USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 15 THR OG1 : rot -99:sc= 0.672 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.606 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0.00981 K(o=0.0098,f=-1.8!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.92) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 19 THR OG1 : rot 27:sc= 1.17 USER MOD Single : A 20 MET CE :methyl 174:sc= 0 (180deg=-0.0444) USER MOD Single : A 27 ASN : amide:sc= -0.0756 K(o=-0.076,f=-4.4!) USER MOD Single : A 29 HIS : no HD1:sc= 0.00178 X(o=0.0018,f=-0.073) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -0.0111 K(o=-0.011,f=-0.6) USER MOD Single : A 36 SER OG : rot -88:sc= 0.933 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 143:sc= -0.169 (180deg=-1.43) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0.344 (180deg=0.299) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 43 TYR OH : rot -140:sc= 1.2 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -1:sc= 0.328 USER MOD Single : A 57 THR OG1 : rot -140:sc= 0.0437 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -72:sc= 0.329 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.725 2.089 5.469 1.00 0.00 N ATOM 2 CA ALA A 1 18.562 3.009 5.439 1.00 0.00 C ATOM 3 C ALA A 1 17.266 2.391 6.063 1.00 0.00 C ATOM 4 O ALA A 1 16.318 2.028 5.363 1.00 0.00 O ATOM 5 CB ALA A 1 18.424 3.467 3.974 1.00 0.00 C ATOM 0 H1 ALA A 1 20.549 2.558 5.042 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.942 1.836 6.454 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.500 1.227 4.932 1.00 0.00 H new ATOM 0 HA ALA A 1 18.723 3.875 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.580 4.151 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 1 19.337 3.975 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.257 2.599 3.336 1.00 0.00 H new ATOM 12 N LYS A 2 17.211 2.312 7.404 1.00 0.00 N ATOM 13 CA LYS A 2 16.057 1.725 8.148 1.00 0.00 C ATOM 14 C LYS A 2 14.787 2.645 8.134 1.00 0.00 C ATOM 15 O LYS A 2 13.891 2.436 7.312 1.00 0.00 O ATOM 16 CB LYS A 2 16.629 1.284 9.526 1.00 0.00 C ATOM 17 CG LYS A 2 15.672 0.452 10.407 1.00 0.00 C ATOM 18 CD LYS A 2 16.378 -0.041 11.685 1.00 0.00 C ATOM 19 CE LYS A 2 15.468 -0.918 12.554 1.00 0.00 C ATOM 20 NZ LYS A 2 16.223 -1.366 13.741 1.00 0.00 N ATOM 0 H LYS A 2 17.958 2.649 8.011 1.00 0.00 H new ATOM 0 HA LYS A 2 15.637 0.841 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.535 0.703 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.922 2.176 10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.805 1.055 10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.302 -0.402 9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.268 -0.607 11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.713 0.818 12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.585 -0.357 12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.118 -1.778 11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.613 -1.962 14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.053 -1.915 13.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.536 -0.538 14.286 1.00 0.00 H new ATOM 33 N GLU A 3 14.728 3.685 8.979 1.00 0.00 N ATOM 34 CA GLU A 3 13.591 4.662 9.026 1.00 0.00 C ATOM 35 C GLU A 3 13.593 5.798 7.926 1.00 0.00 C ATOM 36 O GLU A 3 13.320 6.972 8.182 1.00 0.00 O ATOM 37 CB GLU A 3 13.497 5.179 10.496 1.00 0.00 C ATOM 38 CG GLU A 3 14.615 6.121 11.044 1.00 0.00 C ATOM 39 CD GLU A 3 15.990 5.519 11.353 1.00 0.00 C ATOM 40 OE1 GLU A 3 16.221 4.319 11.476 1.00 0.00 O ATOM 41 OE2 GLU A 3 16.944 6.476 11.485 1.00 0.00 O ATOM 0 H GLU A 3 15.462 3.887 9.658 1.00 0.00 H new ATOM 0 HA GLU A 3 12.676 4.141 8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.547 5.703 10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.453 4.307 11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 3 14.759 6.922 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.242 6.582 11.958 1.00 0.00 H new ATOM 49 N ASP A 4 13.851 5.413 6.671 1.00 0.00 N ATOM 50 CA ASP A 4 13.888 6.313 5.473 1.00 0.00 C ATOM 51 C ASP A 4 12.807 5.898 4.398 1.00 0.00 C ATOM 52 O ASP A 4 13.051 5.745 3.199 1.00 0.00 O ATOM 53 CB ASP A 4 15.302 6.069 4.918 1.00 0.00 C ATOM 54 CG ASP A 4 16.483 6.608 5.726 1.00 0.00 C ATOM 55 OD1 ASP A 4 17.203 5.910 6.431 1.00 0.00 O ATOM 56 OD2 ASP A 4 16.646 7.948 5.571 1.00 0.00 O ATOM 0 H ASP A 4 14.048 4.440 6.435 1.00 0.00 H new ATOM 0 HA ASP A 4 13.674 7.353 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 4 15.437 4.993 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.351 6.505 3.920 1.00 0.00 H new ATOM 62 N ASN A 5 11.605 5.693 4.912 1.00 0.00 N ATOM 63 CA ASN A 5 10.442 5.097 4.202 1.00 0.00 C ATOM 64 C ASN A 5 10.053 5.659 2.781 1.00 0.00 C ATOM 65 O ASN A 5 9.786 6.851 2.616 1.00 0.00 O ATOM 66 CB ASN A 5 9.218 5.197 5.161 1.00 0.00 C ATOM 67 CG ASN A 5 9.266 4.416 6.484 1.00 0.00 C ATOM 68 OD1 ASN A 5 10.219 4.467 7.254 1.00 0.00 O ATOM 69 ND2 ASN A 5 8.238 3.679 6.811 1.00 0.00 N ATOM 0 H ASN A 5 11.385 5.942 5.876 1.00 0.00 H new ATOM 0 HA ASN A 5 10.752 4.079 3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.068 6.250 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.337 4.867 4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.240 3.162 7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.433 3.621 6.187 1.00 0.00 H new ATOM 76 N ILE A 6 9.964 4.777 1.770 1.00 0.00 N ATOM 77 CA ILE A 6 9.646 5.143 0.357 1.00 0.00 C ATOM 78 C ILE A 6 8.175 4.749 0.033 1.00 0.00 C ATOM 79 O ILE A 6 7.638 3.779 0.569 1.00 0.00 O ATOM 80 CB ILE A 6 10.572 4.391 -0.689 1.00 0.00 C ATOM 81 CG1 ILE A 6 11.959 3.956 -0.168 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.713 5.200 -2.009 1.00 0.00 C ATOM 83 CD1 ILE A 6 12.867 3.156 -1.125 1.00 0.00 C ATOM 0 H ILE A 6 10.111 3.776 1.901 1.00 0.00 H new ATOM 0 HA ILE A 6 9.810 6.217 0.270 1.00 0.00 H new ATOM 0 HB ILE A 6 10.042 3.458 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.499 4.853 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.807 3.356 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.354 4.656 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.729 5.340 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.155 6.173 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.806 2.920 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.367 2.231 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.070 3.751 -2.016 1.00 0.00 H new ATOM 95 N GLU A 7 7.552 5.471 -0.897 1.00 0.00 N ATOM 96 CA GLU A 7 6.238 5.081 -1.496 1.00 0.00 C ATOM 97 C GLU A 7 6.442 4.624 -2.944 1.00 0.00 C ATOM 98 O GLU A 7 7.071 5.271 -3.787 1.00 0.00 O ATOM 99 CB GLU A 7 5.083 6.062 -1.301 1.00 0.00 C ATOM 100 CG GLU A 7 5.483 7.483 -1.691 1.00 0.00 C ATOM 101 CD GLU A 7 4.369 8.515 -1.809 1.00 0.00 C ATOM 102 OE1 GLU A 7 3.397 8.396 -2.547 1.00 0.00 O ATOM 103 OE2 GLU A 7 4.573 9.589 -1.002 1.00 0.00 O ATOM 0 H GLU A 7 7.927 6.344 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 7 5.880 4.234 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.230 5.745 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.763 6.046 -0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.202 7.845 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.002 7.436 -2.648 1.00 0.00 H new ATOM 111 N MET A 8 5.948 3.398 -3.140 1.00 0.00 N ATOM 112 CA MET A 8 6.563 2.536 -4.188 1.00 0.00 C ATOM 113 C MET A 8 5.713 1.430 -4.884 1.00 0.00 C ATOM 114 O MET A 8 6.244 0.692 -5.711 1.00 0.00 O ATOM 115 CB MET A 8 7.732 1.950 -3.305 1.00 0.00 C ATOM 116 CG MET A 8 8.737 1.052 -3.992 1.00 0.00 C ATOM 117 SD MET A 8 10.392 1.231 -3.304 1.00 0.00 S ATOM 118 CE MET A 8 11.236 0.000 -4.309 1.00 0.00 C ATOM 0 H MET A 8 5.169 2.985 -2.627 1.00 0.00 H new ATOM 0 HA MET A 8 6.804 3.093 -5.093 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.274 2.787 -2.864 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.286 1.390 -2.483 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.417 0.014 -3.899 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.761 1.284 -5.057 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.289 -0.039 -4.028 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.780 -0.977 -4.147 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.151 0.269 -5.362 1.00 0.00 H new ATOM 128 N GLN A 9 4.416 1.300 -4.597 1.00 0.00 N ATOM 129 CA GLN A 9 3.622 0.108 -4.999 1.00 0.00 C ATOM 130 C GLN A 9 2.951 0.018 -6.404 1.00 0.00 C ATOM 131 O GLN A 9 3.337 0.708 -7.348 1.00 0.00 O ATOM 132 CB GLN A 9 2.890 -0.405 -3.737 1.00 0.00 C ATOM 133 CG GLN A 9 3.358 -1.719 -3.049 1.00 0.00 C ATOM 134 CD GLN A 9 