10.692 -7.175 1.00 0.00 C ATOM 288 OE1 GLN A 16 2.516 -11.717 -7.685 1.00 0.00 O ATOM 289 NE2 GLN A 16 1.629 -9.673 -7.910 1.00 0.00 N ATOM 0 H GLN A 16 -0.245 -10.962 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.300 -8.340 -4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.079 -8.432 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.799 -9.100 -4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.941 -10.796 -5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.267 -11.314 -5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.259 -8.838 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.667 -9.726 -8.928 1.00 0.00 H new ATOM 298 N GLU A 17 -0.886 -8.660 -7.542 1.00 0.00 N ATOM 299 CA GLU A 17 -1.192 -7.955 -8.772 1.00 0.00 C ATOM 300 C GLU A 17 -2.266 -6.902 -8.531 1.00 0.00 C ATOM 301 O GLU A 17 -2.136 -5.757 -8.960 1.00 0.00 O ATOM 302 CB GLU A 17 -1.663 -8.932 -9.843 1.00 0.00 C ATOM 303 CG GLU A 17 -1.624 -8.334 -11.228 1.00 0.00 C ATOM 304 CD GLU A 17 -2.325 -9.191 -12.265 1.00 0.00 C ATOM 305 OE1 GLU A 17 -2.846 -10.265 -11.896 1.00 0.00 O ATOM 306 OE2 GLU A 17 -2.352 -8.789 -13.447 1.00 0.00 O ATOM 0 H GLU A 17 -1.206 -9.628 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.283 -7.462 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.036 -9.823 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.680 -9.251 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.089 -7.348 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.586 -8.190 -11.526 1.00 0.00 H new ATOM 313 N TYR A 18 -3.324 -7.303 -7.835 1.00 0.00 N ATOM 314 CA TYR A 18 -4.427 -6.402 -7.521 1.00 0.00 C ATOM 315 C TYR A 18 -3.960 -5.294 -6.595 1.00 0.00 C ATOM 316 O TYR A 18 -4.294 -4.124 -6.780 1.00 0.00 O ATOM 317 CB TYR A 18 -5.565 -7.170 -6.850 1.00 0.00 C ATOM 318 CG TYR A 18 -6.709 -6.290 -6.395 1.00 0.00 C ATOM 319 CD1 TYR A 18 -7.460 -5.571 -7.315 1.00 0.00 C ATOM 320 CD2 TYR A 18 -7.037 -6.175 -5.047 1.00 0.00 C ATOM 321 CE1 TYR A 18 -8.503 -4.761 -6.907 1.00 0.00 C ATOM 322 CE2 TYR A 18 -8.077 -5.368 -4.633 1.00 0.00 C ATOM 323 CZ TYR A 18 -8.806 -4.662 -5.566 1.00 0.00 C ATOM 324 OH TYR A 18 -9.843 -3.855 -5.156 1.00 0.00 O ATOM 0 H TYR A 18 -3.441 -8.251 -7.476 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.784 -5.965 -8.454 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.947 -7.916 -7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.169 -7.710 -5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.225 -5.646 -8.367 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.468 -6.726 -4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.078 -4.208 -7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.319 -5.290 -3.583 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.925 -3.898 -4.180 1.00 0.00 H new ATOM 334 N ALA A 19 -3.189 -5.683 -5.593 1.00 0.00 N ATOM 335 CA ALA A 19 -2.665 -4.747 -4.618 1.00 0.00 C ATOM 336 C ALA A 19 -1.709 -3.762 -5.279 1.00 0.00 C ATOM 337 O ALA A 19 -1.662 -2.587 -4.918 1.00 0.00 O ATOM 338 CB ALA A 19 -1.976 -5.518 -3.507 1.00 0.00 C ATOM 0 H ALA A 19 -2.911 -6.652 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.485 -4.169 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.580 -4.819 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.694 -6.183 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.159 -6.106 -3.925 1.00 0.00 H new ATOM 344 N ALA A 20 -0.959 -4.253 -6.259 1.00 0.00 N ATOM 345 CA ALA A 20 -0.009 -3.420 -6.991 1.00 0.00 C ATOM 346 C ALA A 20 -0.721 -2.610 -8.069 1.00 0.00 C ATOM 347 O ALA A 20 -0.241 -1.558 -8.490 1.00 0.00 O ATOM 348 CB ALA A 20 1.089 -4.279 -7.605 1.00 0.00 C ATOM 0 H ALA A 20 -0.990 -5.225 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 20 0.449 -2.724 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.789 -3.643 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.619 -4.811 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.646 -4.999 -8.293 1.00 0.00 H new ATOM 354 N ARG A 21 -1.875 -3.107 -8.501 1.00 0.00 N ATOM 355 CA ARG A 21 -2.669 -2.443 -9.514 1.00 0.00 C ATOM 356 C ARG A 21 -3.396 -1.246 -8.919 1.00 0.00 C ATOM 357 O ARG A 21 -3.451 -0.172 -9.518 1.00 0.00 O ATOM 358 CB ARG A 21 -3.680 -3.420 -10.096 1.00 0.00 C ATOM 359 CG ARG A 21 -4.545 -2.797 -11.162 1.00 0.00 C ATOM 360 CD ARG A 21 -5.345 -3.838 -11.931 1.00 0.00 C ATOM 361 NE ARG A 21 -6.261 -3.227 -12.892 1.00 0.00 N ATOM 362 CZ ARG A 21 -5.866 -2.495 -13.931 1.00 0.00 C ATOM 363 NH1 ARG A 21 -4.573 -2.295 -14.156 1.00 0.00 N ATOM 364 NH2 ARG A 21 -6.764 -1.967 -14.751 1.00 0.00 N ATOM 0 H ARG A 21 -2.280 -3.978 -8.157 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.006 -2.092 -10.305 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.152 -4.275 -10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.315 -3.800 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.228 -2.083 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.918 -2.237 -11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.661 -4.505 -12.456 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.912 -4.450 -11.229 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.262 -3.370 -12.759 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.878 -2.703 -13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.275 -1.733 -14.954 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.759 -2.122 -14.586 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.460 -1.406 -15.547 1.00 0.00 H new ATOM 378 N ALA A 22 -3.953 -1.450 -7.732 1.00 0.00 N ATOM 379 CA ALA A 22 -4.684 -0.407 -7.032 1.00 0.00 C ATOM 380 C ALA A 22 -3.726 0.612 -6.424 1.00 0.00 C ATOM 381 O ALA A 22 -3.974 1.817 -6.473 1.00 0.00 O ATOM 382 CB ALA A 22 -5.564 -1.032 -5.963 1.00 0.00 C ATOM 0 H ALA A 22 -3.910 -2.338 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.317 