USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 55 THR OG1 : rot -50:sc= 1.17 USER MOD Set 1.2: A 57 SER OG : rot -77:sc= 0.193 USER MOD Set 2.1: A 22 THR OG1 : rot -112:sc= 0.608 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.68 K(o=1.3,f=-0.016) USER MOD Set 3.1: A 7 THR OG1 : rot 170:sc= 0.188 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -113:sc= 0.857 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.606 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.29 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 0.89 (180deg=-0.849!) USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.0321 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00206 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 1.34 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.124) USER MOD Single : A 31 GLN : amide:sc=-0.00506 K(o=-0.0051,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.459 K(o=0.46,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.0145 USER MOD Single : A 60 ASN : amide:sc=-0.00565 K(o=-0.0057,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= 1 K(o=1,f=-0.38) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.991 -7.116 -4.655 1.00 9.67 N ATOM 2 CA MET A 1 11.804 -7.621 -3.297 1.00 10.38 C ATOM 3 C MET A 1 10.308 -7.952 -3.051 1.00 9.62 C ATOM 4 O MET A 1 9.414 -7.681 -3.820 1.00 9.62 O ATOM 5 CB MET A 1 12.346 -6.525 -2.300 1.00 13.77 C ATOM 6 CG MET A 1 11.361 -5.330 -2.121 1.00 16.29 C ATOM 7 SD MET A 1 11.940 -4.190 -0.792 1.00 17.17 S ATOM 8 CE MET A 1 10.826 -2.794 -1.136 1.00 16.11 C ATOM 0 H1 MET A 1 12.950 -6.725 -4.751 1.00 9.67 H new ATOM 0 H2 MET A 1 11.864 -7.893 -5.335 1.00 9.67 H new ATOM 0 H3 MET A 1 11.292 -6.370 -4.847 1.00 9.67 H new ATOM 0 HA MET A 1 12.356 -8.548 -3.141 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.533 -6.984 -1.329 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.302 -6.150 -2.665 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.272 -4.784 -3.060 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.368 -5.706 -1.875 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.022 -1.989 -0.428 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.996 -2.434 -2.151 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.791 -3.121 -1.036 1.00 16.11 H new ATOM 20 N GLN A 2 10.025 -8.600 -1.947 1.00 9.27 N ATOM 21 CA GLN A 2 8.702 -8.935 -1.402 1.00 9.07 C ATOM 22 C GLN A 2 8.363 -8.148 -0.112 1.00 8.72 C ATOM 23 O GLN A 2 9.078 -8.090 0.874 1.00 8.22 O ATOM 24 CB GLN A 2 8.679 -10.431 -1.010 1.00 14.46 C ATOM 25 CG GLN A 2 7.320 -10.955 -0.472 1.00 17.01 C ATOM 26 CD GLN A 2 7.360 -12.448 -0.220 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.766 -12.878 0.878 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.935 -13.271 -1.144 1.00 19.49 N ATOM 0 H GLN A 2 10.771 -8.943 -1.342 1.00 9.27 H new ATOM 0 HA GLN A 2 7.979 -8.684 -2.178 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.958 -11.022 -1.882 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.442 -10.603 -0.251 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.069 -10.436 0.453 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.532 -10.727 -1.189 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.605 -12.908 -2.038 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.933 -14.276 -0.970 1.00 19.49 H new ATOM 37 N ILE A 3 7.123 -7.627 -0.098 1.00 5.87 N ATOM 38 CA ILE A 3 6.522 -6.909 1.045 1.00 5.07 C ATOM 39 C ILE A 3 5.145 -7.452 1.430 1.00 4.01 C ATOM 40 O ILE A 3 4.571 -8.336 0.737 1.00 4.61 O ATOM 41 CB ILE A 3 6.443 -5.405 0.924 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.702 -4.973 -0.361 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.823 -4.726 0.966 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.285 -3.521 -0.379 1.00 10.83 C ATOM 0 H ILE A 3 6.495 -7.694 -0.899 1.00 5.87 H new ATOM 0 HA ILE A 3 7.241 -7.113 1.838 1.00 5.07 H new ATOM 0 HB ILE A 3 5.878 -5.075 1.796 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.346 -5.165 -1.220 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.815 -5.595 -0.482 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.700 -3.647 0.875 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.313 -4.957 1.912 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.434 -5.093 0.141 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.772 -3.301 -1.315 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.614 -3.325 0.457 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.168 -2.888 -0.292 1.00 10.83 H new ATOM 56 N PHE A 4 4.582 -7.094 2.544 1.00 4.55 N ATOM 57 CA PHE A 4 3.316 -7.662 3.041 1.00 4.68 C ATOM 58 C PHE A 4 2.460 -6.504 3.269 1.00 5.30 C ATOM 59 O PHE A 4 2.878 -5.511 3.865 1.00 5.58 O ATOM 60 CB PHE A 4 3.577 -8.399 4.415 1.00 4.83 C ATOM 61 CG PHE A 4 4.430 -9.584 4.244 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.034 -10.640 3.409 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.725 -9.769 4.907 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.747 -11.786 3.178 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.480 -10.927 4.654 1.00 10.61 C ATOM 66 CZ PHE A 4 5.964 -11.944 3.823 1.00 8.90 C ATOM 0 H PHE A 4 4.979 -6.387 3.162 1.00 4.55 H new ATOM 0 HA PHE A 4 2.876 -8.380 2.348 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.049 -7.709 5.114 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.625 -8.696 4.855 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.084 -10.540 2.905 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.097 -9.018 5.588 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.371 -12.547 2.511 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.459 -11.039 5.097 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.524 -12.857 3.688 1.00 8.90 H new ATOM 76 N VAL A 5 1.211 -6.639 2.805 1.00 4.44 N ATOM 77 CA VAL A 5 0.199 -5.683 3.209 1.00 3.87 C ATOM 78 C VAL A 5 -0.783 -6.473 4.119 1.00 4.93 C ATOM 79 O VAL A 5 -1.205 -7.565 3.834 1.00 6.84 O ATOM 80 CB VAL A 5 -0.463 -5.105 2.015 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.431 -3.996 2.485 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.590 -4.708 0.923 1.00 9.13 C ATOM 0 H VAL A 5 0.894 -7.375 2.174 1.00 4.44 H new ATOM 0 HA VAL A 5 0.614 -4.834 3.753 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.082 -5.836 1.495 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.929 -3.557 1.620 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.177 -4.424 3.155 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.871 -3.223 3.012 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.077 -4.287 0.059 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.278 -3.968 1.333 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.149 -5.593 0.618 1.00 9.13 H new ATOM 92 N LYS A 6 -1.076 -5.836 5.224 1.00 6.04 N ATOM 93 CA LYS A 6 -1.956 -6.440 6.198 1.00 6.12 C ATOM 94 C LYS A 6 -3.208 -5.604 6.211 1.00 6.57 C ATOM 95 O LYS A 6 -3.201 -4.413 6.369 1.00 5.76 O ATOM 96 CB LYS A 6 -1.205 -6.433 7.515 1.00 7.45 C ATOM 97 CG LYS A 6 -1.753 -7.302 8.650 1.00 11.12 C ATOM 98 CD LYS A 6 -1.677 -8.782 8.203 1.00 14.54 C ATOM 99 CE LYS A 6 -2.126 -9.759 9.218 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.990 -11.208 8.871 1.00 20.55 N ATOM 0 H LYS A 6 -0.725 -4.911 5.472 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.243 -7.469 5.984 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.179 -6.746 7.318 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.162 -5.404 7.871 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.173 -7.149 9.560 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.782 -7.026 8.878 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.282 -8.908 7.305 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.648 -9.012 7.928 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.566 -9.576 10.135 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.175 -9.560 9.439 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.935 -11.631 8.772 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.472 -11.303 7.974 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.468 -11.698 9.625 1.00 20.55 H new ATOM 114 N THR A 7 -4.381 -6.265 6.034 1.00 7.41 N ATOM 115 CA THR A 7 -5.718 -5.774 6.022 1.00 7.48 C ATOM 116 C THR A 7 -6.369 -5.668 7.381 1.00 8.75 C ATOM 117 O THR A 7 -5.880 -6.287 8.334 1.00 8.58 O ATOM 118 CB THR A 7 -6.575 -6.589 