4.542 -1.551 -2.074 1.00 0.00 C ATOM 135 OE1 GLN A 9 4.389 -1.585 -0.861 1.00 0.00 O ATOM 136 NE2 GLN A 9 5.733 -1.296 -2.532 1.00 0.00 N ATOM 0 H GLN A 9 3.880 2.002 -4.086 1.00 0.00 H new ATOM 0 HA GLN A 9 4.313 -0.661 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.937 0.387 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.840 -0.533 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.516 -2.148 -2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.639 -2.436 -3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.896 -1.260 -3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.504 -1.132 -1.885 1.00 0.00 H new ATOM 145 N GLY A 10 2.041 -0.956 -6.539 1.00 0.00 N ATOM 146 CA GLY A 10 1.546 -1.413 -7.857 1.00 0.00 C ATOM 147 C GLY A 10 0.066 -1.761 -8.081 1.00 0.00 C ATOM 148 O GLY A 10 -0.794 -0.883 -8.104 1.00 0.00 O ATOM 0 H GLY A 10 1.626 -1.450 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.802 -0.637 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.124 -2.298 -8.123 1.00 0.00 H new ATOM 152 N THR A 11 -0.222 -3.049 -8.317 1.00 0.00 N ATOM 153 CA THR A 11 -1.595 -3.525 -8.642 1.00 0.00 C ATOM 154 C THR A 11 -2.213 -4.171 -7.391 1.00 0.00 C ATOM 155 O THR A 11 -1.585 -5.050 -6.784 1.00 0.00 O ATOM 156 CB THR A 11 -1.541 -4.568 -9.816 1.00 0.00 C ATOM 157 OG1 THR A 11 -0.797 -4.070 -10.924 1.00 0.00 O ATOM 158 CG2 THR A 11 -2.920 -4.910 -10.402 1.00 0.00 C ATOM 0 H THR A 11 0.476 -3.792 -8.291 1.00 0.00 H new ATOM 0 HA THR A 11 -2.208 -2.680 -8.957 1.00 0.00 H new ATOM 0 HB THR A 11 -1.086 -5.447 -9.358 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.781 -4.743 -11.636 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.803 -5.635 -11.207 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.552 -5.333 -9.621 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.384 -4.005 -10.794 1.00 0.00 H new ATOM 166 N VAL A 12 -3.450 -3.789 -7.008 1.00 0.00 N ATOM 167 CA VAL A 12 -4.168 -4.509 -5.921 1.00 0.00 C ATOM 168 C VAL A 12 -4.400 -5.993 -6.472 1.00 0.00 C ATOM 169 O VAL A 12 -5.168 -6.155 -7.423 1.00 0.00 O ATOM 170 CB VAL A 12 -5.616 -4.000 -5.595 1.00 0.00 C ATOM 171 CG1 VAL A 12 -6.247 -4.862 -4.479 1.00 0.00 C ATOM 172 CG2 VAL A 12 -5.852 -2.550 -5.175 1.00 0.00 C ATOM 0 H VAL A 12 -3.965 -3.010 -7.418 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.562 -4.385 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.067 -4.083 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.251 -4.498 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.300 -5.900 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.636 -4.797 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.915 -2.392 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.293 -2.340 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.516 -1.882 -5.968 1.00 0.00 H new ATOM 182 N LEU A 13 -3.779 -7.054 -5.959 1.00 0.00 N ATOM 183 CA LEU A 13 -4.139 -8.455 -6.385 1.00 0.00 C ATOM 184 C LEU A 13 -5.217 -9.098 -5.452 1.00 0.00 C ATOM 185 O LEU A 13 -6.071 -9.843 -5.935 1.00 0.00 O ATOM 186 CB LEU A 13 -2.882 -9.285 -6.737 1.00 0.00 C ATOM 187 CG LEU A 13 -2.060 -8.755 -7.951 1.00 0.00 C ATOM 188 CD1 LEU A 13 -0.931 -9.727 -8.286 1.00 0.00 C ATOM 189 CD2 LEU A 13 -2.866 -8.545 -9.249 1.00 0.00 C ATOM 0 H LEU A 13 -3.037 -7.000 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.668 -8.428 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.231 -9.318 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.189 -10.310 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.700 -7.780 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.364 -9.347 -9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.271 -9.829 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.352 -10.701 -8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.204 -8.175 -10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.305 -9.492 -9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.659 -7.819 -9.071 1.00 0.00 H new ATOM 201 N GLU A 14 -5.218 -8.796 -4.144 1.00 0.00 N ATOM 202 CA GLU A 14 -6.384 -9.055 -3.263 1.00 0.00 C ATOM 203 C GLU A 14 -6.764 -7.755 -2.488 1.00 0.00 C ATOM 204 O GLU A 14 -5.930 -6.955 -2.088 1.00 0.00 O ATOM 205 CB GLU A 14 -6.078 -10.234 -2.324 1.00 0.00 C ATOM 206 CG GLU A 14 -7.098 -10.566 -1.215 1.00 0.00 C ATOM 207 CD GLU A 14 -8.474 -11.072 -1.646 1.00 0.00 C ATOM 208 OE1 GLU A 14 -9.211 -10.464 -2.414 1.00 0.00 O ATOM 209 OE2 GLU A 14 -8.802 -12.253 -1.062 1.00 0.00 O ATOM 0 H GLU A 14 -4.424 -8.370 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.249 -9.336 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.952 -11.125 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.118 -10.039 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.653 -11.318 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.244 -9.669 -0.613 1.00 0.00 H new ATOM 217 N THR A 15 -8.050 -7.625 -2.217 1.00 0.00 N ATOM 218 CA THR A 15 -8.629 -6.557 -1.316 1.00 0.00 C ATOM 219 C THR A 15 -8.961 -7.394 -0.051 1.00 0.00 C ATOM 220 O THR A 15 -9.868 -8.236 -0.064 1.00 0.00 O ATOM 221 CB THR A 15 -9.891 -5.880 -1.910 1.00 0.00 C ATOM 222 OG1 THR A 15 -10.807 -6.823 -2.461 1.00 0.00 O ATOM 223 CG2 THR A 15 -9.497 -4.896 -3.004 1.00 0.00 C ATOM 0 H THR A 15 -8.758 -8.249 -2.604 1.00 0.00 H new ATOM 0 HA THR A 15 -7.958 -5.715 -1.145 1.00 0.00 H new ATOM 0 HB THR A 15 -10.382 -5.363 -1.086 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.690 -6.863 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.393 -4.428 -3.412 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.845 -4.129 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.971 -5.426 -3.798 1.00 0.00 H new ATOM 231 N LEU A 16 -8.155 -7.221 0.998 1.00 0.00 N ATOM 232 CA LEU A 16 -8.077 -8.228 2.101 1.00 0.00 C ATOM 233 C LEU A 16 -9.237 -8.076 3.199 1.00 0.00 C ATOM 234 O LEU A 16 -10.365 -7.869 2.742 1.00 0.00 O ATOM 235 CB LEU A 16 -6.535 -8.121 2.384 1.00 0.00 C ATOM 236 CG LEU A 16 -5.616 -9.267 1.902 1.00 0.00 C ATOM 237 CD1 LEU A 16 -4.170 -8.943 2.278 1.00 0.00 C ATOM 238 CD2 LEU A 16 -5.979 -10.688 2.336 1.00 0.00 C ATOM 0 H LEU A 16 -7.548 -6.411 1.123 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.335 -9.275 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.178 -7.196 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.402 -8.020 3.461 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.762 -9.298 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.517 -9.748 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.871 -8.009 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.090 -8.840 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.252 -11.390 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.971 -10.749 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.973 -10.939 1.965 1.00 0.00 H new ATOM 250 N PRO A 17 -9.165 -8.172 4.573 1.00 0.00 N ATOM 251 CA PRO A 17 -10.373 -8.155 5.451 1.00 0.00 C ATOM 252 C PRO A 17 -11.109 -6.786 5.654 1.00 0.00 C ATOM 253 O PRO A 17 -12.191 -6.591 5.097 1.00 0.00 O ATOM 254 CB PRO A 17 -9.765 -8.829 6.695 1.00 0.00 C ATOM 255 CG PRO A 17 -8.338 -8.412 6.802 1.00 0.00 C ATOM 256 CD PRO A 17 -7.974 -8.529 5.357 1.00 0.00 C ATOM 0 HA PRO A 17 -11.246 -8.659 5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.314 -8.538 7.591 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.839 -9.913 6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.219 -7.400 7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.750 -9.070 7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.143 -7.866 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.651 -9.543 5.124 1.00 0.00 H new ATOM 264 N ASN A 18 -10.551 -5.841 6.435 1.00 0.00 N ATOM 265 CA ASN A 18 -11.154 -4.494 6.652 1.00 0.00 C ATOM 266 C ASN A 18 -11.225 -3.666 5.330 1.00 0.00 C ATOM 267 O ASN A 18 -12.307 -3.392 4.817 1.00 0.00 O ATOM 268 CB ASN A 18 -10.420 -3.827 7.832 1.00 0.00 C ATOM 269 CG ASN A 18 -10.545 -4.427 9.226 1.00 0.00 C ATOM 270 OD1 ASN A 18 -10.764 -5.610 9.448 1.00 0.00 O ATOM 271 ND2 ASN A 18 -10.284 -3.635 10.224 1.00 0.00 N ATOM 0 H ASN A 18 -9.673 -5.980 6.935 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.203 -4.569 6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.359 -3.797 7.583 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.763 -2.794 7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.264 -4.003 11.175 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.099 -2.646 10.056 1.00 0.00 H new ATOM 278 N THR A 19 -10.065 -3.285 4.802 1.00 0.00 N ATOM 279 CA THR A 19 -9.874 -2.640 3.472 1.00 0.00 C ATOM 280 C THR A 19 -8.330 -2.685 3.304 1.00 0.00 C ATOM 281 O THR A 19 -7.612 -1.736 3.638 1.00 0.00 O ATOM 282 CB THR A 19 -10.561 -1.264 3.373 1.00 0.00 C ATOM 283 OG1 THR A 19 -11.960 -1.438 3.193 1.00 0.00 O ATOM 284 CG2 THR A 19 -10.138 -0.356 2.208 1.00 0.00 C ATOM 0 H THR A 19 -9.183 -3.416 5.298 1.00 0.00 H new ATOM 0 HA THR A 19 -10.362 -3.141 2.636 1.00 0.00 H new ATOM 0 HB THR A 19 -10.262 -0.783 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.237 -2.290 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.696 0.579 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.071 -0.146 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.347 -0.856 1.262 1.00 0.00 H new ATOM 292 N MET A 20 -7.822 -3.867 2.907 1.00 0.00 N ATOM 293 CA MET A 20 -6.381 -4.108 2.698 1.00 0.00 C ATOM 294 C MET A 20 -6.054 -4.530 1.248 1.00 0.00 C ATOM 295 O MET A 20 -6.938 -4.581 0.414 1.00 0.00 O ATOM 296 CB MET A 20 -5.968 -5.091 3.832 1.00 0.00 C ATOM 297 CG MET A 20 -5.931 -4.431 5.207 1.00 0.00 C ATOM 298 SD MET A 20 -5.556 -5.625 6.502 1.00 0.00 S ATOM 299 CE MET A 20 -5.463 -4.505 7.906 1.00 0.00 C ATOM 0 H MET A 20 -8.402 -4.685 2.721 1.00 0.00 H new ATOM 0 HA MET A 20 -5.774 -3.207 2.781 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.668 -5.926 3.854 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.985 -5.505 3.607 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.181 -3.640 5.212 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.893 -3.960 5.412 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.342 -5.081 8.823 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.611 -3.837 7.782 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.379 -3.918 7.964 1.00 0.00 H new ATOM 309 N PHE A 21 -4.785 -4.729 0.902 1.00 0.00 N ATOM 310 CA PHE A 21 -4.327 -4.838 -0.519 1.00 0.00 C ATOM 311 C PHE A 21 -3.159 -5.865 -0.525 1.00 0.00 C ATOM 312 O PHE A 21 -2.089 -5.567 0.019 1.00 0.00 O ATOM 313 CB PHE A 21 -3.826 -3.469 -1.072 1.00 0.00 C ATOM 314 CG PHE A 21 -4.874 -2.371 -0.980 1.00 0.00 C ATOM 315 CD1 PHE A 21 -6.022 -2.537 -1.737 1.00 0.00 C ATOM 316 CD2 PHE A 21 -4.944 -1.691 0.220 1.00 0.00 C ATOM 317 CE1 PHE A 21 -7.244 -2.054 -1.277 1.00 0.00 C ATOM 318 CE2 PHE A 21 -6.179 -1.226 0.656 1.00 0.00 C ATOM 319 CZ PHE A 21 -7.291 -1.275 -0.158 1.00 0.00 C ATOM 0 H PHE A 21 -4.031 -4.822 1.582 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.154 -5.151 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.938 -3.163 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.527 -3.592 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.969 -3.044 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.055 -1.524 0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.154 -2.296 -1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.270 -0.818 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.179 -0.710 0.085 1.00 0.00 H new ATOM 329 N ARG A 22 -3.320 -7.075 -1.079 1.00 0.00 N ATOM 330 CA ARG A 22 -2.151 -7.965 -1.320 1.00 0.00 C ATOM 331 C ARG A 22 -1.592 -7.511 -2.702 1.00 0.00 C ATOM 332 O ARG A 22 -2.103 -7.881 -3.761 1.00 0.00 O ATOM 333 CB ARG A 22 -2.486 -9.449 -1.220 1.00 0.00 C ATOM 334 CG ARG A 22 -1.204 -10.296 -1.120 1.00 0.00 C ATOM 335 CD ARG A 22 -0.690 -10.546 0.313 1.00 0.00 C ATOM 336 NE ARG A 22 0.791 -10.682 0.276 1.00 0.00 N ATOM 337 CZ ARG A 22 1.541 -11.468 1.035 1.00 0.00 C ATOM 338 NH1 ARG A 22 1.080 -12.258 1.956 1.00 0.00 N ATOM 339 NH2 ARG A 22 2.814 -11.426 0.852 1.00 0.00 N ATOM 0 H ARG A 22 -4.219 -7.462 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.391 -7.866 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.113 -9.626 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.062 -9.756 -2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.386 -11.259 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.417 -9.803 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.977 -9.721 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.142 -11.449 0.723 1.00 0.00 H new ATOM 0 HE ARG A 22 1.283 -10.107 -0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.077 -12.302 2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.721 -12.835 2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.207 -10.805 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.430 -12.014 1.414 1.00 0.00 H new ATOM 352 N VAL A 23 -0.602 -6.629 -2.646 1.00 0.00 N ATOM 353 CA VAL A 23 -0.166 -5.832 -3.825 1.00 0.00 C ATOM 354 C VAL A 23 1.094 -6.376 -4.519 1.00 0.00 C ATOM 355 O VAL A 23 2.124 -6.606 -3.885 1.00 0.00 O ATOM 356 CB VAL A 23 0.097 -4.325 -3.462 1.00 0.00 C ATOM 357 CG1 VAL A 23 -0.072 -3.365 -4.645 1.00 0.00 C ATOM 358 CG2 VAL A 23 -0.867 -3.749 -2.420 1.00 0.00 C ATOM 0 H VAL A 23 -0.071 -6.434 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.005 -5.916 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 23 1.123 -4.375 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.126 -2.345 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.629 -3.634 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.091 -3.433 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.615 -2.706 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.888 -3.812 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.785 -4.318 -1.494 1.00 0.00 H new ATOM 368 N GLU A 24 1.021 -6.461 -5.843 1.00 0.00 N ATOM 369 CA GLU A 24 2.221 -6.769 -6.666 1.00 0.00 C ATOM 370 C GLU A 24 2.841 -5.411 -7.101 1.00 0.00 C ATOM 371 O GLU A 24 2.235 -4.658 -7.863 1.00 0.00 O ATOM 372 CB GLU A 24 1.838 -7.684 -7.845 1.00 0.00 C ATOM 373 CG GLU A 24 3.041 -8.166 -8.695 1.00 0.00 C ATOM 374 CD GLU A 24 2.675 -9.179 -9.774 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.377 -10.346 -9.545 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.717 -8.646 -11.024 1.00 0.00 O ATOM 0 H GLU A 24 0.163 -6.326 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 24 2.971 -7.325 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.310 -8.555 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.141 -7.151 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.508 -7.302 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.785 -8.609 -8.033 1.00 0.00 H new ATOM 384 N LEU A 25 4.038 -5.108 -6.599 1.00 0.00 N ATOM 385 CA LEU A 25 4.769 -3.866 -6.805 1.00 0.00 C ATOM 386 C LEU A 25 5.054 -3.343 -8.240 1.00 0.00 C ATOM 387 O LEU A 25 4.778 -3.962 -9.270 1.00 0.00 O ATOM 388 CB LEU A 25 6.127 -4.340 -6.151 1.00 0.00 C ATOM 389 CG LEU A 25 6.527 -3.551 -4.918 1.00 0.00 C ATOM 390 CD1 LEU A 25 7.380 -4.339 -3.933 1.00 0.00 C ATOM 391 CD2 LEU A 25 7.336 -2.361 -5.364 1.00 0.00 C ATOM 0 H LEU A 25 4.549 -5.762 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 25 4.206 -3.015 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.041 -5.393 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.922 -4.263 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 25 5.604 -3.277 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.626 -3.708 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.827 -5.214 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.299 -4.660 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.635 -1.778 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.225 -2.703 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.734 -1.740 -6.027 1.00 0.00 H new ATOM 403 N GLU A 26 5.750 -2.203 -8.233 1.00 0.00 N ATOM 404 CA GLU A 26 6.379 -1.661 -9.477 1.00 0.00 C ATOM 405 C GLU A 26 7.608 -2.491 -9.996 1.00 0.00 C ATOM 406 O GLU A 26 7.863 -2.516 -11.201 1.00 0.00 O ATOM 407 CB GLU A 26 6.624 -0.132 -9.327 1.00 0.00 C ATOM 408 CG GLU A 26 7.769 0.363 -8.395 1.00 0.00 C ATOM 409 CD GLU A 26 9.192 0.308 -8.943 1.00 0.00 C ATOM 410 OE1 GLU A 26 10.090 -0.364 -8.445 1.00 0.00 O ATOM 411 OE2 GLU A 26 9.360 1.099 -10.035 1.00 0.00 O ATOM 0 H GLU A 26 5.900 -1.632 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 26 5.669 -1.787 -10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.814 0.270 -10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.696 0.317 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.555 1.395 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.737 -0.227 -7.479 1.00 0.00 H new ATOM 419 N ASN A 27 8.355 -3.176 -9.108 1.00 0.00 N ATOM 420 CA ASN A 27 9.375 -4.173 -9.500 1.00 0.00 C ATOM 421 C ASN A 27 8.835 -5.655 -9.612 1.00 0.00 C ATOM 422 O ASN A 27 9.630 -6.572 -9.832 1.00 0.00 O ATOM 423 CB ASN A 27 10.497 -3.983 -8.447 1.00 0.00 C ATOM 424 CG ASN A 27 10.300 -4.434 -7.004 1.00 0.00 C ATOM 425 OD1 ASN A 27 9.348 -5.097 -6.616 1.00 0.00 O ATOM 426 ND2 ASN A 27 11.230 -4.092 -6.160 1.00 0.00 N ATOM 0 H ASN A 27 8.270 -3.055 -8.099 