0.122 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.112 -0.249 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.270 -1.719 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.942 -1.577 -5.253 1.00 0.00 H new ATOM 388 N LEU A 23 -2.623 0.122 -5.865 1.00 0.00 N ATOM 389 CA LEU A 23 -1.618 0.994 -5.264 1.00 0.00 C ATOM 390 C LEU A 23 -0.568 1.404 -6.290 1.00 0.00 C ATOM 391 O LEU A 23 -0.632 1.006 -7.453 1.00 0.00 O ATOM 392 CB LEU A 23 -0.933 0.316 -4.069 1.00 0.00 C ATOM 393 CG LEU A 23 -1.704 0.388 -2.736 1.00 0.00 C ATOM 394 CD1 LEU A 23 -0.942 -0.337 -1.618 1.00 0.00 C ATOM 395 CD2 LEU A 23 -1.943 1.854 -2.346 1.00 0.00 C ATOM 0 H LEU A 23 -2.403 -0.873 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.135 1.885 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.765 -0.732 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.047 0.772 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.664 -0.110 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.509 -0.270 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.810 -1.385 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.034 0.129 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.488 1.895 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.985 2.361 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.526 2.347 -3.124 1.00 0.00 H new ATOM 407 N GLY A 24 0.399 2.202 -5.847 1.00 0.00 N ATOM 408 CA GLY A 24 1.454 2.656 -6.733 1.00 0.00 C ATOM 409 C GLY A 24 2.831 2.233 -6.256 1.00 0.00 C ATOM 410 O GLY A 24 3.530 3.006 -5.602 1.00 0.00 O ATOM 0 H GLY A 24 0.470 2.542 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.281 2.259 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.417 3.743 -6.811 1.00 0.00 H new ATOM 414 N LEU A 25 3.220 1.003 -6.578 1.00 0.00 N ATOM 415 CA LEU A 25 4.520 0.477 -6.176 1.00 0.00 C ATOM 416 C LEU A 25 4.803 -0.841 -6.897 1.00 0.00 C ATOM 417 O LEU A 25 3.892 -1.463 -7.441 1.00 0.00 O ATOM 418 CB LEU A 25 4.567 0.270 -4.652 1.00 0.00 C ATOM 419 CG LEU A 25 3.732 -0.898 -4.105 1.00 0.00 C ATOM 420 CD1 LEU A 25 3.665 -0.825 -2.581 1.00 0.00 C ATOM 421 CD2 LEU A 25 2.318 -0.883 -4.677 1.00 0.00 C ATOM 0 H LEU A 25 2.652 0.350 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 25 5.288 1.200 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.605 0.117 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.231 1.188 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 25 4.217 -1.826 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.071 -1.657 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.673 -0.882 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.203 0.116 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.752 -1.722 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.826 0.051 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.364 -0.968 -5.763 1.00 0.00 H new ATOM 433 N SER A 26 6.065 -1.264 -6.900 1.00 0.00 N ATOM 434 CA SER A 26 6.447 -2.509 -7.560 1.00 0.00 C ATOM 435 C SER A 26 6.025 -3.714 -6.725 1.00 0.00 C ATOM 436 O SER A 26 5.643 -3.573 -5.564 1.00 0.00 O ATOM 437 CB SER A 26 7.956 -2.546 -7.799 1.00 0.00 C ATOM 438 OG SER A 26 8.328 -3.691 -8.547 1.00 0.00 O ATOM 0 H SER A 26 6.836 -0.766 -6.455 1.00 0.00 H new ATOM 0 HA SER A 26 5.935 -2.553 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.265 -1.645 -8.330 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.479 -2.548 -6.842 1.00 0.00 H new ATOM 0 HG SER A 26 9.298 -3.689 -8.687 1.00 0.00 H new ATOM 444 N GLN A 27 6.096 -4.900 -7.324 1.00 0.00 N ATOM 445 CA GLN A 27 5.721 -6.127 -6.632 1.00 0.00 C ATOM 446 C GLN A 27 6.685 -6.438 -5.496 1.00 0.00 C ATOM 447 O GLN A 27 6.263 -6.717 -4.375 1.00 0.00 O ATOM 448 CB GLN A 27 5.659 -7.297 -7.612 1.00 0.00 C ATOM 449 CG GLN A 27 4.525 -7.176 -8.622 1.00 0.00 C ATOM 450 CD GLN A 27 3.146 -6.971 -8.000 1.00 0.00 C ATOM 451 OE1 GLN A 27 2.162 -6.796 -8.719 1.00 0.00 O ATOM 452 NE2 GLN A 27 3.053 -7.004 -6.671 1.00 0.00 N ATOM 0 H GLN A 27 6.409 -5.036 -8.285 1.00 0.00 H new ATOM 0 HA GLN A 27 4.731 -5.977 -6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.607 -7.365 -8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.541 -8.225 -7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.737 -6.341 -9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.503 -8.077 -9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.889 -7.151 -6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.146 -6.882 -6.220 1.00 0.00 H new ATOM 461 N LYS A 28 7.981 -6.376 -5.787 1.00 0.00 N ATOM 462 CA LYS A 28 8.998 -6.639 -4.774 1.00 0.00 C ATOM 463 C LYS A 28 8.742 -5.761 -3.571 1.00 0.00 C ATOM 464 O LYS A 28 8.789 -6.216 -2.429 1.00 0.00 O ATOM 465 CB LYS A 28 10.397 -6.349 -5.317 1.00 0.00 C ATOM 466 CG LYS A 28 11.514 -7.075 -4.581 1.00 0.00 C ATOM 467 CD LYS A 28 11.697 -6.558 -3.163 1.00 0.00 C ATOM 468 CE LYS A 28 12.820 -7.289 -2.444 1.00 0.00 C ATOM 469 NZ LYS A 28 14.124 -7.127 -3.143 1.00 0.00 N ATOM 0 H LYS A 28 8.350 -6.147 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 28 8.944 -7.691 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.431 -6.627 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.580 -5.276 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.294 -8.142 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.447 -6.957 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.915 -5.490 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.767 -6.680 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.905 -6.912 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.576 -8.349 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.860 -6.877 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.379 -8.019 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.045 -6.372 -3.854 1.00 0.00 H new ATOM 483 