5.039 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.171 -7.776 5.559 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.857 -6.956 3.690 1.00 9.17 C ATOM 0 H THR A 7 -4.372 -7.273 5.881 1.00 7.41 H new ATOM 0 HA THR A 7 -5.654 -4.742 5.677 1.00 7.48 H new ATOM 0 HB THR A 7 -7.373 -5.872 4.844 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.817 -8.129 4.912 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.537 -7.530 3.060 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.567 -6.042 3.172 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.968 -7.551 3.901 1.00 9.17 H new ATOM 128 N LEU A 8 -7.482 -4.861 7.488 1.00 9.84 N ATOM 129 CA LEU A 8 -8.213 -4.573 8.727 1.00 14.15 C ATOM 130 C LEU A 8 -9.002 -5.748 9.200 1.00 17.37 C ATOM 131 O LEU A 8 -9.267 -5.931 10.399 1.00 17.01 O ATOM 132 CB LEU A 8 -9.188 -3.386 8.531 1.00 16.63 C ATOM 133 CG LEU A 8 -8.538 -2.041 8.133 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.537 -1.037 7.581 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.690 -1.357 9.320 1.00 18.59 C ATOM 0 H LEU A 8 -7.887 -4.392 6.678 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.459 -4.325 9.474 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.913 -3.659 7.764 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.743 -3.240 9.457 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.843 -2.312 7.338 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.019 -0.114 7.320 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.014 -1.449 6.692 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.296 -0.827 8.335 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.264 -0.418 8.968 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.345 -1.163 10.170 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.887 -2.027 9.627 1.00 18.59 H new ATOM 147 N THR A 9 -9.335 -6.568 8.228 1.00 18.33 N ATOM 148 CA THR A 9 -9.881 -7.837 8.530 1.00 19.24 C ATOM 149 C THR A 9 -8.779 -8.941 8.691 1.00 19.48 C ATOM 150 O THR A 9 -9.173 -10.114 8.759 1.00 23.14 O ATOM 151 CB THR A 9 -11.001 -8.202 7.509 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.535 -8.242 6.167 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.185 -7.292 7.595 1.00 19.70 C ATOM 0 H THR A 9 -9.232 -6.365 7.234 1.00 18.33 H new ATOM 0 HA THR A 9 -10.355 -7.785 9.510 1.00 19.24 H new ATOM 0 HB THR A 9 -11.315 -9.206 7.795 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.276 -8.477 5.570 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.931 -7.595 6.861 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.616 -7.349 8.595 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.872 -6.268 7.392 1.00 19.70 H new ATOM 161 N GLY A 10 -7.453 -8.691 8.775 1.00 19.43 N ATOM 162 CA GLY A 10 -6.479 -9.637 9.320 1.00 18.74 C ATOM 163 C GLY A 10 -5.890 -10.575 8.204 1.00 17.62 C ATOM 164 O GLY A 10 -5.063 -11.404 8.420 1.00 19.74 O ATOM 0 H GLY A 10 -7.035 -7.816 8.461 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.668 -9.088 9.799 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.953 -10.243 10.092 1.00 18.74 H new ATOM 168 N LYS A 11 -6.219 -10.218 6.889 1.00 13.56 N ATOM 169 CA LYS A 11 -5.580 -10.892 5.755 1.00 11.91 C ATOM 170 C LYS A 11 -4.215 -10.351 5.480 1.00 10.18 C ATOM 171 O LYS A 11 -3.965 -9.171 5.382 1.00 9.10 O ATOM 172 CB LYS A 11 -6.361 -10.744 4.472 1.00 13.43 C ATOM 173 CG LYS A 11 -5.849 -11.435 3.230 1.00 16.69 C ATOM 174 CD LYS A 11 -6.942 -11.560 2.095 1.00 17.92 C ATOM 175 CE LYS A 11 -6.433 -12.315 0.801 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.368 -12.318 -0.357 1.00 21.93 N ATOM 0 H LYS A 11 -6.895 -9.497 6.637 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.535 -11.940 6.052 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.373 -11.103 4.657 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.436 -9.679 4.251 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.992 -10.884 2.842 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.494 -12.431 3.496 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.809 -12.086 2.494 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.277 -10.561 1.814 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.494 -11.861 0.484 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.213 -13.348 1.069 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.823 -12.335 -1.243 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.977 -13.160 -0.309 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.958 -11.462 -0.329 1.00 21.93 H new ATOM 190 N THR A 12 -3.204 -11.221 5.167 1.00 9.63 N ATOM 191 CA THR A 12 -1.920 -10.838 4.564 1.00 9.85 C ATOM 192 C THR A 12 -1.985 -10.885 3.028 1.00 11.66 C ATOM 193 O THR A 12 -2.188 -11.962 2.507 1.00 12.33 O ATOM 194 CB THR A 12 -0.796 -11.837 4.922 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.648 -11.873 6.307 1.00 10.91 O ATOM 196 CG2 THR A 12 0.527 -11.182 4.336 1.00 9.63 C ATOM 0 H THR A 12 -3.278 -12.224 5.337 1.00 9.63 H new ATOM 0 HA THR A 12 -1.718 -9.837 4.945 1.00 9.85 H new ATOM 0 HB THR A 12 -1.001 -12.837 4.541 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.062 -12.506 6.544 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.378 -11.830 4.547 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.425 -11.057 3.258 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.688 -10.209 4.800 1.00 9.63 H new ATOM 204 N ILE A 13 -1.806 -9.705 2.362 1.00 10.42 N ATOM 205 CA ILE A 13 -1.578 -9.608 0.914 1.00 11.84 C ATOM 206 C ILE A 13 -0.102 -9.498 0.676 1.00 10.55 C ATOM 207 O ILE A 13 0.574 -8.669 1.260 1.00 11.92 O ATOM 208 CB ILE A 13 -2.307 -8.432 0.241 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.679 -8.280 0.814 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.185 -8.701 -1.292 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.295 -6.921 0.421 1.00 16.46 C ATOM 0 H ILE A 13 -1.819 -8.799 2.831 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.993 -10.508 0.460 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.876 -7.449 0.431 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.317 -9.089 0.458 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.635 -8.363 1.900 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.683 -7.902 -1.842 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.132 -8.734 -1.573 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.655 -9.655 -1.533 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.293 -6.836 0.851 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.667 -6.114 0.799 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.360 -6.852 -0.665 1.00 16.46 H new ATOM 223 N THR A 14 0.372 -10.385 -0.141 1.00 9.39 N ATOM 224 CA THR A 14 1.789 -10.487 -0.421 1.00 9.63 C ATOM 225 C THR A 14 1.951 -9.860 -1.730 1.00 11.20 C ATOM 226 O THR A 14 1.335 -10.276 -2.690 1.00 11.63 O ATOM 227 CB THR A 14 2.424 -11.847 -0.373 1.00 10.38 C ATOM 228 OG1 THR A 14 2.134 -12.518 0.832 1.00 16.30 O ATOM 229 CG2 THR A 14 3.924 -11.797 -0.402 1.00 11.66 C ATOM 0 H THR A 14 -0.204 -11.064 -0.638 1.00 9.39 H new ATOM 0 HA THR A 14 2.327 -9.996 0.390 1.00 9.63 H new ATOM 0 HB THR A 14 2.020 -12.352 -1.250 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.711 -12.174 1.545 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.323 -12.811 -0.365 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.254 -11.311 -1.320 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.286 -11.233 0.458 1.00 11.66 H new ATOM 237 N LEU A 15 2.912 -8.889 -1.856 1.00 8.29 N ATOM 238 CA LEU A 15 3.162 -8.160 -3.081 1.00 9.03 C ATOM 239 C LEU A 15 4.651 -8.217 -3.455 1.00 8.59 C ATOM 240 O LEU A 15 5.453 -8.498 -2.557 1.00 7.79 O ATOM 241 CB LEU A 15 2.629 -6.731 -3.026 1.00 11.08 C ATOM 242 CG LEU A 15 1.152 -6.462 -2.696 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.804 -4.972 -2.661 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.173 -7.126 -3.759 1.00 15.27 C ATOM 0 H LEU A 15 3.522 -8.611 -1.087 1.00 8.29 H new ATOM 0 HA LEU A 15 2.605 -8.653 -3.877 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.226 -6.193 -2.290 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.830 -6.275 -3.995 1.00 11.08 H new ATOM 0 HG LEU A 15 1.016 -6.900 -1.707 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.253 -4.851 -2.423 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.407 -4.475 -1.901 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.010 -4.527 -3.635 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.860 -6.910 -3.486 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.380 -6.718 -4.749 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.327 -8.205 -3.772 1.00 15.27 H new ATOM 256 N GLU A 16 5.008 -8.044 -4.733 1.00 11.04 N ATOM 257 CA GLU A 16 6.360 -8.189 -5.171 1.00 11.50 C ATOM 258 C GLU A 16 6.609 -6.843 -5.881 1.00 10.13 C ATOM 259 O GLU A 16 5.904 -6.469 -6.838 1.00 9.83 O ATOM 260 CB GLU A 16 6.470 -9.336 -6.110 1.00 17.22 C ATOM 261 CG GLU A 16 7.842 -9.523 -6.762 1.00 23.33 C ATOM 262 CD GLU A 16 7.743 -10.392 -7.976 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.522 -11.622 -7.828 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.932 -9.897 -9.112 1.00 28.90 O ATOM 0 H GLU A 16 4.352 -7.800 -5.475 1.00 11.04 H new ATOM 0 HA GLU A 16 7.078 -8.394 -4.377 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.215 -10.249 -5.572 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.727 -9.211 -6.897 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.253 -8.552 -7.038 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.532 -9.970 -6.046 1.00 23.33 H new ATOM 271 N VAL A 17 7.614 -6.086 -5.379 1.00 8.99 N ATOM 272 CA VAL A 17 7.783 -4.652 -5.707 1.00 8.85 C ATOM 273 C VAL A 17 9.300 -4.410 -5.728 1.00 8.04 C ATOM 274 O VAL A 17 10.091 -5.192 -5.217 1.00 8.99 O ATOM 275 CB VAL A 17 7.170 -3.772 -4.586 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.669 -4.083 -4.338 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.907 -4.034 -3.259 1.00 10.54 C ATOM 0 H VAL A 17 8.323 -6.449 -4.742 1.00 8.99 H new ATOM 0 HA VAL A 17 7.298 -4.405 -6.651 1.00 8.85 H new ATOM 0 HB VAL A 17 7.273 -2.738 -4.915 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.290 -3.439 -3.544 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.104 -3.902 -5.252 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.558 -5.126 -4.043 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.474 -3.414 -2.474 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.807 -5.085 -2.988 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.963 -3.788 -3.374 1.00 10.54 H new ATOM 287 N GLU A 18 9.645 -3.248 -6.222 1.00 7.29 N ATOM 288 CA GLU A 18 11.001 -2.715 -6.143 1.00 7.08 C ATOM 289 C GLU A 18 11.002 -1.367 -5.385 1.00 6.45 C ATOM 290 O GLU A 18 9.938 -0.751 -5.278 1.00 5.28 O ATOM 291 CB GLU A 18 11.488 -2.488 -7.587 1.00 10.28 C ATOM 292 CG GLU A 18 11.666 -3.777 -8.507 1.00 12.65 C ATOM 293 CD GLU A 18 12.710 -4.770 -7.870 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.729 -4.435 -7.241 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.404 -5.977 -8.082 1.00 14.33 O ATOM 0 H GLU A 18 8.990 -2.629 -6.699 1.00 7.29 H new ATOM 0 HA GLU A 18 11.651 -3.409 -5.611 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.784 -1.816 -8.079 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.446 -1.970 -7.543 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.706 -4.279 -8.630 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.999 -3.478 -9.501 1.00 12.65 H new ATOM 302 N PRO A 19 12.052 -0.992 -4.703 1.00 7.24 N ATOM 303 CA PRO A 19 12.178 0.289 -4.029 1.00 7.07 C ATOM 304 C PRO A 19 11.858 1.523 -4.902 1.00 6.65 C ATOM 305 O PRO A 19 11.390 2.510 -4.351 1.00 6.37 O ATOM 306 CB PRO A 19 13.628 0.333 -3.660 1.00 7.61 C ATOM 307 CG PRO A 19 14.086 -1.105 -3.535 1.00 8.16 C ATOM 308 CD PRO A 19 13.262 -1.884 -4.550 1.00 7.49 C ATOM 0 HA PRO A 19 11.467 0.345 -3.205 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.206 0.859 -4.420 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.773 0.869 -2.722 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.152 -1.197 -3.742 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.924 -1.482 -2.525 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.793 -2.020 -5.492 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.996 -2.877 -4.187 1.00 7.49 H new ATOM 316 N SER A 20 12.047 1.452 -6.189 1.00 6.80 N ATOM 317 CA SER A 20 11.780 2.476 -7.170 1.00 6.28 C ATOM 318 C SER A 20 10.340 2.488 -7.693 1.00 8.45 C ATOM 319 O SER A 20 9.946 3.352 -8.486 1.00 7.26 O ATOM 320 CB SER A 20 12.644 2.365 -8.437 1.00 8.57 C ATOM 321 OG SER A 20 12.629 1.058 -8.950 1.00 11.13 O ATOM 0 H SER A 20 12.423 0.607 -6.619 1.00 6.80 H new ATOM 0 HA SER A 20 12.005 3.379 -6.603 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.276 3.059 -9.193 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.669 2.657 -8.208 1.00 8.57 H new ATOM 0 HG SER A 20 13.185 1.017 -9.756 1.00 11.13 H new ATOM 327 N ASP A 21 9.467 1.597 -7.288 1.00 7.50 N ATOM 328 CA ASP A 21 8.069 1.604 -7.666 1.00 7.70 C ATOM 329 C ASP A 21 7.192 2.467 -6.732 1.00 7.08 C ATOM 330 O ASP A 21 7.321 2.611 -5.505 1.00 8.11 O ATOM 331 CB ASP A 21 7.472 0.146 -7.676 1.00 11.00 C ATOM 332 CG ASP A 21 8.026 -0.784 -8.713 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.140 -0.305 -9.873 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.357 -1.943 -8.328 1.00 18.03 O ATOM 0 H ASP A 21 9.714 0.825 -6.669 1.00 7.50 H new ATOM 0 HA ASP A 21 8.047 2.037 -8.666 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.634 -0.298 -6.694 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.394 0.217 -7.819 1.00 11.00 H new ATOM 339 N THR A 22 6.353 3.309 -7.380 1.00 5.37 N ATOM 340 CA THR A 22 5.474 4.297 -6.695 1.00 6.01 C ATOM 341 C THR A 22 4.457 3.632 -5.714 1.00 8.01 C ATOM 342 O THR A 22 3.986 2.518 -5.869 1.00 8.11 O ATOM 343 CB THR A 22 4.732 5.234 -7.578 1.00 8.92 C ATOM 344 OG1 THR A 22 3.997 4.632 -8.611 1.00 10.22 O ATOM 345 CG2 THR A 22 5.580 6.350 -8.180 1.00 9.65 C ATOM 0 H THR A 22 6.264 3.325 -8.396 1.00 5.37 H new ATOM 0 HA THR A 22 6.201 4.892 -6.142 1.00 6.01 H new ATOM 0 HB THR A 22 4.028 5.668 -6.868 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.401 4.858 -9.475 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.954 6.983 -8.809 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.014 6.949 -7.380 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.378 5.916 -8.782 1.00 9.65 H new ATOM 353 N ILE A 23 3.968 4.332 -4.642 1.00 8.32 N ATOM 354 CA ILE A 23 2.845 3.904 -3.786 1.00 9.92 C ATOM 355 C ILE A 23 1.544 3.561 -4.626 1.00 10.01 C ATOM 356 O ILE A 23 0.829 2.620 -4.335 1.00 8.71 O ATOM 357 CB ILE A 23 2.600 5.051 -2.688 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.893 5.441 -1.961 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.405 4.597 -1.755 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.760 4.247 -1.398 1.00 12.30 C ATOM 0 H ILE A 23 4.362 5.228 -4.355 1.00 8.32 H new ATOM 0 HA ILE A 23 3.096 2.971 -3.281 1.00 9.92 H new ATOM 0 HB ILE A 23 2.299 5.985 -3.163 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.511 6.020 -2.647 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.635 6.099 -1.131 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.221 5.362 -1.001 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.507 4.457 -2.356 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.663 3.659 -1.264 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.648 4.643 -0.905 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.171 3.676 -0.680 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.060 3.597 -2.219 1.00 12.30 H new ATOM 372 N GLU A 24 1.281 4.364 -5.645 1.00 9.54 N ATOM 373 CA GLU A 24 0.099 4.302 -6.509 1.00 11.81 C ATOM 374 C GLU A 24 0.049 2.963 -7.226 1.00 11.14 C ATOM 375 O GLU A 24 -0.985 2.341 -7.326 1.00 10.62 O ATOM 376 CB GLU A 24 0.127 5.468 -7.501 1.00 19.24 C ATOM 377 CG GLU A 24 -0.854 5.407 -8.651 1.00 27.76 C ATOM 378 CD GLU A 24 -0.591 6.512 -9.716 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.960 7.687 -9.495 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.078 6.177 -10.724 1.00 34.80 O ATOM 0 H GLU A 24 1.915 5.117 -5.910 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.804 4.390 -5.905 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.055 6.389 -6.948 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.133 5.538 -7.915 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.793 4.427 -9.125 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.868 5.512 -8.266 1.00 27.76 H new ATOM 387 N ASN A 25 1.177 2.491 -7.779 1.00 9.43 N ATOM 388 CA ASN A 25 1.335 1.166 -8.264 1.00 10.96 C ATOM 389 C ASN A 25 1.056 0.083 -7.239 1.00 9.68 C ATOM 390 O ASN A 25 0.366 -0.899 -7.499 1.00 9.33 O ATOM 391 CB ASN A 25 2.783 0.946 -8.845 1.00 16.78 C ATOM 392 CG ASN A 25 2.703 1.426 -10.278 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.090 0.883 -11.182 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.272 2.606 -10.503 1.00 24.70 N ATOM 0 H ASN A 25 2.015 3.062 -7.891 1.00 9.43 H new ATOM 0 HA ASN A 25 0.582 1.070 -9.047 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.525 1.510 -8.280 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.074 -0.103 -8.795 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.192 3.044 -11.421 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.788 3.074 -9.758 1.00 24.70 H new ATOM 401 N VAL A 26 1.523 0.241 -5.993 1.00 6.52 N ATOM 402 CA VAL A 26 1.253 -0.715 -4.894 1.00 5.53 C ATOM 403 C VAL A 26 -0.258 -0.879 -4.628 1.00 4.42 C ATOM 404 O VAL A 26 -0.704 -1.987 -4.420 1.00 3.40 O ATOM 405 CB VAL A 26 2.033 -0.468 -3.632 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.709 -1.510 -2.496 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.550 -0.550 -3.921 1.00 8.12 C ATOM 0 H VAL A 26 2.100 1.034 -5.712 1.00 6.52 H new ATOM 0 HA VAL A 26 1.631 -1.670 -5.260 1.00 5.53 H new ATOM 0 HB VAL A 26 1.743 0.525 -3.288 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.302 -1.280 -1.611 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.649 -1.458 -2.246 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.951 -2.514 -2.844 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.106 -0.370 -3.001 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.794 -1.541 -4.304 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.820 0.203 -4.662 1.00 8.12 H new ATOM 417 N LYS A 27 -1.050 0.207 -4.669 1.00 2.64 N ATOM 418 CA LYS A 27 -2.472 0.123 -4.572 1.00 4.14 C ATOM 419 C LYS A 27 -3.102 -0.625 -5.785 1.00 5.58 C ATOM 420 O LYS A 27 -4.189 -1.166 -5.670 1.00 4.11 O ATOM 421 CB LYS A 27 -3.074 1.563 -4.513 1.00 3.97 C ATOM 422 CG LYS A 27 -2.601 2.232 -3.208 1.00 7.45 C ATOM 423 CD LYS A 27 -3.203 3.661 -2.961 1.00 9.02 C ATOM 424 CE LYS A 27 -2.819 4.333 -1.631 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.378 5.734 -1.605 1.00 15.47 N ATOM 0 H LYS A 27 -0.696 1.158 -4.771 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.703 -0.438 -3.666 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.752 2.145 -5.376 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.163 1.521 -4.545 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.864 1.589 -2.368 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.514 2.306 -3.225 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.890 4.312 -3.778 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.290 3.589 -3.009 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.210 3.757 -0.792 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.735 4.359 -1.522 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.819 6.319 -0.951 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.333 6.143 -2.560 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.367 5.707 -1.286 1.00 15.47 H new ATOM 439 N ALA A 28 -2.453 -0.610 -6.934 1.00 6.61 N ATOM 440 CA ALA A 28 -2.911 -1.156 -8.172 1.00 7.74 C ATOM 441 C ALA A 28 -2.676 -2.654 -8.220 1.00 9.17 C ATOM 442 O ALA A 28 -3.485 -3.401 -8.842 1.00 11.45 O ATOM 443 CB ALA A 28 -2.214 -0.402 -9.344 1.00 7.68 C ATOM 0 H ALA A 28 -1.530 -0.184 -7.019 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.987 -1.015 -8.269 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.557 -0.811 -10.295 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.463 0.658 -9.294 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.134 -0.525 -9.264 1.00 7.68 H new ATOM 449 N LYS A 29 -1.685 -3.124 -7.533 1.00 8.96 N ATOM 450 CA LYS A 29 -1.373 -4.574 -7.340 1.00 7.90 C ATOM 451 C LYS A 29 -2.301 -5.142 -6.347 1.00 6.92 C ATOM 452 O LYS A 29 -2.762 -6.219 -6.624 1.00 6.87 O ATOM 453 CB LYS A 29 -0.013 -4.588 -6.718 1.00 10.28 C ATOM 454 CG LYS A 29 1.124 -4.134 -7.661 1.00 14.94 C ATOM 455 CD LYS A 29 2.570 -4.066 -7.068 1.00 19.69 C ATOM 456 CE LYS A 29 3.525 -3.251 -7.919 1.00 22.63 C ATOM 457 NZ LYS A 29 3.594 -3.868 -9.253 1.00 24.98 N ATOM 0 H LYS A 29 -1.021 -2.514 -7.056 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.442 -5.132 -8.274 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.021 -3.941 -5.841 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.203 -5.597 -6.368 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.142 -4.810 -8.516 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.870 -3.145 -8.042 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.526 -3.635 -6.068 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.961 -5.078 -6.962 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.181 -2.220 -7.995 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.514 -3.224 -7.461 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.407 -3.480 -9.773 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.706 -4.897 -9.154 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.719 -3.663 -9.776 1.00 24.98 H new ATOM 471 N ILE A 30 -2.776 -4.395 -5.329 1.00 4.57 N ATOM 472 CA ILE A 30 -3.895 -4.803 -4.495 1.00 5.58 C ATOM 473 C ILE A 30 -5.170 -4.941 -5.323 1.00 7.26 C ATOM 474 O ILE A 30 -5.990 -5.854 -5.240 1.00 9.46 O ATOM 475 CB ILE A 30 -4.079 -4.016 -3.227 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.754 -3.980 -2.398 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.209 -4.695 -2.441 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.778 -3.178 -1.076 1.00 2.00 C ATOM 0 H ILE A 30 -2.383 -3.490 -5.072 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.635 -5.792 -4.117 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.336 -2.980 -3.446 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.470 -5.007 -2.167 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.969 -3.567 -3.031 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.379 -4.156 -1.509 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.122 -4.687 -3.036 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.930 -5.725 -2.219 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.799 -3.233 -0.599 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.021 -2.137 -1.287 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.531 -3.599 -0.409 1.00 2.00 H new ATOM 490 N GLN A 31 -5.386 -3.971 -6.283 1.00 7.06 N ATOM 491 CA GLN A 31 -6.555 -4.032 -7.104 1.00 8.67 C ATOM 492 C GLN A 31 -6.562 -5.242 -7.986 1.00 10.90 C ATOM 493 O GLN A 31 -7.601 -5.862 -8.201 1.00 9.63 O ATOM 494 CB GLN A 31 -6.579 -2.732 -7.951 1.00 9.12 C ATOM 495 CG GLN A 31 -7.898 -2.605 -8.752 1.00 10.76 C ATOM 496 CD GLN A 31 -7.797 -1.415 -9.705 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.720 -0.998 -10.118 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.964 -0.899 -10.090 1.00 14.76 N ATOM 0 H GLN A 31 -4.764 -3.184 -6.468 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.444 -4.113 -6.479 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.464 -1.868 -7.297 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.732 -2.727 -8.638 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.086 -3.520 -9.313 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.739 -2.470 -8.071 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.836 -1.278 -9.720 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.985 -0.125 -10.754 1.00 14.76 H new ATOM 507 N ASP A 32 -5.418 -5.675 -8.538 1.00 10.93 N ATOM 508 CA ASP A 32 -5.386 -6.806 -9.391 1.00 14.01 C ATOM 509 C ASP A 32 -5.624 -8.027 -8.606 1.00 14.04 C ATOM 510 O ASP A 32 -6.426 -8.874 -8.975 1.00 13.39 O ATOM 511 CB ASP A 32 -4.008 -6.807 -10.125 1.00 18.01 C ATOM 512 CG ASP A 32 -4.097 -7.715 -11.304 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.932 -7.571 -12.223 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.282 -8.655 -11.274 1.00 26.29 O ATOM 0 H ASP A 32 -4.511 -5.234 -8.389 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.175 -6.769 -10.143 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.749 -5.797 -10.444 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.220 -7.140 -9.450 1.00 18.01 H new ATOM 519 N LYS A 33 -5.010 -8.149 -7.418 1.00 14.22 N ATOM 520 CA LYS A 33 -5.245 -9.238 -6.534 1.00 14.00 C ATOM 521 C LYS A 33 -6.589 -9.359 -5.840 1.00 12.37 C ATOM 522 O LYS A 33 -7.163 -10.431 -5.794 1.00 12.17 O ATOM 523 CB