1.00 0.00 H new ATOM 0 HA ASN A 27 9.733 -4.009 -10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.381 -4.497 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.734 -2.919 -8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.162 -4.377 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.027 -3.539 -6.476 1.00 0.00 H new ATOM 433 N GLY A 28 7.515 -5.896 -9.445 1.00 0.00 N ATOM 434 CA GLY A 28 6.913 -7.245 -9.460 1.00 0.00 C ATOM 435 C GLY A 28 6.870 -8.074 -8.152 1.00 0.00 C ATOM 436 O GLY A 28 6.477 -9.238 -8.232 1.00 0.00 O ATOM 0 H GLY A 28 6.833 -5.152 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.888 -7.142 -9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.450 -7.834 -10.203 1.00 0.00 H new ATOM 440 N HIS A 29 7.220 -7.530 -6.968 1.00 0.00 N ATOM 441 CA HIS A 29 7.181 -8.314 -5.692 1.00 0.00 C ATOM 442 C HIS A 29 5.811 -8.190 -4.935 1.00 0.00 C ATOM 443 O HIS A 29 5.202 -7.124 -4.827 1.00 0.00 O ATOM 444 CB HIS A 29 8.428 -7.913 -4.865 1.00 0.00 C ATOM 445 CG HIS A 29 8.544 -8.490 -3.455 1.00 0.00 C ATOM 446 ND1 HIS A 29 8.571 -9.847 -3.164 1.00 0.00 N ATOM 447 CD2 HIS A 29 8.455 -7.730 -2.282 1.00 0.00 C ATOM 448 CE1 HIS A 29 8.479 -9.776 -1.795 1.00 0.00 C ATOM 449 NE2 HIS A 29 8.434 -8.556 -1.177 1.00 0.00 N ATOM 0 H HIS A 29 7.530 -6.565 -6.857 1.00 0.00 H new ATOM 0 HA HIS A 29 7.233 -9.384 -5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.315 -8.209 -5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.447 -6.826 -4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.409 -6.652 -2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.442 -10.682 -1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.396 -8.324 -0.184 1.00 0.00 H new ATOM 457 N VAL A 30 5.344 -9.305 -4.367 1.00 0.00 N ATOM 458 CA VAL A 30 4.030 -9.368 -3.664 1.00 0.00 C ATOM 459 C VAL A 30 4.161 -9.019 -2.137 1.00 0.00 C ATOM 460 O VAL A 30 4.893 -9.656 -1.371 1.00 0.00 O ATOM 461 CB VAL A 30 3.359 -10.741 -4.018 1.00 0.00 C ATOM 462 CG1 VAL A 30 2.206 -11.165 -3.091 1.00 0.00 C ATOM 463 CG2 VAL A 30 2.771 -10.719 -5.448 1.00 0.00 C ATOM 0 H VAL A 30 5.850 -10.190 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 30 3.349 -8.592 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 30 4.175 -11.455 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.810 -12.126 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.575 -11.254 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.416 -10.415 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.312 -11.683 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.018 -9.934 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.568 -10.525 -6.166 1.00 0.00 H new ATOM 473 N VAL A 31 3.384 -8.012 -1.721 1.00 0.00 N ATOM 474 CA VAL A 31 3.376 -7.467 -0.323 1.00 0.00 C ATOM 475 C VAL A 31 1.946 -7.311 0.293 1.00 0.00 C ATOM 476 O VAL A 31 0.961 -7.028 -0.388 1.00 0.00 O ATOM 477 CB VAL A 31 4.089 -6.068 -0.225 1.00 0.00 C ATOM 478 CG1 VAL A 31 5.613 -6.151 -0.334 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.581 -4.990 -1.204 1.00 0.00 C ATOM 0 H VAL A 31 2.729 -7.534 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 31 3.922 -8.218 0.248 1.00 0.00 H new ATOM 0 HB VAL A 31 3.810 -5.748 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.038 -5.150 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.002 -6.773 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.886 -6.589 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.140 -4.067 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.722 -5.334 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.522 -4.806 -1.025 1.00 0.00 H new ATOM 489 N THR A 32 1.850 -7.397 1.626 1.00 0.00 N ATOM 490 CA THR A 32 0.577 -7.143 2.365 1.00 0.00 C ATOM 491 C THR A 32 0.473 -5.642 2.787 1.00 0.00 C ATOM 492 O THR A 32 1.394 -5.109 3.419 1.00 0.00 O ATOM 493 CB THR A 32 0.546 -8.080 3.611 1.00 0.00 C ATOM 494 OG1 THR A 32 0.368 -9.431 3.202 1.00 0.00 O ATOM 495 CG2 THR A 32 -0.587 -7.803 4.617 1.00 0.00 C ATOM 0 H THR A 32 2.635 -7.641 2.230 1.00 0.00 H new ATOM 0 HA THR A 32 -0.278 -7.355 1.723 1.00 0.00 H new ATOM 0 HB THR A 32 1.500 -7.888 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.352 -10.012 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.519 -8.509 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.495 -6.786 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.551 -7.918 4.121 1.00 0.00 H new ATOM 503 N ALA A 33 -0.665 -4.979 2.504 1.00 0.00 N ATOM 504 CA ALA A 33 -0.864 -3.583 2.961 1.00 0.00 C ATOM 505 C ALA A 33 -2.294 -3.143 3.370 1.00 0.00 C ATOM 506 O ALA A 33 -3.298 -3.669 2.906 1.00 0.00 O ATOM 507 CB ALA A 33 -0.428 -2.762 1.752 1.00 0.00 C ATOM 0 H ALA A 33 -1.444 -5.371 1.975 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.308 -3.450 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.533 -1.700 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.614 -2.982 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.053 -3.016 0.896 1.00 0.00 H new ATOM 513 N HIS A 34 -2.369 -2.119 4.219 1.00 0.00 N ATOM 514 CA HIS A 34 -3.623 -1.357 4.490 1.00 0.00 C ATOM 515 C HIS A 34 -3.540 0.011 3.755 1.00 0.00 C ATOM 516 O HIS A 34 -2.557 0.373 3.107 1.00 0.00 O ATOM 517 CB HIS A 34 -3.909 -1.122 6.017 1.00 0.00 C ATOM 518 CG HIS A 34 -2.731 -0.941 6.979 1.00 0.00 C ATOM 519 ND1 HIS A 34 -2.059 -1.995 7.583 1.00 0.00 N ATOM 520 CD2 HIS A 34 -2.074 0.273 7.226 1.00 0.00 C ATOM 521 CE1 HIS A 34 -1.012 -1.299 8.132 1.00 0.00 C ATOM 522 NE2 HIS A 34 -0.944 0.059 7.990 1.00 0.00 N ATOM 0 H HIS A 34 -1.566 -1.780 4.749 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.452 -1.961 4.120 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.539 -0.237 6.100 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.497 -1.967 6.374 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.278 -2.991 7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.405 1.237 6.870 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.241 -1.824 8.677 1.00 0.00 H new ATOM 530 N ILE A 35 -4.606 0.797 3.851 1.00 0.00 N ATOM 531 CA ILE A 35 -4.575 2.215 3.472 1.00 0.00 C ATOM 532 C ILE A 35 -4.102 3.070 4.727 1.00 0.00 C ATOM 533 O ILE A 35 -4.219 2.648 5.884 1.00 0.00 O ATOM 534 CB ILE A 35 -5.986 2.578 2.909 1.00 0.00 C ATOM 535 CG1 ILE A 35 -7.095 2.965 3.938 1.00 0.00 C ATOM 536 CG2 ILE A 35 -6.603 1.668 1.823 1.00 0.00 C ATOM 537 CD1 ILE A 35 -7.315 4.487 3.968 1.00 0.00 C ATOM 0 H ILE A 35 -5.513 0.477 4.191 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.856 2.440 2.684 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.659 3.488 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.028 2.465 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.812 2.616 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.582 2.054 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.951 1.651 0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.712 0.657 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.092 4.728 4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.387 4.983 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.622 4.830 2.980 1.00 0.00 H new ATOM 549 N SER A 36 -3.636 4.309 4.538 1.00 0.00 N ATOM 550 CA SER A 36 -3.132 5.184 5.647 1.00 0.00 C ATOM 551 C SER A 36 -4.146 5.922 6.577 1.00 0.00 C ATOM 552 O SER A 36 -3.790 6.918 7.211 1.00 0.00 O ATOM 553 CB SER A 36 -2.139 6.143 4.945 1.00 0.00 C ATOM 554 OG SER A 36 -2.767 6.976 3.960 1.00 0.00 O ATOM 0 H SER A 36 -3.590 4.750 3.619 1.00 0.00 H new ATOM 0 HA SER A 36 -2.694 4.537 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.660 6.773 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.352 5.558 4.470 1.00 0.00 H new ATOM 0 HG SER A 36 -2.770 6.515 3.095 1.00 0.00 H new ATOM 560 N GLY A 37 -5.381 5.420 6.731 1.00 0.00 N ATOM 561 CA GLY A 37 -6.456 6.109 7.521 1.00 0.00 C ATOM 562 C GLY A 37 -7.088 7.380 6.880 1.00 0.00 C ATOM 563 O GLY A 37 -8.304 7.561 6.864 1.00 0.00 O ATOM 0 H GLY A 37 -5.678 4.534 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.254 5.390 7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.041 6.387 8.490 1.00 0.00 H new ATOM 567 N LYS A 38 -6.221 8.247 6.361 1.00 0.00 N ATOM 568 CA LYS A 38 -6.535 9.528 5.685 1.00 0.00 C ATOM 569 C LYS A 38 -7.447 9.445 4.420 1.00 0.00 C ATOM 570 O LYS A 38 -8.416 10.195 4.288 1.00 0.00 O ATOM 571 CB LYS A 38 -5.162 10.186 5.405 1.00 0.00 C ATOM 572 CG LYS A 38 -4.180 10.348 6.591 1.00 0.00 C ATOM 573 CD LYS A 38 -4.756 10.999 7.867 1.00 0.00 C ATOM 574 CE LYS A 38 -3.683 11.214 8.943 1.00 0.00 C ATOM 575 NZ LYS A 38 -4.296 11.839 10.131 1.00 0.00 N ATOM 0 H LYS A 38 -5.216 