N LEU A 29 8.466 -4.492 -3.838 1.00 0.00 N ATOM 484 CA LEU A 29 8.198 -3.557 -2.772 1.00 0.00 C ATOM 485 C LEU A 29 6.995 -4.014 -1.968 1.00 0.00 C ATOM 486 O LEU A 29 7.009 -3.984 -0.737 1.00 0.00 O ATOM 487 CB LEU A 29 7.976 -2.148 -3.313 1.00 0.00 C ATOM 488 CG LEU A 29 9.252 -1.404 -3.708 1.00 0.00 C ATOM 489 CD1 LEU A 29 9.190 -0.997 -5.171 1.00 0.00 C ATOM 490 CD2 LEU A 29 9.445 -0.174 -2.826 1.00 0.00 C ATOM 0 H LEU A 29 8.424 -4.096 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 29 9.070 -3.527 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.323 -2.207 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.450 -1.563 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 29 10.102 -2.071 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.104 -0.468 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.089 -1.887 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.332 -0.344 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.358 0.345 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.593 0.496 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.523 -0.482 -1.783 1.00 0.00 H new ATOM 502 N ILE A 30 5.964 -4.462 -2.673 1.00 0.00 N ATOM 503 CA ILE A 30 4.769 -4.954 -2.037 1.00 0.00 C ATOM 504 C ILE A 30 5.108 -6.090 -1.105 1.00 0.00 C ATOM 505 O ILE A 30 4.474 -6.273 -0.071 1.00 0.00 O ATOM 506 CB ILE A 30 3.771 -5.435 -3.099 1.00 0.00 C ATOM 507 CG1 ILE A 30 3.137 -4.231 -3.813 1.00 0.00 C ATOM 508 CG2 ILE A 30 2.732 -6.368 -2.499 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.829 -4.542 -4.483 1.00 0.00 C ATOM 0 H ILE A 30 5.941 -4.491 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 30 4.318 -4.145 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 30 4.308 -6.017 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.982 -3.431 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.836 -3.854 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.040 -6.691 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.229 -7.239 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.181 -5.845 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.444 -3.643 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.980 -5.319 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.113 -4.890 -3.739 1.00 0.00 H new ATOM 521 N GLU A 31 6.130 -6.832 -1.472 1.00 0.00 N ATOM 522 CA GLU A 31 6.583 -7.936 -0.666 1.00 0.00 C ATOM 523 C GLU A 31 7.168 -7.404 0.624 1.00 0.00 C ATOM 524 O GLU A 31 6.884 -7.898 1.707 1.00 0.00 O ATOM 525 CB GLU A 31 7.623 -8.724 -1.421 1.00 0.00 C ATOM 526 CG GLU A 31 7.174 -9.145 -2.798 1.00 0.00 C ATOM 527 CD GLU A 31 5.749 -9.664 -2.825 1.00 0.00 C ATOM 528 OE1 GLU A 31 5.467 -10.661 -2.128 1.00 0.00 O ATOM 529 OE2 GLU A 31 4.915 -9.072 -3.542 1.00 0.00 O ATOM 0 H GLU A 31 6.663 -6.687 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 31 5.743 -8.592 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.529 -8.124 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.884 -9.612 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.258 -8.296 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.844 -9.920 -3.171 1.00 0.00 H new ATOM 536 N GLU A 32 7.976 -6.368 0.478 1.00 0.00 N ATOM 537 CA GLU A 32 8.621 -5.717 1.609 1.00 0.00 C ATOM 538 C GLU A 32 7.587 -5.302 2.646 1.00 0.00 C ATOM 539 O GLU A 32 7.780 -5.483 3.843 1.00 0.00 O ATOM 540 CB GLU A 32 9.396 -4.476 1.146 1.00 0.00 C ATOM 541 CG GLU A 32 10.376 -4.732 0.010 1.00 0.00 C ATOM 542 CD GLU A 32 11.344 -3.584 -0.191 1.00 0.00 C ATOM 543 OE1 GLU A 32 10.881 -2.458 -0.468 1.00 0.00 O ATOM 544 OE2 GLU A 32 12.567 -3.810 -0.071 1.00 0.00 O ATOM 0 H GLU A 32 8.204 -5.954 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 32 9.315 -6.429 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.683 -3.715 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.943 -4.067 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.937 -5.644 0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.821 -4.901 -0.913 1.00 0.00 H new ATOM 551 N VAL A 33 6.495 -4.727 2.167 1.00 0.00 N ATOM 552 CA VAL A 33 5.426 -4.253 3.034 1.00 0.00 C ATOM 553 C VAL A 33 4.523 -5.391 3.509 1.00 0.00 C ATOM 554 O VAL A 33 4.063 -5.399 4.651 1.00 0.00 O ATOM 555 CB VAL A 33 4.565 -3.216 2.294 1.00 0.00 C ATOM 556 CG1 VAL A 33 3.656 -2.477 3.263 1.00 0.00 C ATOM 557 CG2 VAL A 33 5.438 -2.254 1.505 1.00 0.00 C ATOM 0 H VAL A 33 6.325 -4.576 1.173 1.00 0.00 H new ATOM 0 HA VAL A 33 5.900 -3.802 3.906 1.00 0.00 H new ATOM 0 HB VAL A 33 3.929 -3.743 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.057 -1.749 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.997 -3.190 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.261 -1.962 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.807 -1.529 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.110 -1.731 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.023 -2.811 0.773 1.00 0.00 H new ATOM 567 N LEU A 34 4.254 -6.329 2.614 1.00 0.00 N ATOM 568 CA LEU A 34 3.388 -7.459 2.900 1.00 0.00 C ATOM 569 C LEU A 34 4.043 -8.498 3.820 1.00 0.00 C ATOM 570 O LEU A 34 3.525 -8.787 4.899 1.00 0.00 O ATOM 571 CB LEU A 34 2.967 -8.090 1.572 1.00 0.00 C ATOM 572 CG LEU A 34 2.668 -9.574 1.612 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.319 -9.819 2.259 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.738 -10.167 0.213 1.00 0.00 C ATOM 0 H LEU A 34 4.632 -6.327 1.667 1.00 0.00 H new ATOM 0 HA LEU A 34 2.516 -7.096 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.080 -7.570 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.758 -7.918 0.843 1.00 0.00 H new ATOM 0 HG LEU A 34 3.423 -10.074 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.115 -10.890 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.328 -9.429 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.543 -9.314 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.521 -11.234 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.006 -9.675 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.737 -10.017 -0.196 1.00 0.00 H new ATOM 586 N LYS A 35 5.163 -9.073 3.386 1.00 0.00 N ATOM 587 CA LYS A 35 5.852 -10.095 4.174 1.00 0.00 C ATOM 588 C LYS A 35 6.383 -9.532 5.492 1.00 0.00 C ATOM 589 O LYS A 35 6.295 -10.188 6.530 1.00 0.00 O ATOM 590 CB LYS A 35 6.993 -10.717 3.368 1.00 0.00 C ATOM 591 CG LYS A 35 8.189 -9.798 3.205 1.00 0.00 C ATOM 592 CD LYS A 35 9.154 -10.312 2.151 1.00 0.00 C ATOM 593 CE LYS A 35 10.234 -9.287 1.846 1.00 0.00 C ATOM 594 NZ LYS A 35 11.113 -9.043 3.021 1.00 0.00 N ATOM 0 H LYS A 35 5.612 -8.851 2.497 1.00 0.00 H new ATOM 0 HA LYS A 35 5.122 -10.869 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.315 -11.636 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.621 -10.995 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.846 -8.801 2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.708 -9.704 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.615 -11.237 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.607 -10.550 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.837 -9.634 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.769 -8.350 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.905 -8.431 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.566 -8.578 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.483 -9.949 3.372 1.00 0.00 H new ATOM 608 N ARG A 36 6.936 -8.323 5.451 1.00 0.00 N ATOM 609 CA ARG A 36 7.476 -7.700 6.656 1.00 0.00 C ATOM 610 C ARG A 36 6.377 -7.047 7.486 1.00 0.00 C ATOM 611 O ARG A 36 6.608 -6.642 8.625 1.00 0.00 O ATOM 612 CB ARG A 36 8.547 -6.680 6.300 1.00 0.00 C ATOM 613 CG ARG A 36 9.805 -7.332 5.778 1.00 0.00 C ATOM 614 CD ARG A 36 10.498 -6.475 4.735 1.00 0.00 C ATOM 615 NE ARG A 36 11.866 -6.919 4.480 1.00 0.00 N ATOM 616 CZ ARG A 36 12.687 -6.323 3.621 1.00 0.00 C ATOM 617 NH1 ARG A 36 12.281 -5.262 2.937 1.00 0.00 N ATOM 618 NH2 ARG A 36 13.916 -6.789 3.445 1.00 0.00 N ATOM 0 H ARG A 36 7.022 -7.759 4.605 1.00 0.00 H new ATOM 0 HA ARG A 36 7.929 -8.487 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.157 -5.994 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.787 -6.085 7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.488 -7.518 6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.558 -8.301 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.929 -6.504 3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.510 -5.437 5.069 1.00 0.00 H new ATOM 0 HE ARG A 36 12.211 -7.732 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.336 -4.901 3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.913 -4.807 2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.232 -7.605 3.969 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.545 -6.331 2.786 1.00 0.00 H new ATOM 632 N GLY A 37 5.181 -6.950 6.909 1.00 0.00 N ATOM 633 CA GLY A 37 4.065 -6.347 7.612 1.00 0.00 C ATOM 634 C GLY A 37 4.409 -4.983 8.171 1.00 0.00 C ATOM 635 O GLY A 37 4.400 -4.783 9.386 1.00 0.00 O ATOM 0 H GLY A 37 4.967 -7.279 5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.217 -6.256 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.753 -7.003 8.425 1.00 0.00 H new ATOM 639 N LEU A 38 4.715 -4.041 7.285 1.00 0.00 N ATOM 640 CA LEU A 38 5.064 -2.690 7.703 1.00 0.00 C ATOM 641 C LEU A 38 3.798 -1.825 7.762 1.00 0.00 C ATOM 642 O LEU A 38 2.815 -2.139 7.091 1.00 0.00 O ATOM 643 CB LEU A 38 6.077 -2.078 6.720 1.00 0.00 C ATOM 644 CG LEU A 38 7.311 -2.944 6.391 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.103 -2.307 5.262 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.213 -3.163 7.603 1.00 0.00 C ATOM 0 H LEU A 38 4.728 -4.189 6.276 1.00 0.00 H new ATOM 0 HA LEU A 38 5.517 -2.728 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.558 -1.852 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.423 -1.129 7.130 1.00 0.00 H new ATOM 0 HG LEU A 38 6.945 -3.923 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.973 -2.923 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.473 -2.227 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.432 -1.313 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.066 -3.778 7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.568 -2.200 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.650 -3.667 8.389 1.00 0.00 H new ATOM 658 N PRO A 39 3.782 -0.718 8.544 1.00 0.00 N ATOM 659 CA PRO A 39 2.597 0.145 8.621 1.00 0.00 C ATOM 660 C PRO A 39 2.322 0.832 7.289 1.00 0.00 C ATOM 661 O PRO A 39 2.928 1.855 6.976 1.00 0.00 O ATOM 662 CB PRO A 39 2.951 1.194 9.687 1.00 0.00 C ATOM 663 CG PRO A 39 4.168 0.678 10.376 1.00 0.00 C ATOM 664 CD PRO A 39 4.882 -0.206 9.386 1.00 0.00 C ATOM 0 HA PRO A 39 1.701 -0.425 8.865 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.142 2.166 9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.130 1.328 10.391 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.810 1.499 10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.898 0.118 11.271 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.612 0.352 8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.421 -1.014 9.881 1.00 0.00 H new ATOM 672 N VAL A 40 1.416 0.264 6.502 1.00 0.00 N ATOM 673 CA VAL A 40 1.089 0.836 5.201 1.00 0.00 C ATOM 674 C VAL A 40 -0.328 1.432 5.185 1.00 0.00 C ATOM 675 O VAL A 40 -1.271 0.828 5.712 1.00 0.00 O ATOM 676 CB VAL A 40 1.222 -0.212 4.075 1.00 0.00 C ATOM 677 CG1 VAL A 40 0.228 -1.357 4.271 1.00 0.00 C ATOM 678 CG2 VAL A 40 1.025 0.437 2.715 1.00 0.00 C ATOM 0 H VAL A 40 0.899 -0.583 6.738 1.00 0.00 H new ATOM 0 HA VAL A 40 1.806 1.637 5.022 1.00 0.00 H new ATOM 0 HB VAL A 40 2.229 -0.627 