LYS A 33 -4.129 -9.341 -5.430 1.00 18.62 C ATOM 524 CG LYS A 33 -2.753 -9.765 -5.986 1.00 24.00 C ATOM 525 CD LYS A 33 -1.863 -10.378 -4.907 1.00 27.61 C ATOM 526 CE LYS A 33 -0.511 -11.007 -5.380 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.788 -12.437 -5.539 1.00 30.06 N ATOM 0 H LYS A 33 -4.333 -7.472 -7.066 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.230 -10.062 -7.248 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.030 -8.376 -4.933 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.443 -10.059 -4.672 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.894 -10.485 -6.792 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.254 -8.898 -6.418 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.639 -9.605 -4.172 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.435 -11.150 -4.393 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.177 -10.564 -6.318 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.279 -10.838 -4.649 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.075 -12.925 -5.855 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.097 -12.834 -4.629 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.539 -12.569 -6.246 1.00 30.06 H new ATOM 541 N GLU A 34 -7.132 -8.278 -5.253 1.00 10.11 N ATOM 542 CA GLU A 34 -8.338 -8.217 -4.370 1.00 10.07 C ATOM 543 C GLU A 34 -9.505 -7.333 -4.846 1.00 9.32 C ATOM 544 O GLU A 34 -10.515 -7.197 -4.149 1.00 11.61 O ATOM 545 CB GLU A 34 -7.903 -7.532 -3.018 1.00 14.77 C ATOM 546 CG GLU A 34 -6.745 -8.201 -2.252 1.00 18.75 C ATOM 547 CD GLU A 34 -7.148 -9.589 -1.819 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.117 -9.768 -1.068 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.520 -10.510 -2.362 1.00 21.95 O ATOM 0 H GLU A 34 -6.721 -7.354 -5.384 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.684 -9.250 -4.325 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.620 -6.501 -3.233 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.771 -7.494 -2.360 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.860 -8.251 -2.886 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.480 -7.602 -1.381 1.00 18.75 H new ATOM 556 N GLY A 35 -9.409 -6.728 -6.033 1.00 7.22 N ATOM 557 CA GLY A 35 -10.448 -5.952 -6.669 1.00 6.29 C ATOM 558 C GLY A 35 -10.765 -4.581 -6.201 1.00 6.93 C ATOM 559 O GLY A 35 -11.698 -3.996 -6.681 1.00 7.41 O ATOM 0 H GLY A 35 -8.559 -6.775 -6.594 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.192 -5.879 -7.726 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.368 -6.533 -6.604 1.00 6.29 H new ATOM 563 N ILE A 36 -10.058 -4.033 -5.191 1.00 5.86 N ATOM 564 CA ILE A 36 -10.371 -2.688 -4.569 1.00 6.07 C ATOM 565 C ILE A 36 -9.923 -1.573 -5.537 1.00 6.36 C ATOM 566 O ILE A 36 -8.796 -1.553 -5.904 1.00 6.18 O ATOM 567 CB ILE A 36 -9.689 -2.532 -3.188 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.812 -3.799 -2.221 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.248 -1.266 -2.495 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.771 -3.906 -1.097 1.00 9.49 C ATOM 0 H ILE A 36 -9.251 -4.494 -4.770 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.446 -2.614 -4.402 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.621 -2.440 -3.383 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.803 -3.788 -1.768 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.750 -4.701 -2.830 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.775 -1.146 -1.521 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.038 -0.391 -3.111 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.325 -1.368 -2.365 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.960 -4.805 -0.511 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.772 -3.958 -1.530 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.842 -3.031 -0.451 1.00 9.49 H new ATOM 582 N PRO A 37 -10.666 -0.642 -6.094 1.00 8.65 N ATOM 583 CA PRO A 37 -10.229 0.692 -6.516 1.00 9.18 C ATOM 584 C PRO A 37 -9.090 1.310 -5.711 1.00 9.85 C ATOM 585 O PRO A 37 -9.321 1.343 -4.498 1.00 8.51 O ATOM 586 CB PRO A 37 -11.536 1.529 -6.624 1.00 11.42 C ATOM 587 CG PRO A 37 -12.637 0.442 -6.847 1.00 9.27 C ATOM 588 CD PRO A 37 -12.131 -0.718 -5.944 1.00 8.33 C ATOM 0 HA PRO A 37 -9.723 0.649 -7.480 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.719 2.108 -5.719 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.494 2.236 -7.452 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.624 0.793 -6.546 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.710 0.143 -7.893 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.438 -0.585 -4.907 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.520 -1.682 -6.270 1.00 8.33 H new ATOM 596 N PRO A 38 -7.953 1.893 -6.155 1.00 8.71 N ATOM 597 CA PRO A 38 -6.991 2.614 -5.296 1.00 9.08 C ATOM 598 C PRO A 38 -7.613 3.819 -4.573 1.00 9.28 C ATOM 599 O PRO A 38 -7.266 4.093 -3.441 1.00 6.50 O ATOM 600 CB PRO A 38 -5.822 3.087 -6.293 1.00 10.31 C ATOM 601 CG PRO A 38 -5.776 1.911 -7.274 1.00 10.81 C ATOM 602 CD PRO A 38 -7.272 1.509 -7.339 1.00 12.00 C ATOM 0 HA PRO A 38 -6.631 1.968 -4.496 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.060 4.028 -6.789 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.873 3.230 -5.776 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.387 2.204 -8.249 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.147 1.098 -6.911 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.742 1.980 -8.202 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.357 0.431 -7.479 1.00 12.00 H new ATOM 610 N ASP A 39 -8.642 4.448 -5.155 1.00 11.20 N ATOM 611 CA ASP A 39 -9.350 5.565 -4.519 1.00 14.96 C ATOM 612 C ASP A 39 -10.256 5.066 -3.361 1.00 13.99 C ATOM 613 O ASP A 39 -10.792 5.782 -2.540 1.00 13.75 O ATOM 614 CB ASP A 39 -10.320 6.122 -5.566 1.00 24.16 C ATOM 615 CG ASP A 39 -9.456 6.889 -6.561 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.538 7.640 -6.170 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.713 6.727 -7.815 1.00 35.55 O ATOM 0 H ASP A 39 -9.005 4.198 -6.075 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.618 6.282 -4.149 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.867 5.319 -6.060 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.061 6.776 -5.105 1.00 24.16 H new ATOM 622 N GLN A 40 -10.324 3.700 -3.171 1.00 11.60 N ATOM 623 CA GLN A 40 -10.788 3.139 -1.881 1.00 10.76 C ATOM 624 C GLN A 40 -9.704 2.687 -0.950 1.00 8.01 C ATOM 625 O GLN A 40 -9.989 2.175 0.146 1.00 8.96 O ATOM 626 CB GLN A 40 -11.876 1.996 -2.182 1.00 11.14 C ATOM 627 CG GLN A 40 -13.133 2.678 -2.746 1.00 14.85 C ATOM 628 CD GLN A 40 -14.192 1.735 -3.171 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.350 0.691 -2.345 1.00 20.52 O flip ATOM 630 NE2 GLN A 40 -14.867 1.886 -4.203 1.00 18.16 N flip ATOM 0 H GLN A 40 -10.071 3.006 -3.874 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.249 3.952 -1.321 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.482 1.272 -2.895 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.116 1.448 -1.271 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.540 3.348 -1.989 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.847 3.295 -3.598 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.710 2.698 -4.801 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.578 1.198 -4.453 1.00 18.16 H new ATOM 639 N GLN A 41 -8.411 2.928 -1.294 1.00 6.52 N ATOM 640 CA GLN A 41 -7.313 2.470 -0.442 1.00 3.87 C ATOM 641 C GLN A 41 -6.552 3.593 0.158 1.00 4.79 C ATOM 642 O GLN A 41 -6.016 4.451 -0.525 1.00 6.34 O ATOM 643 CB GLN A 41 -6.304 1.759 -1.349 1.00 4.20 C ATOM 644 CG GLN A 41 -6.927 0.472 -1.878 1.00 3.20 C ATOM 645 CD GLN A 41 -5.838 -0.260 -2.642 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.806 -0.576 -2.143 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.254 -0.728 -3.851 1.00 7.13 N ATOM 0 H GLN A 41 -8.121 3.425 -2.136 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.744 1.851 0.345 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.021 2.408 -2.178 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.393 1.535 -0.794 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.303 -0.141 -1.059 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.775 0.691 -2.527 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.149 -0.425 -4.235 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.670 -1.382 -4.373 1.00 7.13 H new