8.074 6.397 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.165 10.131 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.661 9.600 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.345 11.175 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.793 9.363 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.332 10.944 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.209 11.957 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.549 10.368 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.228 10.261 9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.886 11.849 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.569 11.985 10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.710 12.756 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.041 11.217 10.505 1.00 0.00 H new ATOM 588 N MET A 39 -7.126 8.535 3.490 1.00 0.00 N ATOM 589 CA MET A 39 -7.928 8.312 2.256 1.00 0.00 C ATOM 590 C MET A 39 -9.314 7.615 2.387 1.00 0.00 C ATOM 591 O MET A 39 -10.117 7.805 1.473 1.00 0.00 O ATOM 592 CB MET A 39 -7.115 7.676 1.103 1.00 0.00 C ATOM 593 CG MET A 39 -5.732 7.083 1.276 1.00 0.00 C ATOM 594 SD MET A 39 -5.147 6.306 -0.243 1.00 0.00 S ATOM 595 CE MET A 39 -5.057 7.682 -1.411 1.00 0.00 C ATOM 0 H MET A 39 -6.308 7.930 3.561 1.00 0.00 H new ATOM 0 HA MET A 39 -8.181 9.344 2.011 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.738 6.883 0.691 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.025 8.443 0.333 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.035 7.865 1.577 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.749 6.346 2.079 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.190 7.553 -2.059 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.963 7.705 -2.017 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.963 8.619 -0.863 1.00 0.00 H new ATOM 605 N ARG A 40 -9.617 6.842 3.445 1.00 0.00 N ATOM 606 CA ARG A 40 -10.990 6.308 3.716 1.00 0.00 C ATOM 607 C ARG A 40 -12.202 7.289 3.490 1.00 0.00 C ATOM 608 O ARG A 40 -13.310 6.888 3.127 1.00 0.00 O ATOM 609 CB ARG A 40 -10.988 5.879 5.202 1.00 0.00 C ATOM 610 CG ARG A 40 -10.732 4.371 5.412 1.00 0.00 C ATOM 611 CD ARG A 40 -12.020 3.534 5.299 1.00 0.00 C ATOM 612 NE ARG A 40 -11.826 2.190 5.901 1.00 0.00 N ATOM 613 CZ ARG A 40 -12.482 1.089 5.548 1.00 0.00 C ATOM 614 NH1 ARG A 40 -13.316 1.009 4.555 1.00 0.00 N ATOM 615 NH2 ARG A 40 -12.271 0.028 6.244 1.00 0.00 N ATOM 0 H ARG A 40 -8.928 6.563 4.143 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.159 5.510 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.224 6.446 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.947 6.141 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.010 4.022 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.286 4.215 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.839 4.048 5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.303 3.432 4.251 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.134 2.105 6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.507 1.831 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.780 0.124 4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.622 0.055 7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.753 -0.840 6.009 1.00 0.00 H new ATOM 628 N LYS A 41 -11.957 8.577 3.774 1.00 0.00 N ATOM 629 CA LYS A 41 -12.929 9.681 3.559 1.00 0.00 C ATOM 630 C LYS A 41 -13.020 10.343 2.137 1.00 0.00 C ATOM 631 O LYS A 41 -13.935 11.113 1.841 1.00 0.00 O ATOM 632 CB LYS A 41 -12.586 10.729 4.654 1.00 0.00 C ATOM 633 CG LYS A 41 -12.788 10.371 6.153 1.00 0.00 C ATOM 634 CD LYS A 41 -11.538 9.831 6.889 1.00 0.00 C ATOM 635 CE LYS A 41 -10.450 10.890 7.144 1.00 0.00 C ATOM 636 NZ LYS A 41 -9.355 10.287 7.927 1.00 0.00 N ATOM 0 H LYS A 41 -11.070 8.894 4.165 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.928 9.249 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.540 11.006 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.179 11.620 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.139 11.261 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.580 9.626 6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.847 9.407 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.108 9.018 6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.068 11.271 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.872 11.739 7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.530 10.920 7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.667 10.145 8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.095 9.370 7.511 1.00 0.00 H new ATOM 649 N ASN A 42 -12.055 10.018 1.288 1.00 0.00 N ATOM 650 CA ASN A 42 -12.056 10.329 -0.167 1.00 0.00 C ATOM 651 C ASN A 42 -12.750 9.110 -0.864 1.00 0.00 C ATOM 652 O ASN A 42 -13.910 9.186 -1.275 1.00 0.00 O ATOM 653 CB ASN A 42 -10.582 10.662 -0.542 1.00 0.00 C ATOM 654 CG ASN A 42 -10.319 11.044 -1.985 1.00 0.00 C ATOM 655 OD1 ASN A 42 -11.181 11.425 -2.765 1.00 0.00 O ATOM 656 ND2 ASN A 42 -9.076 11.008 -2.371 1.00 0.00 N ATOM 0 H ASN A 42 -11.218 9.516 1.584 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.624 11.200 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.245 11.481 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.965 9.796 -0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.827 11.296 -3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.351 10.692 -1.727 1.00 0.00 H new ATOM 663 N TYR A 43 -12.051 7.971 -0.926 1.00 0.00 N ATOM 664 CA TYR A 43 -12.609 6.675 -1.313 1.00 0.00 C ATOM 665 C TYR A 43 -12.856 5.810 -0.028 1.00 0.00 C ATOM 666 O TYR A 43 -11.958 5.631 0.798 1.00 0.00 O ATOM 667 CB TYR A 43 -11.600 6.054 -2.324 1.00 0.00 C ATOM 668 CG TYR A 43 -10.252 5.431 -1.870 1.00 0.00 C ATOM 669 CD1 TYR A 43 -10.236 4.240 -1.132 1.00 0.00 C ATOM 670 CD2 TYR A 43 -9.039 5.984 -2.286 1.00 0.00 C ATOM 671 CE1 TYR A 43 -9.036 3.646 -0.763 1.00 0.00 C ATOM 672 CE2 TYR A 43 -7.835 5.359 -1.957 1.00 0.00 C ATOM 673 CZ TYR A 43 -7.833 4.205 -1.181 1.00 0.00 C ATOM 674 OH TYR A 43 -6.647 3.594 -0.872 1.00 0.00 O ATOM 0 H TYR A 43 -11.057 7.926 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 43 -13.582 6.747 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.138 5.276 -2.866 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.357 6.835 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.169 3.778 -0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.032 6.897 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.037 2.754 -0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.901 5.773 -2.307 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.983 4.273 -0.630 1.00 0.00 H new ATOM 684 N ILE A 44 -14.037 5.198 0.116 1.00 0.00 N ATOM 685 CA ILE A 44 -14.251 4.175 1.204 1.00 0.00 C ATOM 686 C ILE A 44 -13.447 2.856 0.879 1.00 0.00 C ATOM 687 O ILE A 44 -12.688 2.371 1.721 1.00 0.00 O ATOM 688 CB ILE A 44 -15.770 3.955 1.497 1.00 0.00 C ATOM 689 CG1 ILE A 44 -16.533 5.281 1.784 1.00 0.00 C ATOM 690 CG2 ILE A 44 -16.003 2.933 2.646 1.00 0.00 C ATOM 691 CD1 ILE A 44 -18.040 5.196 2.094 1.00 0.00 C ATOM 0 H ILE A 44 -14.850 5.370 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.844 4.553 2.142 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.184 3.537 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -16.046 5.771 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.406 5.933 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.073 2.812 2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.568 1.972 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.531 3.298 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -18.432 6.197 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -18.561 4.747 1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -18.195 4.583 2.982 1.00 0.00 H new ATOM 703 N ARG A 45 -13.605 2.309 -0.336 1.00 0.00 N ATOM 704 CA ARG A 45 -12.805 1.187 -0.867 1.00 0.00 C ATOM 705 C ARG A 45 -12.233 1.465 -2.312 1.00 0.00 C ATOM 706 O ARG A 45 -12.501 2.458 -2.993 1.00 0.00 O ATOM 707 CB ARG A 45 -13.641 -0.123 -0.842 1.00 0.00 C ATOM 708 CG ARG A 45 -14.055 -0.673 0.537 1.00 0.00 C ATOM 709 CD ARG A 45 -14.880 -1.966 0.397 1.00 0.00 C ATOM 710 NE ARG A 45 -15.124 -2.615 1.712 1.00 0.00 N ATOM 711 CZ ARG A 45 -14.418 -3.616 2.233 1.00 0.00 C ATOM 712 NH1 ARG A 45 -13.350 -4.128 1.695 1.00 0.00 N ATOM 713 NH2 ARG A 45 -14.824 -4.109 3.348 1.00 0.00 N ATOM 0 H ARG A 45 -14.309 2.641 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.939 1.075 -0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.547 0.044 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.071 -0.897 