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.343 -2.081 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.419 -1.845 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.788 -0.962 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.122 -0.317 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.032 0.884 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.779 1.210 2.568 1.00 0.00 H new ATOM 688 N TYR A 41 -0.479 2.619 4.577 1.00 0.00 N ATOM 689 CA TYR A 41 -1.776 3.280 4.497 1.00 0.00 C ATOM 690 C TYR A 41 -2.141 3.521 3.039 1.00 0.00 C ATOM 691 O TYR A 41 -1.263 3.645 2.187 1.00 0.00 O ATOM 692 CB TYR A 41 -1.760 4.630 5.236 1.00 0.00 C ATOM 693 CG TYR A 41 -1.478 4.566 6.729 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.518 3.704 7.246 1.00 0.00 C ATOM 695 CD2 TYR A 41 -2.163 5.388 7.624 1.00 0.00 C ATOM 696 CE1 TYR A 41 -0.252 3.656 8.600 1.00 0.00 C ATOM 697 CE2 TYR A 41 -1.898 5.346 8.975 1.00 0.00 C ATOM 698 CZ TYR A 41 -0.944 4.479 9.460 1.00 0.00 C ATOM 699 OH TYR A 41 -0.679 4.437 10.809 1.00 0.00 O ATOM 0 H TYR A 41 0.284 3.134 4.137 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.513 2.630 4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.009 5.268 4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.725 5.115 5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.031 3.059 6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.914 6.069 7.251 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.495 2.976 8.983 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.437 5.992 9.653 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.253 5.081 11.275 1.00 0.00 H new ATOM 709 N VAL A 42 -3.434 3.607 2.755 1.00 0.00 N ATOM 710 CA VAL A 42 -3.891 3.858 1.394 1.00 0.00 C ATOM 711 C VAL A 42 -5.076 4.829 1.396 1.00 0.00 C ATOM 712 O VAL A 42 -6.156 4.519 1.896 1.00 0.00 O ATOM 713 CB VAL A 42 -4.268 2.544 0.646 1.00 0.00 C ATOM 714 CG1 VAL A 42 -3.106 1.554 0.637 1.00 0.00 C ATOM 715 CG2 VAL A 42 -5.500 1.892 1.262 1.00 0.00 C ATOM 0 H VAL A 42 -4.180 3.508 3.443 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.059 4.310 0.854 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.496 2.817 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.403 0.649 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.249 2.003 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.835 1.302 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.738 0.978 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.301 1.652 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.344 2.580 1.202 1.00 0.00 H new ATOM 725 N GLU A 43 -4.851 6.019 0.843 1.00 0.00 N ATOM 726 CA GLU A 43 -5.888 7.060 0.781 1.00 0.00 C ATOM 727 C GLU A 43 -6.386 7.259 -0.653 1.00 0.00 C ATOM 728 O GLU A 43 -5.786 8.008 -1.424 1.00 0.00 O ATOM 729 CB GLU A 43 -5.324 8.372 1.317 1.00 0.00 C ATOM 730 CG GLU A 43 -6.293 9.540 1.239 1.00 0.00 C ATOM 731 CD GLU A 43 -7.557 9.306 2.043 1.00 0.00 C ATOM 732 OE1 GLU A 43 -7.451 9.114 3.273 1.00 0.00 O ATOM 733 OE2 GLU A 43 -8.653 9.317 1.444 1.00 0.00 O ATOM 0 H GLU A 43 -3.959 6.292 0.429 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.732 6.742 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.026 8.230 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.423 8.623 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.799 10.442 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.558 9.718 0.197 1.00 0.00 H new ATOM 740 N THR A 44 -7.462 6.558 -1.020 1.00 0.00 N ATOM 741 CA THR A 44 -8.000 6.637 -2.378 1.00 0.00 C ATOM 742 C THR A 44 -8.605 8.004 -2.675 1.00 0.00 C ATOM 743 O THR A 44 -9.026 8.724 -1.768 1.00 0.00 O ATOM 744 CB THR A 44 -9.040 5.538 -2.605 1.00 0.00 C ATOM 745 OG1 THR A 44 -8.909 4.515 -1.634 1.00 0.00 O ATOM 746 CG2 THR A 44 -8.923 4.881 -3.968 1.00 0.00 C ATOM 0 H THR A 44 -7.975 5.933 -0.398 1.00 0.00 H new ATOM 0 HA THR A 44 -7.167 6.491 -3.066 1.00 0.00 H new ATOM 0 HB THR A 44 -10.007 6.035 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.584 3.823 -1.795 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.688 4.111 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.060 5.631 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.937 4.428 -4.070 1.00 0.00 H new ATOM 754 N ASN A 45 -8.639 8.352 -3.959 1.00 0.00 N ATOM 755 CA ASN A 45 -9.185 9.628 -4.404 1.00 0.00 C ATOM 756 C ASN A 45 -10.634 9.473 -4.858 1.00 0.00 C ATOM 757 O ASN A 45 -11.557 9.926 -4.180 1.00 0.00 O ATOM 758 CB ASN A 45 -8.334 10.190 -5.548 1.00 0.00 C ATOM 759 CG ASN A 45 -8.905 11.469 -6.127 1.00 0.00 C ATOM 760 OD1 ASN A 45 -9.124 12.446 -5.410 1.00 0.00 O ATOM 761 ND2 ASN A 45 -9.142 11.472 -7.435 1.00 0.00 N ATOM 0 H ASN A 45 -8.291 7.761 -4.714 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.163 10.322 -3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.324 10.379 -5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.254 9.442 -6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.520 12.307 -7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.945 10.640 -7.991 1.00 0.00 H new ATOM 768 N LYS A 46 -10.828 8.834 -6.009 1.00 0.00 N ATOM 769 CA LYS A 46 -12.167 8.626 -6.551 1.00 0.00 C ATOM 770 C LYS A 46 -12.139 7.645 -7.717 1.00 0.00 C ATOM 771 O LYS A 46 -12.614 6.514 -7.606 1.00 0.00 O ATOM 772 CB LYS A 46 -12.760 9.956 -7.020 1.00 0.00 C ATOM 773 CG LYS A 46 -14.197 9.848 -7.509 1.00 0.00 C ATOM 774 CD LYS A 46 -14.729 11.187 -7.998 1.00 0.00 C ATOM 775 CE LYS A 46 -14.791 12.214 -6.877 1.00 0.00 C ATOM 776 NZ LYS A 46 -15.335 13.518 -7.348 1.00 0.00 N ATOM 0 H LYS A 46 -10.076 8.452 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.788 8.209 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.718 10.672 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.141 10.356 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.252 