ATOM 656 N ARG A 42 -6.367 3.597 1.484 1.00 5.73 N ATOM 657 CA ARG A 42 -5.414 4.421 2.137 1.00 6.97 C ATOM 658 C ARG A 42 -4.251 3.480 2.570 1.00 7.15 C ATOM 659 O ARG A 42 -4.502 2.402 3.143 1.00 7.33 O ATOM 660 CB ARG A 42 -6.030 5.185 3.319 1.00 13.23 C ATOM 661 CG ARG A 42 -6.884 6.466 3.053 1.00 21.27 C ATOM 662 CD ARG A 42 -7.117 7.405 4.282 1.00 26.14 C ATOM 663 NE ARG A 42 -7.783 8.662 3.855 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.108 8.897 3.958 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.917 8.075 4.536 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.611 9.996 3.411 1.00 36.39 N ATOM 0 H ARG A 42 -6.900 3.006 2.122 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.045 5.201 1.471 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.658 4.483 3.868 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.214 5.470 3.983 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.399 7.044 2.266 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.856 6.157 2.668 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.730 6.896 5.026 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.164 7.635 4.758 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.199 9.398 3.457 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.562 7.207 4.938 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.912 8.293 4.591 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.998 10.648 2.922 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.610 10.189 3.480 1.00 36.39 H new ATOM 680 N LEU A 43 -2.951 3.787 2.271 1.00 4.65 N ATOM 681 CA LEU A 43 -1.916 2.930 2.738 1.00 3.51 C ATOM 682 C LEU A 43 -1.096 3.613 3.750 1.00 5.56 C ATOM 683 O LEU A 43 -0.636 4.734 3.567 1.00 4.19 O ATOM 684 CB LEU A 43 -0.967 2.302 1.588 1.00 3.74 C ATOM 685 CG LEU A 43 -1.479 1.264 0.654 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.480 1.030 -0.424 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.965 -0.015 1.256 1.00 6.41 C ATOM 0 H LEU A 43 -2.645 4.595 1.729 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.438 2.080 3.178 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.612 3.133 0.978 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.096 1.879 2.089 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.399 1.683 0.246 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.855 0.269 -1.109 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.310 1.958 -0.970 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.458 0.691 0.016 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.310 -0.681 0.465 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.152 -0.492 1.804 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.789 0.194 1.939 1.00 6.41 H new ATOM 699 N ILE A 44 -0.858 2.861 4.868 1.00 4.58 N ATOM 700 CA ILE A 44 -0.190 3.287 6.092 1.00 5.55 C ATOM 701 C ILE A 44 0.968 2.482 6.384 1.00 5.46 C ATOM 702 O ILE A 44 0.881 1.260 6.388 1.00 6.04 O ATOM 703 CB ILE A 44 -1.197 3.440 7.249 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.027 4.762 7.252 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.454 3.497 8.598 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.973 5.068 6.104 1.00 13.90 C ATOM 0 H ILE A 44 -1.154 1.886 4.919 1.00 4.58 H new ATOM 0 HA ILE A 44 0.218 4.286 5.941 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.856 2.583 7.111 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.616 4.773 8.169 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.320 5.589 7.318 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.176 3.605 9.407 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.114 2.578 8.739 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.226 4.349 8.603 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.461 6.027 6.280 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.411 5.113 5.171 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.727 4.284 6.035 1.00 13.90 H new ATOM 718 N PHE A 45 2.090 3.088 6.730 1.00 6.75 N ATOM 719 CA PHE A 45 3.314 2.367 7.148 1.00 4.70 C ATOM 720 C PHE A 45 3.732 3.093 8.384 1.00 6.34 C ATOM 721 O PHE A 45 3.880 4.296 8.410 1.00 5.45 O ATOM 722 CB PHE A 45 4.411 2.274 5.990 1.00 5.51 C ATOM 723 CG PHE A 45 5.580 1.511 6.441 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.601 0.080 6.609 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.744 2.203 6.823 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.698 -0.592 7.195 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.881 1.549 7.338 1.00 6.64 C ATOM 728 CZ PHE A 45 7.845 0.182 7.554 1.00 6.84 C ATOM 0 H PHE A 45 2.194 4.103 6.734 1.00 6.75 H new ATOM 0 HA PHE A 45 3.152 1.309 7.355 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.978 1.799 5.110 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.718 3.277 5.692 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.751 -0.498 6.277 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.767 3.278 6.717 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.670 -1.658 7.366 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.775 2.111 7.563 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.697 -0.308 8.001 1.00 6.84 H new ATOM 738 N ALA A 46 3.892 2.336 9.499 1.00 6.53 N ATOM 739 CA ALA A 46 4.396 2.804 10.773 1.00 7.15 C ATOM 740 C ALA A 46 3.725 4.139 11.307 1.00 9.00 C ATOM 741 O ALA A 46 4.319 5.185 11.610 1.00 11.15 O ATOM 742 CB ALA A 46 5.925 2.760 10.769 1.00 8.99 C ATOM 0 H ALA A 46 3.657 1.343 9.514 1.00 6.53 H new ATOM 0 HA ALA A 46 4.072 2.109 11.548 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.302 3.113 11.729 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.259 1.736 10.602 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.305 3.400 9.973 1.00 8.99 H new ATOM 748 N GLY A 47 2.379 4.110 11.352 1.00 9.35 N ATOM 749 CA GLY A 47 1.506 5.162 11.827 1.00 11.68 C ATOM 750 C GLY A 47 1.244 6.343 10.893 1.00 11.14 C ATOM 751 O GLY A 47 0.378 7.176 11.126 1.00 13.93 O ATOM 0 H GLY A 47 1.856 3.294 11.035 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.545 4.713 12.078 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.926 5.554 12.753 1.00 11.68 H new ATOM 755 N LYS A 48 1.943 6.388 9.760 1.00 10.47 N ATOM 756 CA LYS A 48 1.967 7.431 8.805 1.00 8.82 C ATOM 757 C LYS A 48 1.340 7.001 7.489 1.00 7.68 C ATOM 758 O LYS A 48 1.625 5.981 6.851 1.00 6.47 O ATOM 759 CB LYS A 48 3.412 7.899 8.538 1.00 9.74 C ATOM 760 CG LYS A 48 3.942 8.849 9.579 1.00 14.14 C ATOM 761 CD LYS A 48 5.492 9.004 9.504 1.00 16.32 C ATOM 762 CE LYS A 48 6.187 7.796 10.047 1.00 20.04 C ATOM 763 NZ LYS A 48 7.617 8.002 10.045 1.00 23.92 N ATOM 0 H LYS A 48 2.551 5.616 9.488 1.00 10.47 H new ATOM 0 HA LYS A 48 1.385 8.253 9.222 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.064 7.027 8.489 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.453 8.383 7.562 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.475 9.825 9.449 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.662 8.492 10.570 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.794 9.165 8.469 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.799 9.886 10.066 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.842 7.594 11.061 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.937 6.922 9.445 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.090 7.157 10.424 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.942 8.173 9.072 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.850 8.824 10.638 1.00 23.92 H new ATOM 777 N GLN A 49 0.370 7.838 7.207 1.00 8.89 N ATOM 778 CA GLN A 49 -0.269 7.885 5.881 1.00 7.18 C ATOM 779 C GLN A 49 0.677 8.195 4.733 1.00 8.23 C ATOM 780 O GLN A 49 1.410 9.174 4.724 1.00 9.70 O ATOM 781 CB GLN A 49 -1.404 8.934 5.839 1.00 11.67 C ATOM 782 CG GLN A 49 -2.474 8.832 4.757 1.00 15.82 C ATOM 783 CD GLN A 49 -3.488 9.967 4.766 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.564 9.832 5.371 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.187 11.117 4.108 1.00 20.67 N ATOM 0 H GLN A 49 -0.009 8.509 7.875 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.652 6.874 5.741 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.910 8.908 6.804 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.940 9.916 5.749 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.986 8.804 3.783 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.004 7.887 4.875 