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.165 -0.869 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.638 0.078 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.834 -1.738 -0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.356 -2.661 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.904 -2.261 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.999 -3.761 0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.864 -4.896 2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.658 -3.732 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.313 -4.877 3.782 1.00 0.00 H new ATOM 726 N ILE A 46 -11.421 0.500 -2.737 1.00 0.00 N ATOM 727 CA ILE A 46 -10.790 0.401 -4.088 1.00 0.00 C ATOM 728 C ILE A 46 -10.935 -1.072 -4.606 1.00 0.00 C ATOM 729 O ILE A 46 -11.237 -2.009 -3.857 1.00 0.00 O ATOM 730 CB ILE A 46 -9.374 1.046 -4.194 1.00 0.00 C ATOM 731 CG1 ILE A 46 -8.407 0.844 -3.001 1.00 0.00 C ATOM 732 CG2 ILE A 46 -9.426 2.548 -4.463 1.00 0.00 C ATOM 733 CD1 ILE A 46 -7.220 0.057 -3.476 1.00 0.00 C ATOM 0 H ILE A 46 -11.161 -0.280 -2.134 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.334 1.036 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.969 0.486 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.088 1.808 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.911 0.317 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.412 2.942 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.946 2.731 -5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.958 3.045 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.528 -0.094 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.552 -0.910 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.717 0.604 -4.273 1.00 0.00 H new ATOM 745 N LEU A 47 -10.789 -1.269 -5.927 1.00 0.00 N ATOM 746 CA LEU A 47 -11.129 -2.570 -6.576 1.00 0.00 C ATOM 747 C LEU A 47 -9.960 -3.598 -6.580 1.00 0.00 C ATOM 748 O LEU A 47 -8.782 -3.240 -6.465 1.00 0.00 O ATOM 749 CB LEU A 47 -11.650 -2.207 -8.004 1.00 0.00 C ATOM 750 CG LEU A 47 -12.370 -3.301 -8.838 1.00 0.00 C ATOM 751 CD1 LEU A 47 -13.704 -3.739 -8.211 1.00 0.00 C ATOM 752 CD2 LEU A 47 -12.635 -2.785 -10.261 1.00 0.00 C ATOM 0 H LEU A 47 -10.442 -0.558 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.894 -3.096 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.336 -1.366 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.799 -1.855 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.709 -4.168 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.165 -4.505 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.523 -4.143 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -14.371 -2.880 -8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.140 -3.558 -10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.265 -1.896 -10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.688 -2.534 -10.739 1.00 0.00 H new ATOM 764 N THR A 48 -10.298 -4.886 -6.750 1.00 0.00 N ATOM 765 CA THR A 48 -9.297 -5.988 -6.882 1.00 0.00 C ATOM 766 C THR A 48 -8.630 -5.962 -8.307 1.00 0.00 C ATOM 767 O THR A 48 -8.978 -6.686 -9.242 1.00 0.00 O ATOM 768 CB THR A 48 -9.954 -7.337 -6.493 1.00 0.00 C ATOM 769 OG1 THR A 48 -10.792 -7.258 -5.338 1.00 0.00 O ATOM 770 CG2 THR A 48 -8.953 -8.461 -6.222 1.00 0.00 C ATOM 0 H THR A 48 -11.265 -5.205 -6.801 1.00 0.00 H new ATOM 0 HA THR A 48 -8.472 -5.845 -6.184 1.00 0.00 H new ATOM 0 HB THR A 48 -10.547 -7.567 -7.378 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.174 -8.141 -5.150 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.491 -9.371 -5.956 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.356 -8.640 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.297 -8.174 -5.400 1.00 0.00 H new ATOM 778 N GLY A 49 -7.677 -5.039 -8.423 1.00 0.00 N ATOM 779 CA GLY A 49 -6.924 -4.720 -9.670 1.00 0.00 C ATOM 780 C GLY A 49 -6.706 -3.220 -9.990 1.00 0.00 C ATOM 781 O GLY A 49 -6.434 -2.858 -11.134 1.00 0.00 O ATOM 0 H GLY A 49 -7.385 -4.463 -7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.947 -5.200 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.450 -5.174 -10.510 1.00 0.00 H new ATOM 785 N ASP A 50 -6.777 -2.359 -8.969 1.00 0.00 N ATOM 786 CA ASP A 50 -6.559 -0.903 -9.085 1.00 0.00 C ATOM 787 C ASP A 50 -5.076 -0.490 -8.822 1.00 0.00 C ATOM 788 O ASP A 50 -4.293 -1.184 -8.164 1.00 0.00 O ATOM 789 CB ASP A 50 -7.560 -0.195 -8.155 1.00 0.00 C ATOM 790 CG ASP A 50 -8.960 0.165 -8.648 1.00 0.00 C ATOM 791 OD1 ASP A 50 -9.773 0.746 -7.940 1.00 0.00 O ATOM 792 OD2 ASP A 50 -9.220 -0.219 -9.928 1.00 0.00 O ATOM 0 H ASP A 50 -6.992 -2.656 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.742 -0.588 -10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.682 -0.826 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.089 0.730 -7.821 1.00 0.00 H new ATOM 798 N LYS A 51 -4.725 0.701 -9.317 1.00 0.00 N ATOM 799 CA LYS A 51 -3.329 1.213 -9.275 1.00 0.00 C ATOM 800 C LYS A 51 -2.998 2.040 -8.007 1.00 0.00 C ATOM 801 O LYS A 51 -3.062 3.267 -7.914 1.00 0.00 O ATOM 802 CB LYS A 51 -3.007 1.918 -10.604 1.00 0.00 C ATOM 803 CG LYS A 51 -3.346 1.093 -11.864 1.00 0.00 C ATOM 804 CD LYS A 51 -2.937 -0.400 -11.892 1.00 0.00 C ATOM 805 CE LYS A 51 -2.575 -0.978 -13.268 1.00 0.00 C ATOM 806 NZ LYS A 51 -1.256 -0.494 -13.720 1.00 0.00 N ATOM 0 H LYS A 51 -5.386 1.342 -9.757 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.653 0.364 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.555 2.860 -10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.946 2.166 -10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.424 1.146 -12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.879 1.583 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.082 -0.534 -11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.757 -0.988 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.568 -2.067 -13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.337 -0.697 -13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.038 -0.901 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.272 0.544 -13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.527 -0.783 -13.037 1.00 0.00 H new ATOM 819 N VAL A 52 -2.633 1.235 -7.032 1.00 0.00 N ATOM 820 CA VAL A 52 -2.181 1.660 -5.687 1.00 0.00 C ATOM 821 C VAL A 52 -0.640 1.997 -5.667 1.00 0.00 C ATOM 822 O VAL A 52 0.158 1.568 -6.503 1.00 0.00 O ATOM 823 CB VAL A 52 -2.554 0.540 -4.643 1.00 0.00 C ATOM 824 CG1 VAL A 52 -4.047 0.325 -4.361 1.00 0.00 C ATOM 825 CG2 VAL A 52 -2.055 -0.872 -4.966 1.00 0.00 C ATOM 0 H VAL A 52 -2.637 0.221 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.693 2.583 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.043 0.977 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.168 -0.472 -3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.480 1.246 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.555 0.047 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.370 -1.558 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.472 -1.196 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.967 -0.868 -5.029 1.00 0.00 H new ATOM 835 N THR A 53 -0.204 2.795 -4.690 1.00 0.00 N ATOM 836 CA THR A 53 1.241 3.120 -4.458 1.00 0.00 C ATOM 837 C THR A 53 1.279 3.264 -2.901 1.00 0.00 C ATOM 838 O THR A 53 0.677 4.126 -2.254 1.00 0.00 O ATOM 839 CB THR A 53 1.698 4.385 -5.233 1.00 0.00 C ATOM 840 OG1 THR A 53 1.571 4.161 -6.634 1.00 0.00 O ATOM 841 CG2 THR A 53 3.170 4.757 -4.997 1.00 0.00 C ATOM 0 H THR A 53 -0.831 3.246 -4.024 1.00 0.00 H new ATOM 0 HA THR A 53 1.941 2.371 -4.828 1.00 0.00 H new ATOM 0 HB THR A 53 1.063 5.192 -4.867 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.241 3.252 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.416 5.650 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.331 4.951 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.809 3.934 -5.316 1.00 0.00 H new ATOM 849 N VAL A 54 1.984 2.306 -2.334 1.00 0.00 N ATOM 850 CA VAL A 54 1.894 1.892 -0.907 1.00 0.00 C ATOM 851 C VAL A 54 3.279 2.152 -0.262 1.00 0.00 C ATOM 852 O VAL A 54 4.318 1.811 -0.848 1.00 0.00 O ATOM 853 CB VAL A 54 1.425 0.381 -0.964 1.00 0.00 C ATOM 854 CG1 VAL A 54 1.092 -0.442 0.260 1.00 0.00 C ATOM 855 CG2 VAL A 54 0.299 -0.020 -1.961 1.00 0.00 C ATOM 0 H VAL A 54 2.669 1.760 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 54 1.186 2.439 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 54 2.439 0.142 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.797 -1.446 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.967 -0.502 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.272 0.028 