9.118 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.829 9.479 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.091 11.561 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.724 11.050 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.414 11.832 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.792 12.364 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.361 14.190 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.727 13.896 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.298 13.380 -7.716 1.00 0.00 H new ATOM 790 N ASP A 47 -11.588 8.097 -8.838 1.00 0.00 N ATOM 791 CA ASP A 47 -11.500 7.279 -10.041 1.00 0.00 C ATOM 792 C ASP A 47 -10.715 5.994 -9.789 1.00 0.00 C ATOM 793 O ASP A 47 -10.784 5.051 -10.577 1.00 0.00 O ATOM 794 CB ASP A 47 -10.844 8.079 -11.167 1.00 0.00 C ATOM 795 CG ASP A 47 -11.611 9.343 -11.503 1.00 0.00 C ATOM 796 OD1 ASP A 47 -11.762 10.201 -10.608 1.00 0.00 O ATOM 797 OD2 ASP A 47 -12.059 9.475 -12.661 1.00 0.00 O ATOM 0 H ASP A 47 -11.193 9.032 -8.938 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.513 7.000 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.827 8.341 -10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.771 7.455 -12.057 1.00 0.00 H new ATOM 802 N GLY A 48 -9.972 5.961 -8.687 1.00 0.00 N ATOM 803 CA GLY A 48 -9.191 4.784 -8.357 1.00 0.00 C ATOM 804 C GLY A 48 -7.782 5.126 -7.914 1.00 0.00 C ATOM 805 O GLY A 48 -7.113 4.316 -7.273 1.00 0.00 O ATOM 0 H GLY A 48 -9.897 6.727 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.693 4.230 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.146 4.127 -9.226 1.00 0.00 H new ATOM 809 N ASN A 49 -7.334 6.331 -8.252 1.00 0.00 N ATOM 810 CA ASN A 49 -5.998 6.782 -7.881 1.00 0.00 C ATOM 811 C ASN A 49 -5.876 6.872 -6.367 1.00 0.00 C ATOM 812 O ASN A 49 -6.693 7.521 -5.716 1.00 0.00 O ATOM 813 CB ASN A 49 -5.719 8.157 -8.492 1.00 0.00 C ATOM 814 CG ASN A 49 -5.952 8.184 -9.996 1.00 0.00 C ATOM 815 OD1 ASN A 49 -5.283 7.472 -10.745 1.00 0.00 O ATOM 816 ND2 ASN A 49 -6.905 9.000 -10.454 1.00 0.00 N ATOM 0 H ASN A 49 -7.877 7.013 -8.782 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.272 6.062 -8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.359 8.900 -8.015 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.688 8.442 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.098 9.047 -11.454 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.440 9.576 -9.803 1.00 0.00 H new ATOM 823 N ILE A 50 -4.862 6.227 -5.803 1.00 0.00 N ATOM 824 CA ILE A 50 -4.670 6.258 -4.381 1.00 0.00 C ATOM 825 C ILE A 50 -3.199 6.382 -4.004 1.00 0.00 C ATOM 826 O ILE A 50 -2.310 6.019 -4.775 1.00 0.00 O ATOM 827 CB ILE A 50 -5.268 5.013 -3.702 1.00 0.00 C ATOM 828 CG1 ILE A 50 -5.091 5.118 -2.212 1.00 0.00 C ATOM 829 CG2 ILE A 50 -4.603 3.745 -4.186 1.00 0.00 C ATOM 830 CD1 ILE A 50 -5.965 4.173 -1.422 1.00 0.00 C ATOM 0 H ILE A 50 -4.169 5.682 -6.316 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.194 7.144 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.326 4.968 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.047 4.923 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.306 6.141 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.050 2.886 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.741 3.650 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.538 3.783 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.779 4.310 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.013 4.381 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.735 3.145 -1.701 1.00 0.00 H new ATOM 842 N LYS A 51 -2.960 6.884 -2.797 1.00 0.00 N ATOM 843 CA LYS A 51 -1.616 7.049 -2.280 1.00 0.00 C ATOM 844 C LYS A 51 -1.313 5.930 -1.292 1.00 0.00 C ATOM 845 O LYS A 51 -2.227 5.262 -0.810 1.00 0.00 O ATOM 846 CB LYS A 51 -1.485 8.410 -1.591 1.00 0.00 C ATOM 847 CG LYS A 51 -1.737 9.588 -2.520 1.00 0.00 C ATOM 848 CD LYS A 51 -1.866 10.893 -1.744 1.00 0.00 C ATOM 849 CE LYS A 51 -2.065 12.080 -2.683 1.00 0.00 C ATOM 850 NZ LYS A 51 -2.201 13.361 -1.935 1.00 0.00 N ATOM 0 H LYS A 51 -3.693 7.186 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.903 7.004 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.188 8.456 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.485 8.499 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.920 9.669 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.647 9.413 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.708 10.827 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.972 11.050 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.220 12.147 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.955 11.918 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.335 14.143 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.023 13.306 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.341 13.529 -1.375 1.00 0.00 H new ATOM 864 N VAL A 52 -0.040 5.721 -0.989 1.00 0.00 N ATOM 865 CA VAL A 52 0.342 4.672 -0.055 1.00 0.00 C ATOM 866 C VAL A 52 1.156 5.238 1.103 1.00 0.00 C ATOM 867 O VAL A 52 2.375 5.067 1.147 1.00 0.00 O ATOM 868 CB VAL A 52 1.177 3.569 -0.737 1.00 0.00 C ATOM 869 CG1 VAL A 52 0.896 2.219 -0.099 1.00 0.00 C ATOM 870 CG2 VAL A 52 0.925 3.532 -2.237 1.00 0.00 C ATOM 0 H VAL A 52 0.739 6.258 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.588 4.241 0.316 1.00 0.00 H new ATOM 0 HB VAL A 52 2.232 3.803 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.493 1.452 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.155 2.256 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.162 1.979 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.528 2.744 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.130 3.333 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.196 4.492 -2.675 1.00 0.00 H new ATOM 880 N TYR A 53 0.489 5.907 2.044 1.00 0.00 N ATOM 881 CA TYR A 53 1.191 6.475 3.195 1.00 0.00 C ATOM 882 C TYR A 53 1.782 5.364 4.060 1.00 0.00 C ATOM 883 O TYR A 53 1.172 4.930 5.036 1.00 0.00 O ATOM 884 CB TYR A 53 0.263 7.357 4.037 1.00 0.00 C ATOM 885 CG TYR A 53 -0.122 8.661 3.366 1.00 0.00 C ATOM 886 CD1 TYR A 53 0.642 9.813 3.541 1.00 0.00 C ATOM 887 CD2 TYR A 53 -1.257 8.745 2.568 1.00 0.00 C ATOM 888 CE1 TYR A 53 0.286 11.004 2.938 1.00 0.00 C ATOM 889 CE2 TYR A 53 -1.616 9.934 1.962 1.00 0.00 C ATOM 890 CZ TYR A 53 -0.842 11.059 2.150 1.00 0.00 C ATOM 891 OH TYR A 53 -1.199 12.243 1.548 1.00 0.00 O ATOM 0 H TYR A 53 -0.518 6.067 2.034 1.00 0.00 H new ATOM 0 HA TYR A 53 1.999 7.100 2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.643 6.797 4.268 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.751 7.579 4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.527 9.774 4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.868 7.867 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.890 11.888 3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.500 9.982 1.343 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.018 12.111 1.026 1.00 0.00 H new ATOM 901 N ILE A 54 2.973 4.906 3.688 1.00 0.00 N ATOM 902 CA ILE A 54 3.650 3.840 4.421 1.00 0.00 C ATOM 903 C ILE A 54 4.569 4.425 5.494 1.00 0.00 C ATOM 904 O ILE A 54 4.940 5.595 5.422 1.00 0.00 O ATOM 905 CB ILE A 54 4.464 2.944 3.463 1.00 0.00 C ATOM 906 CG1 ILE A 54 4.894 1.651 4.163 1.00 0.00 C ATOM 907 CG2 ILE A 54 5.678 3.698 2.937 1.00 0.00 C ATOM 908 CD1 ILE A 54 5.611 0.666 3.238 1.00 0.00 C ATOM 0 H ILE A 54 3.491 5.257 2.882 1.00 0.00 H new ATOM 0 HA ILE A 54 2.887 3.229 4.904 1.00 0.00 H new ATOM 0 HB ILE A 54 3.829 2.677 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.552 1.900 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.014 1.166 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.242 3.054 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.349 4.587 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.313 3.994 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.887 -0.226 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.948 0.388 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.510 1.133 2.835 1.00 0.00 H new ATOM 920 N THR A 55 4.925 3.618 6.495 1.00 0.00 N ATOM 921 CA THR A 55 5.782 4.090 7.578 1.00 0.00 C ATOM 922 C THR A 55 7.170 3.445 7.529 1.00 0.00 C ATOM 923 O THR A 55 7.338 2.290 7.921 1.00 0.00 O ATOM 924 CB THR A 55 5.133 3.792 8.930 1.00 0.00 C ATOM 925 OG1 THR A 55 3.847 4.381 9.009 1.00 0.00 O ATOM 926 CG2 THR A 55 5.940 4.298 10.108 1.00 0.00 C ATOM 0 H THR A 55 4.635 2.643 6.576 1.00 0.00 H new ATOM 0 HA THR A 55 5.903 5.166 7.452 1.00 0.00 H new ATOM 0 HB THR A 55 5.076 2.705 8.989 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.514 4.317 9.928 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.422 4.053 11.036 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.923 3.826 10.105 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.056 5.379 10.032 1.00 0.00 H new ATOM 934 N GLN A 56 8.166 4.200 7.067 1.00 0.00 N ATOM 935 CA GLN A 56 9.534 3.706 6.995 1.00 0.00 C ATOM 936 C GLN A 56 10.513 4.862 7.161 1.00 0.00 C ATOM 937 O GLN A 56 10.254 5.973 6.699 1.00 0.00 O ATOM 938 CB GLN A 56 9.785 2.985 5.670 1.00 0.00 C ATOM 939 CG GLN A 56 9.509 3.839 4.446 1.00 0.00 C ATOM 940 CD GLN A 56 9.818 3.112 3.154 1.00 0.00 C ATOM 941 OE1 GLN A 56 10.973 2.799 2.864 1.00 0.00 O ATOM 942 NE2 GLN A 56 8.782 2.825 2.377 1.00 0.00 N ATOM 0 H GLN A 56 8.047 5.158 6.737 1.00 0.00 H new ATOM 0 HA GLN A 56 9.686 2.991 7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.821 2.649 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.159 2.093 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.462 4.144 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.106 4.749 4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.842 3.104 2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.926 2.325 1.499 1.00 0.00 H new ATOM 951 N ASP A 57 11.628 4.599 7.836 1.00 0.00 N ATOM 952 CA ASP A 57 12.639 5.623 8.078 1.00 0.00 C ATOM 953 C ASP A 57 12.093 6.709 9.003 1.00 0.00 C ATOM 954 O ASP A 57 12.751 7.720 9.247 1.00 0.00 O ATOM 955 CB ASP A 57 13.111 6.243 6.759 1.00 0.00 C ATOM 956 CG ASP A 57 13.734 5.222 5.827 1.00 0.00 C ATOM 957 OD1 ASP A 57 13.804 4.034 6.207 1.00 0.00 O ATOM 958 OD2 ASP A 57 14.153 5.611 4.716 1.00 0.00 O ATOM 0 H ASP A 57 11.854 3.684 8.226 1.00 0.00 H new ATOM 0 HA ASP A 57 13.492 5.147 8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.265 6.716 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.837 7.028 6.970 1.00 0.00 H new ATOM 963 N GLY A 58 10.889 6.482 9.525 1.00 0.00 N ATOM 964 CA GLY A 58 10.274 7.439 10.430 1.00 0.00 C ATOM 965 C GLY A 58 9.409 8.472 9.726 1.00 0.00 C ATOM 966 O GLY A 58 9.150 9.542 10.277 1.00 0.00 O ATOM 0 H GLY A 58 10.328 5.651 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.664 6.901 11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.056 7.952 10.989 1.00 0.00 H new ATOM 970 N ILE A 59 8.954 8.159 8.514 1.00 0.00 N ATOM 971 CA ILE A 59 8.111 9.082 7.758 1.00 0.00 C ATOM 972 C ILE A 59 7.001 8.340 7.012 1.00 0.00 C ATOM 973 O ILE A 59 7.153 7.172 6.654 1.00 0.00 O ATOM 974 CB ILE A 59 8.938 9.901 6.739 1.00 0.00 C ATOM 975 CG1 ILE A 59 9.943 10.804 7.464 1.00 0.00 C ATOM 976 CG2 ILE A 59 8.028 10.730 5.833 1.00 0.00 C ATOM 977 CD1 ILE A 59 9.298 11.855 8.344 1.00 0.00 C ATOM 0 H ILE A 59 9.153 7.279 8.037 1.00 0.00 H new ATOM 0 HA ILE A 59 7.665 9.761 8.485 1.00 0.00 H new ATOM 0 HB ILE A 59 9.490 9.201 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.599 10.184 8.076 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.572 11.299 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.636 