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.297 11.206 3.618 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.851 11.891 4.104 1.00 20.67 H new ATOM 794 N LEU A 50 0.634 7.368 3.639 1.00 6.51 N ATOM 795 CA LEU A 50 1.462 7.484 2.439 1.00 7.41 C ATOM 796 C LEU A 50 0.810 8.283 1.263 1.00 8.27 C ATOM 797 O LEU A 50 -0.406 8.285 1.111 1.00 8.34 O ATOM 798 CB LEU A 50 1.892 6.137 1.910 1.00 7.13 C ATOM 799 CG LEU A 50 2.571 5.200 2.923 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.491 3.773 2.354 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.023 5.621 3.248 1.00 9.11 C ATOM 0 H LEU A 50 -0.011 6.579 3.589 1.00 6.51 H new ATOM 0 HA LEU A 50 2.324 8.053 2.787 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.015 5.630 1.508 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.577 6.298 1.078 1.00 7.13 H new ATOM 0 HG LEU A 50 2.051 5.254 3.879 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.964 3.078 3.047 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.446 3.494 2.217 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.006 3.735 1.394 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.452 4.924 3.968 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.618 5.611 2.335 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.025 6.626 3.671 1.00 9.11 H new ATOM 813 N GLU A 51 1.637 8.876 0.337 1.00 9.43 N ATOM 814 CA GLU A 51 1.204 9.718 -0.746 1.00 11.90 C ATOM 815 C GLU A 51 1.611 9.082 -2.068 1.00 11.49 C ATOM 816 O GLU A 51 2.730 8.568 -2.295 1.00 9.88 O ATOM 817 CB GLU A 51 1.846 11.115 -0.572 1.00 16.56 C ATOM 818 CG GLU A 51 1.304 12.245 -1.443 1.00 26.06 C ATOM 819 CD GLU A 51 1.998 13.531 -1.216 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.140 13.645 -1.726 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.485 14.425 -0.491 1.00 32.13 O ATOM 0 H GLU A 51 2.649 8.753 0.358 1.00 9.43 H new ATOM 0 HA GLU A 51 0.120 9.828 -0.743 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.735 11.410 0.471 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.915 11.022 -0.765 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.401 11.966 -2.492 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.240 12.372 -1.244 1.00 26.06 H new ATOM 828 N ASP A 52 0.627 9.086 -3.006 1.00 12.71 N ATOM 829 CA ASP A 52 0.580 8.182 -4.161 1.00 16.56 C ATOM 830 C ASP A 52 1.711 8.268 -5.121 1.00 15.83 C ATOM 831 O ASP A 52 2.206 7.218 -5.591 1.00 17.21 O ATOM 832 CB ASP A 52 -0.707 8.437 -4.848 1.00 21.05 C ATOM 833 CG ASP A 52 -1.913 8.093 -3.926 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.368 6.916 -3.813 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.323 9.094 -3.306 1.00 25.82 O ATOM 0 H ASP A 52 -0.162 9.731 -2.970 1.00 12.71 H new ATOM 0 HA ASP A 52 0.671 7.167 -3.774 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.762 9.484 -5.148 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.761 7.841 -5.759 1.00 21.05 H new ATOM 840 N GLY A 53 2.210 9.472 -5.398 1.00 15.00 N ATOM 841 CA GLY A 53 3.306 9.616 -6.364 1.00 11.77 C ATOM 842 C GLY A 53 4.777 9.497 -5.938 1.00 11.10 C ATOM 843 O GLY A 53 5.682 9.609 -6.755 1.00 11.25 O ATOM 0 H GLY A 53 1.885 10.344 -4.981 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.141 8.871 -7.142 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.190 10.595 -6.830 1.00 11.77 H new ATOM 847 N ARG A 54 5.023 9.259 -4.633 1.00 8.53 N ATOM 848 CA ARG A 54 6.363 8.968 -4.135 1.00 9.05 C ATOM 849 C ARG A 54 6.670 7.428 -4.289 1.00 8.96 C ATOM 850 O ARG A 54 5.815 6.547 -4.476 1.00 11.60 O ATOM 851 CB ARG A 54 6.452 9.449 -2.674 1.00 7.97 C ATOM 852 CG ARG A 54 5.909 10.860 -2.406 1.00 9.62 C ATOM 853 CD ARG A 54 6.554 11.553 -1.252 1.00 12.20 C ATOM 854 NE ARG A 54 5.708 12.663 -0.888 1.00 18.23 N ATOM 855 CZ ARG A 54 5.723 13.108 0.346 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.679 12.919 1.227 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.629 13.788 0.669 1.00 23.38 N ATOM 0 H ARG A 54 4.302 9.265 -3.912 1.00 8.53 H new ATOM 0 HA ARG A 54 7.121 9.496 -4.714 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.909 8.744 -2.045 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.496 9.416 -2.362 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.045 11.466 -3.302 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.836 10.796 -2.224 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.673 10.869 -0.411 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.551 11.902 -1.522 1.00 12.20 H new ATOM 0 HE ARG A 54 5.103 13.098 -1.584 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.508 12.381 0.973 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.593 13.310 2.165 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.887 13.917 -0.019 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.531 14.182 1.605 1.00 23.38 H new ATOM 871 N THR A 55 7.912 7.094 -4.174 1.00 9.05 N ATOM 872 CA THR A 55 8.341 5.708 -4.274 1.00 9.03 C ATOM 873 C THR A 55 8.699 5.132 -2.836 1.00 8.15 C ATOM 874 O THR A 55 8.870 5.802 -1.802 1.00 5.91 O ATOM 875 CB THR A 55 9.555 5.529 -5.211 1.00 11.15 C ATOM 876 OG1 THR A 55 10.694 6.081 -4.576 1.00 11.95 O ATOM 877 CG2 THR A 55 9.288 6.166 -6.607 1.00 11.71 C ATOM 0 H THR A 55 8.668 7.759 -4.009 1.00 9.05 H new ATOM 0 HA THR A 55 7.505 5.154 -4.701 1.00 9.03 H new ATOM 0 HB THR A 55 9.733 4.469 -5.395 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.486 6.985 -4.259 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.161 6.024 -7.245 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.422 5.688 -7.065 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.094 7.232 -6.489 1.00 11.71 H new ATOM 885 N LEU A 56 8.647 3.770 -2.699 1.00 6.91 N ATOM 886 CA LEU A 56 8.906 3.029 -1.450 1.00 8.29 C ATOM 887 C LEU A 56 10.308 3.452 -0.867 1.00 8.05 C ATOM 888 O LEU A 56 10.460 3.632 0.321 1.00 10.17 O ATOM 889 CB LEU A 56 8.822 1.495 -1.714 1.00 6.60 C ATOM 890 CG LEU A 56 7.454 0.915 -2.115 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.558 -0.267 -3.089 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.559 0.709 -0.920 1.00 8.64 C ATOM 0 H LEU A 56 8.417 3.156 -3.480 1.00 6.91 H new ATOM 0 HA LEU A 56 8.147 3.274 -0.707 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.535 1.250 -2.502 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.154 0.980 -0.812 1.00 6.60 H new ATOM 0 HG LEU A 56 6.938 1.668 -2.711 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.558 -0.628 -3.331 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.058 0.057 -4.002 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.132 -1.070 -2.627 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.604 0.298 -1.247 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.033 0.016 -0.226 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.392 1.664 -0.422 1.00 8.64 H new ATOM 904 N SER A 57 11.347 3.670 -1.738 1.00 8.92 N ATOM 905 CA SER A 57 12.659 4.130 -1.305 1.00 9.00 C ATOM 906 C SER A 57 12.732 5.570 -0.686 1.00 9.44 C ATOM 907 O SER A 57 13.533 5.836 0.178 1.00 10.91 O ATOM 908 CB SER A 57 13.698 4.006 -2.473 1.00 10.32 C ATOM 909 OG SER A 57 13.373 4.711 -3.607 1.00 13.59 O ATOM 0 H SER A 57 11.273 3.526 -2.745 1.00 8.92 H new ATOM 0 HA SER A 57 12.904 3.463 -0.478 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.669 4.347 -2.115 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.807 2.953 -2.734 1.00 10.32 H new ATOM 0 HG SER A 57 12.682 4.227 -4.106 1.00 13.59 H new ATOM 915 N ASP A 58 11.797 6.491 -0.999 1.00 9.11 N ATOM 916 CA ASP A 58 11.600 7.725 -0.407 1.00 7.91 C ATOM 917 C ASP A 58 11.047 7.601 1.006 1.00 9.12 C ATOM 918 O ASP A 58 11.255 8.504 1.801 1.00 8.61 O ATOM 919 CB ASP A 58 10.637 8.562 -1.198 1.00 8.41 C ATOM 920 CG ASP A 58 11.114 8.901 -2.598 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.177 9.564 -2.643 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.457 8.476 -3.577 1.00 11.70 O ATOM 0 H ASP A 58 11.126 6.323 -1.748 1.00 9.11 H new ATOM 0 HA ASP A 58 12.581 8.199 -0.376 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.686 8.034 -1.268 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.448 9.489 -0.656 1.00 8.41 H new ATOM 927 N TYR A 59 10.407 6.461 1.383 1.00 7.97 N ATOM 928 CA TYR A 59 9.882 6.280 2.706 1.00 8.45 C ATOM 929 C TYR A 59 10.746 5.203 3.337 1.00 10.98 C ATOM 930 O TYR A 59 10.513 4.792 4.490 1.00 12.95 O ATOM 931 CB TYR A 59 8.363 5.847 2.641 1.00 7.94 C ATOM 