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.098 -1.088 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.607 0.540 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.616 0.207 -2.979 1.00 0.00 H new ATOM 865 N GLU A 55 3.319 2.814 0.907 1.00 0.00 N ATOM 866 CA GLU A 55 4.609 3.164 1.540 1.00 0.00 C ATOM 867 C GLU A 55 5.174 1.984 2.376 1.00 0.00 C ATOM 868 O GLU A 55 4.514 1.433 3.256 1.00 0.00 O ATOM 869 CB GLU A 55 4.465 4.418 2.432 1.00 0.00 C ATOM 870 CG GLU A 55 5.744 5.225 2.701 1.00 0.00 C ATOM 871 CD GLU A 55 5.625 6.282 3.792 1.00 0.00 C ATOM 872 OE1 GLU A 55 5.353 7.458 3.579 1.00 0.00 O ATOM 873 OE2 GLU A 55 5.857 5.775 5.032 1.00 0.00 O ATOM 0 H GLU A 55 2.494 3.114 1.426 1.00 0.00 H new ATOM 0 HA GLU A 55 5.312 3.381 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.735 5.082 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.051 4.107 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.541 4.533 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.048 5.714 1.775 1.00 0.00 H new ATOM 881 N LEU A 56 6.422 1.665 2.103 1.00 0.00 N ATOM 882 CA LEU A 56 7.161 0.574 2.784 1.00 0.00 C ATOM 883 C LEU A 56 8.485 1.183 3.326 1.00 0.00 C ATOM 884 O LEU A 56 8.489 2.221 3.997 1.00 0.00 O ATOM 885 CB LEU A 56 7.268 -0.700 1.891 1.00 0.00 C ATOM 886 CG LEU A 56 7.653 -0.588 0.405 1.00 0.00 C ATOM 887 CD1 LEU A 56 8.628 0.489 -0.090 1.00 0.00 C ATOM 888 CD2 LEU A 56 8.039 -1.962 -0.165 1.00 0.00 C ATOM 0 H LEU A 56 6.975 2.150 1.397 1.00 0.00 H new ATOM 0 HA LEU A 56 6.627 0.181 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.995 -1.361 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.303 -1.205 1.935 1.00 0.00 H new ATOM 0 HG LEU A 56 6.717 -0.198 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.762 0.391 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.226 1.476 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.590 0.365 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.307 -1.857 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.890 -2.360 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.194 -2.645 -0.072 1.00 0.00 H new ATOM 900 N THR A 57 9.613 0.537 3.041 1.00 0.00 N ATOM 901 CA THR A 57 10.946 1.022 3.395 1.00 0.00 C ATOM 902 C THR A 57 12.054 0.646 2.349 1.00 0.00 C ATOM 903 O THR A 57 11.849 -0.223 1.501 1.00 0.00 O ATOM 904 CB THR A 57 11.378 0.483 4.789 1.00 0.00 C ATOM 905 OG1 THR A 57 10.942 -0.838 5.078 1.00 0.00 O ATOM 906 CG2 THR A 57 11.057 1.373 5.978 1.00 0.00 C ATOM 0 H THR A 57 9.627 -0.356 2.548 1.00 0.00 H new ATOM 0 HA THR A 57 10.861 2.109 3.410 1.00 0.00 H new ATOM 0 HB THR A 57 12.461 0.480 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.661 -0.892 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.404 0.895 6.894 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.557 2.334 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.980 1.529 6.036 1.00 0.00 H new ATOM 914 N PRO A 58 13.273 1.251 2.425 1.00 0.00 N ATOM 915 CA PRO A 58 14.481 0.741 1.714 1.00 0.00 C ATOM 916 C PRO A 58 14.976 -0.689 2.156 1.00 0.00 C ATOM 917 O PRO A 58 15.375 -1.547 1.371 1.00 0.00 O ATOM 918 CB PRO A 58 15.517 1.794 2.068 1.00 0.00 C ATOM 919 CG PRO A 58 14.695 3.025 2.384 1.00 0.00 C ATOM 920 CD PRO A 58 13.569 2.446 3.232 1.00 0.00 C ATOM 0 HA PRO A 58 14.281 0.604 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.122 1.488 2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.203 1.974 1.240 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.272 3.772 2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.319 3.507 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.886 2.203 4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.716 3.119 3.318 1.00 0.00 H new ATOM 928 N TYR A 59 14.954 -0.835 3.487 1.00 0.00 N ATOM 929 CA TYR A 59 15.450 -2.007 4.253 1.00 0.00 C ATOM 930 C TYR A 59 14.496 -3.245 4.328 1.00 0.00 C ATOM 931 O TYR A 59 14.923 -4.385 4.139 1.00 0.00 O ATOM 932 CB TYR A 59 15.731 -1.424 5.681 1.00 0.00 C ATOM 933 CG TYR A 59 16.830 -2.099 6.508 1.00 0.00 C ATOM 934 CD1 TYR A 59 16.581 -3.298 7.184 1.00 0.00 C ATOM 935 CD2 TYR A 59 18.069 -1.467 6.665 1.00 0.00 C ATOM 936 CE1 TYR A 59 17.563 -3.862 7.996 1.00 0.00 C ATOM 937 CE2 TYR A 59 19.045 -2.028 7.484 1.00 0.00 C ATOM 938 CZ TYR A 59 18.792 -3.225 8.147 1.00 0.00 C ATOM 939 OH TYR A 59 19.756 -3.774 8.946 1.00 0.00 O ATOM 0 H TYR A 59 14.574 -0.111 4.096 1.00 0.00 H new ATOM 0 HA TYR A 59 16.320 -2.428 3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.989 -0.371 5.571 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.804 -1.467 6.252 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.625 -3.788 7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.269 -0.540 6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.371 -4.793 8.508 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.998 -1.534 7.605 1.00 0.00 H new ATOM 0 HH TYR A 59 20.552 -3.202 8.939 1.00 0.00 H new ATOM 949 N ASP A 60 13.219 -3.005 4.660 1.00 0.00 N ATOM 950 CA ASP A 60 12.219 -4.069 4.930 1.00 0.00 C ATOM 951 C ASP A 60 11.059 -4.077 3.882 1.00 0.00 C ATOM 952 O ASP A 60 9.998 -3.469 4.061 1.00 0.00 O ATOM 953 CB ASP A 60 11.764 -3.834 6.395 1.00 0.00 C ATOM 954 CG ASP A 60 11.112 -5.050 7.044 1.00 0.00 C ATOM 955 OD1 ASP A 60 11.654 -5.736 7.903 1.00 0.00 O ATOM 956 OD2 ASP A 60 9.870 -5.306 6.551 1.00 0.00 O ATOM 0 H ASP A 60 12.840 -2.062 4.751 1.00 0.00 H new ATOM 0 HA ASP A 60 12.638 -5.069 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.628 -3.537 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.060 -3.002 6.417 1.00 0.00 H new ATOM 962 N LEU A 61 11.276 -4.824 2.796 1.00 0.00 N ATOM 963 CA LEU A 61 10.288 -4.939 1.683 1.00 0.00 C ATOM 964 C LEU A 61 9.114 -5.967 1.816 1.00 0.00 C ATOM 965 O LEU A 61 8.414 -6.208 0.833 1.00 0.00 O ATOM 966 CB LEU A 61 11.057 -5.179 0.335 1.00 0.00 C ATOM 967 CG LEU A 61 12.322 -4.387 -0.106 1.00 0.00 C ATOM 968 CD1 LEU A 61 12.217 -2.880 0.141 1.00 0.00 C ATOM 969 CD2 LEU A 61 13.627 -4.923 0.507 1.00 0.00 C ATOM 0 H LEU A 61 12.127 -5.367 2.650 1.00 0.00 H new ATOM 0 HA LEU A 61 9.764 -3.984 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.342 -6.231 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.323 -5.045 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 61 12.364 -4.549 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.134 -2.392 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.371 -2.478 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.072 -2.695 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.467 -4.323 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.569 -4.865 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.771 -5.961 0.206 1.00 0.00 H new ATOM 981 N SER A 62 8.841 -6.549 2.990 1.00 0.00 N ATOM 982 CA SER A 62 7.695 -7.470 3.193 1.00 0.00 C ATOM 983 C SER A 62 6.262 -6.842 3.295 1.00 0.00 C ATOM 984 O SER A 62 5.276 -7.503 2.956 1.00 0.00 O ATOM 985 CB SER A 62 8.059 -8.270 4.468 1.00 0.00 C ATOM 986 OG SER A 62 8.034 -7.467 5.657 1.00 0.00 O ATOM 0 H SER A 62 9.401 -6.401 3.829 1.00 0.00 H new ATOM 0 HA SER A 62 7.583 -8.074 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.362 -9.100 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.052 -8.702 4.348 1.00 0.00 H new ATOM 0 HG SER A 62 8.798 -6.854 5.654 1.00 0.00 H new ATOM 992 N LYS A 63 6.142 -5.605 3.809 1.00 0.00 N ATOM 993 CA LYS A 63 4.849 -4.949 4.113 1.00 0.00 C ATOM 994 C LYS A 63 4.831 -3.427 3.746 1.00 0.00 C ATOM 995 O LYS A 63 5.873 -2.791 3.575 1.00 0.00 O ATOM 996 CB LYS A 63 4.710 -5.070 5.644 1.00 0.00 C ATOM 997 CG LYS A 63 4.238 -6.446 6.148 1.00 0.00 C ATOM 998 CD LYS A 63 2.718 -6.579 6.376 1.00 0.00 C ATOM 999 CE LYS A 63 2.196 -5.830 7.614 1.00 0.00 C ATOM 1000 NZ LYS A 63 0.728 -5.971 7.686 1.00 0.00 N ATOM 0 H LYS A 63 6.949 -5.021 4.029 1.00 0.00 H new ATOM 0 HA LYS A 63 4.049 -5.417 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.674 -4.844 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.007 -4.312 5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.549 -7.204 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.750 -6.667 7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.196 -6.207 5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.468 -7.636 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.656 -6.231 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.469 -4.776 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.371 -5.466 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.298 -5.569 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.479 -6.978 7.758 1.00 0.00 H new ATOM 1013 N