11.296 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.358 10.067 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.441 11.419 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.073 12.454 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.665 12.500 7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.692 11.368 9.108 1.00 0.00 H new ATOM 989 N THR A 60 5.892 9.035 6.771 1.00 0.00 N ATOM 990 CA THR A 60 4.761 8.461 6.056 1.00 0.00 C ATOM 991 C THR A 60 4.747 8.951 4.603 1.00 0.00 C ATOM 992 O THR A 60 4.100 9.948 4.282 1.00 0.00 O ATOM 993 CB THR A 60 3.457 8.845 6.755 1.00 0.00 C ATOM 994 OG1 THR A 60 2.337 8.391 6.018 1.00 0.00 O ATOM 995 CG2 THR A 60 3.306 10.336 6.955 1.00 0.00 C ATOM 0 H THR A 60 5.755 10.002 7.064 1.00 0.00 H new ATOM 0 HA THR A 60 4.857 7.375 6.055 1.00 0.00 H new ATOM 0 HB THR A 60 3.501 8.366 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.416 7.426 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.360 10.542 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.129 10.706 7.567 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.320 10.836 5.987 1.00 0.00 H new ATOM 1003 N GLN A 61 5.476 8.260 3.727 1.00 0.00 N ATOM 1004 CA GLN A 61 5.546 8.654 2.324 1.00 0.00 C ATOM 1005 C GLN A 61 4.514 7.904 1.483 1.00 0.00 C ATOM 1006 O GLN A 61 4.374 6.687 1.599 1.00 0.00 O ATOM 1007 CB GLN A 61 6.953 8.407 1.776 1.00 0.00 C ATOM 1008 CG GLN A 61 7.378 6.948 1.813 1.00 0.00 C ATOM 1009 CD GLN A 61 8.771 6.731 1.257 1.00 0.00 C ATOM 1010 OE1 GLN A 61 9.043 7.036 0.095 1.00 0.00 O ATOM 1011 NE2 GLN A 61 9.663 6.200 2.085 1.00 0.00 N ATOM 0 H GLN A 61 6.022 7.431 3.963 1.00 0.00 H new ATOM 0 HA GLN A 61 5.320 9.718 2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.000 8.763 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.666 8.998 2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.342 6.589 2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.666 6.352 1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.394 5.962 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.617 6.030 1.766 1.00 0.00 H new ATOM 1020 N PRO A 62 3.774 8.627 0.620 1.00 0.00 N ATOM 1021 CA PRO A 62 2.753 8.034 -0.241 1.00 0.00 C ATOM 1022 C PRO A 62 3.337 7.506 -1.547 1.00 0.00 C ATOM 1023 O PRO A 62 3.199 8.144 -2.589 1.00 0.00 O ATOM 1024 CB PRO A 62 1.835 9.221 -0.515 1.00 0.00 C ATOM 1025 CG PRO A 62 2.764 10.372 -0.593 1.00 0.00 C ATOM 1026 CD PRO A 62 3.868 10.087 0.413 1.00 0.00 C ATOM 0 HA PRO A 62 2.261 7.176 0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.279 9.091 -1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.101 9.352 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.170 10.478 -1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.251 11.304 -0.356 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.846 10.376 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.716 10.635 1.343 1.00 0.00 H new ATOM 1034 N PHE A 63 3.987 6.342 -1.471 1.00 0.00 N ATOM 1035 CA PHE A 63 4.608 5.702 -2.637 1.00 0.00 C ATOM 1036 C PHE A 63 4.082 6.257 -3.961 1.00 0.00 C ATOM 1037 O PHE A 63 3.093 5.757 -4.498 1.00 0.00 O ATOM 1038 CB PHE A 63 4.387 4.190 -2.581 1.00 0.00 C ATOM 1039 CG PHE A 63 5.467 3.463 -1.826 1.00 0.00 C ATOM 1040 CD1 PHE A 63 6.121 4.069 -0.761 1.00 0.00 C ATOM 1041 CD2 PHE A 63 5.841 2.179 -2.188 1.00 0.00 C ATOM 1042 CE1 PHE A 63 7.123 3.410 -0.081 1.00 0.00 C ATOM 1043 CE2 PHE A 63 6.839 1.517 -1.507 1.00 0.00 C ATOM 1044 CZ PHE A 63 7.483 2.131 -0.454 1.00 0.00 C ATOM 0 H PHE A 63 4.098 5.817 -0.604 1.00 0.00 H new ATOM 0 HA PHE A 63 5.674 5.924 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.424 3.987 -2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.336 3.798 -3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.841 5.068 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.344 1.691 -3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.626 3.894 0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.117 0.515 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.267 1.612 0.078 1.00 0.00 H new ATOM 1054 N PRO A 64 4.726 7.319 -4.505 1.00 0.00 N ATOM 1055 CA PRO A 64 4.316 7.952 -5.751 1.00 0.00 C ATOM 1056 C PRO A 64 5.212 7.620 -6.961 1.00 0.00 C ATOM 1057 O PRO A 64 5.515 8.512 -7.755 1.00 0.00 O ATOM 1058 CB PRO A 64 4.502 9.413 -5.379 1.00 0.00 C ATOM 1059 CG PRO A 64 5.759 9.416 -4.560 1.00 0.00 C ATOM 1060 CD PRO A 64 5.888 8.034 -3.946 1.00 0.00 C ATOM 0 HA PRO A 64 3.322 7.637 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.600 10.042 -6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.653 9.792 -4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.625 9.645 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.713 10.180 -3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.828 7.555 -4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.855 8.070 -2.857 1.00 0.00 H new ATOM 1068 N PRO A 65 5.662 6.356 -7.139 1.00 0.00 N ATOM 1069 CA PRO A 65 6.523 5.987 -8.269 1.00 0.00 C ATOM 1070 C PRO A 65 5.733 5.784 -9.558 1.00 0.00 C ATOM 1071 O PRO A 65 6.308 5.236 -10.522 1.00 0.00 O ATOM 1072 CB PRO A 65 7.132 4.670 -7.796 1.00 0.00 C ATOM 1073 CG PRO A 65 6.034 4.042 -7.028 1.00 0.00 C ATOM 1074 CD PRO A 65 5.392 5.188 -6.276 1.00 0.00 C ATOM 1075 OXT PRO A 65 4.547 6.174 -9.593 1.00 0.00 O ATOM 0 HA PRO A 65 7.254 6.758 -8.512 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.444 4.047 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.013 4.834 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.319 3.551 -7.688 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.412 3.282 -6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.323 5.029 -6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.827 5.312 -5.284 1.00 0.00 H new TER 1083 PRO A 65