GLY A 64 3.634 -2.830 3.754 1.00 0.00 N ATOM 1014 CA GLY A 64 3.463 -1.360 3.549 1.00 0.00 C ATOM 1015 C GLY A 64 2.040 -0.778 3.737 1.00 0.00 C ATOM 1016 O GLY A 64 1.152 -1.432 4.287 1.00 0.00 O ATOM 0 H GLY A 64 2.758 -3.331 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.132 -0.843 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.795 -1.119 2.539 1.00 0.00 H new ATOM 1020 N ARG A 65 1.813 0.477 3.292 1.00 0.00 N ATOM 1021 CA ARG A 65 0.462 1.120 3.358 1.00 0.00 C ATOM 1022 C ARG A 65 0.162 2.273 2.311 1.00 0.00 C ATOM 1023 O ARG A 65 0.913 3.249 2.271 1.00 0.00 O ATOM 1024 CB ARG A 65 0.217 1.639 4.805 1.00 0.00 C ATOM 1025 CG ARG A 65 0.953 2.917 5.301 1.00 0.00 C ATOM 1026 CD ARG A 65 0.687 3.271 6.775 1.00 0.00 C ATOM 1027 NE ARG A 65 1.455 2.369 7.675 1.00 0.00 N ATOM 1028 CZ ARG A 65 1.484 2.440 8.999 1.00 0.00 C ATOM 1029 NH1 ARG A 65 0.818 3.305 9.703 1.00 0.00 N ATOM 1030 NH2 ARG A 65 2.217 1.585 9.618 1.00 0.00 N ATOM 0 H ARG A 65 2.536 1.070 2.884 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.234 0.330 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.853 1.818 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.473 0.830 5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.025 2.782 5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.653 3.759 4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.968 4.307 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.378 3.186 6.989 1.00 0.00 H new ATOM 0 HE ARG A 65 2.007 1.632 7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.223 3.991 9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.890 3.299 10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.746 0.890 9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.270 1.601 10.636 1.00 0.00 H new ATOM 1043 N ILE A 66 -0.887 2.202 1.450 1.00 0.00 N ATOM 1044 CA ILE A 66 -1.347 3.342 0.565 1.00 0.00 C ATOM 1045 C ILE A 66 -1.435 4.735 1.284 1.00 0.00 C ATOM 1046 O ILE A 66 -2.356 5.036 2.051 1.00 0.00 O ATOM 1047 CB ILE A 66 -2.686 3.103 -0.234 1.00 0.00 C ATOM 1048 CG1 ILE A 66 -2.752 1.810 -1.070 1.00 0.00 C ATOM 1049 CG2 ILE A 66 -2.959 4.219 -1.291 1.00 0.00 C ATOM 1050 CD1 ILE A 66 -2.796 0.523 -0.257 1.00 0.00 C ATOM 0 H ILE A 66 -1.448 1.358 1.339 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.533 3.365 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.408 3.072 0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.636 1.851 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.885 1.776 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.892 4.006 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.035 5.184 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.140 4.247 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.841 -0.332 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.900 0.452 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.678 0.527 0.383 1.00 0.00 H new ATOM 1062 N VAL A 67 -0.472 5.591 0.951 1.00 0.00 N ATOM 1063 CA VAL A 67 -0.370 6.981 1.468 1.00 0.00 C ATOM 1064 C VAL A 67 -1.342 7.971 0.729 1.00 0.00 C ATOM 1065 O VAL A 67 -1.984 7.614 -0.264 1.00 0.00 O ATOM 1066 CB VAL A 67 1.143 7.404 1.511 1.00 0.00 C ATOM 1067 CG1 VAL A 67 1.793 7.048 2.866 1.00 0.00 C ATOM 1068 CG2 VAL A 67 2.086 6.930 0.378 1.00 0.00 C ATOM 0 H VAL A 67 0.279 5.348 0.305 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.729 7.028 2.496 1.00 0.00 H new ATOM 0 HB VAL A 67 1.053 8.479 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.839 7.355 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.268 7.566 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.732 5.972 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.092 7.309 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.107 5.840 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.724 7.307 -0.578 1.00 0.00 H new ATOM 1078 N PHE A 68 -1.500 9.214 1.232 1.00 0.00 N ATOM 1079 CA PHE A 68 -2.474 10.191 0.655 1.00 0.00 C ATOM 1080 C PHE A 68 -2.081 10.795 -0.747 1.00 0.00 C ATOM 1081 O PHE A 68 -1.587 11.919 -0.873 1.00 0.00 O ATOM 1082 CB PHE A 68 -2.808 11.254 1.741 1.00 0.00 C ATOM 1083 CG PHE A 68 -4.137 11.994 1.493 1.00 0.00 C ATOM 1084 CD1 PHE A 68 -5.346 11.405 1.883 1.00 0.00 C ATOM 1085 CD2 PHE A 68 -4.159 13.240 0.857 1.00 0.00 C ATOM 1086 CE1 PHE A 68 -6.555 12.057 1.654 1.00 0.00 C ATOM 1087 CE2 PHE A 68 -5.370 13.888 0.619 1.00 0.00 C ATOM 1088 CZ PHE A 68 -6.566 13.297 1.021 1.00 0.00 C ATOM 0 H PHE A 68 -0.975 9.571 2.030 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.381 9.645 0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.850 10.766 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.999 11.983 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.341 10.438 2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.233 13.702 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.483 11.601 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.381 14.847 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.504 13.802 0.841 1.00 0.00 H new ATOM 1098 N ARG A 69 -2.349 10.017 -1.803 1.00 0.00 N ATOM 1099 CA ARG A 69 -2.128 10.419 -3.213 1.00 0.00 C ATOM 1100 C ARG A 69 -3.446 11.019 -3.810 1.00 0.00 C ATOM 1101 O ARG A 69 -4.475 10.342 -3.893 1.00 0.00 O ATOM 1102 CB ARG A 69 -1.623 9.153 -3.967 1.00 0.00 C ATOM 1103 CG ARG A 69 -1.407 9.344 -5.489 1.00 0.00 C ATOM 1104 CD ARG A 69 -0.857 8.100 -6.204 1.00 0.00 C ATOM 1105 NE ARG A 69 -0.997 8.305 -7.670 1.00 0.00 N ATOM 1106 CZ ARG A 69 -0.662 7.426 -8.607 1.00 0.00 C ATOM 1107 NH1 ARG A 69 -0.074 6.289 -8.375 1.00 0.00 N ATOM 1108 NH2 ARG A 69 -0.945 7.720 -9.827 1.00 0.00 N ATOM 0 H ARG A 69 -2.731 9.076 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.380 11.206 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.683 8.832 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.341 8.347 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.355 9.624 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.719 10.175 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.189 7.942 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.403 7.210 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.383 9.196 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.161 6.022 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.152 5.665 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.410 8.601 -10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.704 7.072 -10.577 1.00 0.00 H new ATOM 1121 N SER A 70 -3.405 12.292 -4.234 1.00 0.00 N ATOM 1122 CA SER A 70 -4.559 12.947 -4.927 1.00 0.00 C ATOM 1123 C SER A 70 -4.625 12.600 -6.454 1.00 0.00 C ATOM 1124 O SER A 70 -5.608 12.025 -6.923 1.00 0.00 O ATOM 1125 CB SER A 70 -4.532 14.460 -4.600 1.00 0.00 C ATOM 1126 OG SER A 70 -4.717 14.688 -3.200 1.00 0.00 O ATOM 0 H SER A 70 -2.594 12.899 -4.116 1.00 0.00 H new ATOM 0 HA SER A 70 -5.499 12.546 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.581 14.887 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.315 14.970 -5.161 1.00 0.00 H new ATOM 0 HG SER A 70 -4.694 15.651 -3.020 1.00 0.00 H new ATOM 1132 N ARG A 71 -3.576 12.938 -7.214 1.00 0.00 N ATOM 1133 CA ARG A 71 -3.435 12.603 -8.650 1.00 0.00 C ATOM 1134 C ARG A 71 -2.736 11.228 -8.910 1.00 0.00 C ATOM 1135 O ARG A 71 -3.136 10.404 -9.730 1.00 0.00 O ATOM 1136 CB ARG A 71 -2.736 13.828 -9.296 1.00 0.00 C ATOM 1137 CG ARG A 71 -1.240 14.109 -8.966 1.00 0.00 C ATOM 1138 CD ARG A 71 -0.703 15.429 -9.552 1.00 0.00 C ATOM 1139 NE ARG A 71 -0.569 15.336 -11.030 1.00 0.00 N ATOM 1140 CZ ARG A 71 -0.159 16.310 -11.831 1.00 0.00 C ATOM 1141 NH1 ARG A 71 0.196 17.493 -11.427 1.00 0.00 N ATOM 1142 NH2 ARG A 71 -0.114 16.057 -13.090 1.00 0.00 N ATOM 1143 OXT ARG A 71 -1.636 11.018 -8.124 1.00 0.00 O ATOM 0 H ARG A 71 -2.782 13.463 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.405 12.438 -9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.819 13.721 -10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.306 14.715 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.115 14.127 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.635 13.284 -9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.376 16.247 -9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.265 15.661 -9.109 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.813 14.446 -11.465 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.170 17.722 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.501 18.193 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.387 15.137 -13.435 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.195 16.776 -13.744 1.00 0.00 H new TER 1156 ARG A 71