932 CG TYR A 59 7.487 6.965 2.134 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.204 8.014 2.974 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.856 6.857 0.870 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.268 9.017 2.633 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.870 7.848 0.585 1.00 6.52 C ATOM 937 CZ TYR A 59 5.562 8.899 1.464 1.00 6.76 C ATOM 938 OH TYR A 59 4.575 9.823 1.131 1.00 7.63 O ATOM 0 H TYR A 59 10.257 5.666 0.762 1.00 7.97 H new ATOM 0 HA TYR A 59 9.910 7.198 3.293 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.259 4.979 1.990 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.028 5.543 3.633 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.712 8.075 3.925 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.105 6.075 0.168 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.111 9.864 3.284 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.335 7.787 -0.351 1.00 6.52 H new ATOM 0 HH TYR A 59 4.517 9.903 0.156 1.00 7.63 H new ATOM 948 N ASN A 60 11.864 4.690 2.696 1.00 12.38 N ATOM 949 CA ASN A 60 12.798 3.709 3.350 1.00 13.94 C ATOM 950 C ASN A 60 12.118 2.357 3.681 1.00 14.16 C ATOM 951 O ASN A 60 12.506 1.740 4.679 1.00 14.26 O ATOM 952 CB ASN A 60 13.641 4.347 4.507 1.00 19.23 C ATOM 953 CG ASN A 60 14.467 5.596 4.066 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.559 5.819 2.887 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.908 6.314 5.118 1.00 24.09 N ATOM 0 H ASN A 60 12.129 4.940 1.743 1.00 12.38 H new ATOM 0 HA ASN A 60 13.549 3.441 2.607 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.971 4.633 5.318 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.321 3.595 4.906 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.404 7.192 4.964 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.746 5.980 6.068 1.00 24.09 H new ATOM 962 N ILE A 61 11.173 1.883 2.841 1.00 11.08 N ATOM 963 CA ILE A 61 10.551 0.625 3.154 1.00 11.78 C ATOM 964 C ILE A 61 11.429 -0.497 2.663 1.00 13.74 C ATOM 965 O ILE A 61 12.024 -0.373 1.577 1.00 14.60 O ATOM 966 CB ILE A 61 9.080 0.561 2.623 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.289 1.651 3.419 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.419 -0.821 2.817 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.137 2.252 2.569 1.00 11.42 C ATOM 0 H ILE A 61 10.851 2.341 1.988 1.00 11.08 H new ATOM 0 HA ILE A 61 10.459 0.515 4.235 1.00 11.78 H new ATOM 0 HB ILE A 61 9.073 0.735 1.547 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.880 1.213 4.330 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.970 2.445 3.725 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.401 -0.795 2.427 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.993 -1.577 2.282 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.395 -1.067 3.879 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.609 3.006 3.153 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.549 2.712 1.671 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.443 1.461 2.285 1.00 11.42 H new ATOM 981 N GLN A 62 11.659 -1.538 3.532 1.00 13.97 N ATOM 982 CA GLN A 62 12.595 -2.607 3.287 1.00 15.52 C ATOM 983 C GLN A 62 11.865 -3.888 2.947 1.00 13.94 C ATOM 984 O GLN A 62 10.650 -4.025 3.084 1.00 12.15 O ATOM 985 CB GLN A 62 13.451 -2.795 4.546 1.00 19.53 C ATOM 986 CG GLN A 62 14.059 -1.459 5.024 1.00 26.38 C ATOM 987 CD GLN A 62 14.912 -0.854 3.970 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.702 -1.573 3.322 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.776 0.493 3.731 1.00 32.71 N ATOM 0 H GLN A 62 11.174 -1.626 4.425 1.00 13.97 H new ATOM 0 HA GLN A 62 13.231 -2.355 2.438 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.841 -3.223 5.341 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.251 -3.506 4.340 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.260 -0.767 5.292 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.651 -1.626 5.924 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.119 1.045 4.283 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.332 0.940 3.002 1.00 32.71 H new ATOM 998 N LYS A 63 12.577 -4.924 2.498 1.00 11.73 N ATOM 999 CA LYS A 63 11.949 -6.212 2.377 1.00 11.97 C ATOM 1000 C LYS A 63 11.397 -6.881 3.661 1.00 10.41 C ATOM 1001 O LYS A 63 11.957 -6.800 4.787 1.00 9.59 O ATOM 1002 CB LYS A 63 12.849 -7.169 1.737 1.00 13.73 C ATOM 1003 CG LYS A 63 14.268 -7.376 2.381 1.00 16.98 C ATOM 1004 CD LYS A 63 15.123 -8.384 1.607 1.00 20.19 C ATOM 1005 CE LYS A 63 15.370 -7.942 0.149 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.384 -8.708 -0.426 1.00 25.97 N ATOM 0 H LYS A 63 13.559 -4.887 2.223 1.00 11.73 H new ATOM 0 HA LYS A 63 11.071 -5.971 1.778 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.347 -8.136 1.711 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.992 -6.856 0.703 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.788 -6.419 2.421 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.150 -7.718 3.409 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.080 -8.510 2.113 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.629 -9.356 1.611 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.453 -8.048 -0.430 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.643 -6.887 0.123 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.539 -8.399 -1.407 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.262 -8.586 0.118 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.108 -9.711 -0.418 1.00 25.97 H new ATOM 1020 N GLU A 64 10.259 -7.601 3.492 1.00 10.04 N ATOM 1021 CA GLU A 64 9.550 -8.497 4.397 1.00 10.94 C ATOM 1022 C GLU A 64 8.774 -7.751 5.499 1.00 9.74 C ATOM 1023 O GLU A 64 8.333 -8.347 6.504 1.00 9.42 O ATOM 1024 CB GLU A 64 10.574 -9.526 4.936 1.00 18.31 C ATOM 1025 CG GLU A 64 11.022 -10.481 3.791 1.00 24.16 C ATOM 1026 CD GLU A 64 12.151 -11.411 4.247 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.897 -12.319 5.097 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.259 -11.131 3.764 1.00 32.61 O ATOM 0 H GLU A 64 9.768 -7.549 2.600 1.00 10.04 H new ATOM 0 HA GLU A 64 8.765 -9.027 3.857 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.440 -9.008 5.348 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.130 -10.102 5.748 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.171 -11.075 3.458 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.356 -9.894 2.935 1.00 24.16 H new ATOM 1035 N SER A 65 8.643 -6.386 5.306 1.00 6.85 N ATOM 1036 CA SER A 65 7.865 -5.492 6.139 1.00 6.90 C ATOM 1037 C SER A 65 6.392 -5.338 5.866 1.00 4.72 C ATOM 1038 O SER A 65 5.913 -5.296 4.747 1.00 3.91 O ATOM 1039 CB SER A 65 8.496 -4.046 6.147 1.00 7.28 C ATOM 1040 OG SER A 65 9.832 -3.973 6.637 1.00 10.56 O ATOM 0 H SER A 65 9.104 -5.902 4.535 1.00 6.85 H new ATOM 0 HA SER A 65 7.917 -6.005 7.099 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.476 -3.652 5.131 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.867 -3.395 6.754 1.00 7.28 H new ATOM 0 HG SER A 65 10.142 -3.044 6.604 1.00 10.56 H new ATOM 1046 N THR A 66 5.610 -5.410 6.934 1.00 4.48 N ATOM 1047 CA THR A 66 4.172 -5.223 7.001 1.00 3.80 C ATOM 1048 C THR A 66 3.855 -3.745 6.729 1.00 4.60 C ATOM 1049 O THR A 66 4.304 -2.841 7.414 1.00 5.33 O ATOM 1050 CB THR A 66 3.541 -5.620 8.262 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.835 -7.007 8.511 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.056 -5.514 8.068 1.00 3.40 C ATOM 0 H THR A 66 6.001 -5.619 7.853 1.00 4.48 H new ATOM 0 HA THR A 66 3.754 -5.889 6.246 1.00 3.80 H new ATOM 0 HB THR A 66 3.896 -4.996 9.082 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.419 -7.283 9.354 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.547 -5.802 8.988 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.794 -4.486 7.815 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.746 -6.176 7.259 1.00 3.40 H new ATOM 1060 N LEU A 67 2.922 -3.507 5.811 1.00 4.17 N ATOM 1061 CA LEU A 67 2.352 -2.218 5.427 1.00 3.85 C ATOM 1062 C LEU A 67 0.855 -2.334 5.702 1.00 3.80 C ATOM 1063 O LEU A 67 0.307 -3.449 5.698 1.00 5.54 O ATOM 1064 CB LEU A 67 2.521 -1.765 3.953 1.00 7.18 C ATOM 1065 CG LEU A 67 3.994 -1.406 3.423 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.837 -2.643 3.269 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.791 -0.740 2.036 1.00 11.66 C ATOM 0 H LEU A 67 2.512 -4.271 5.274 1.00 4.17 H new ATOM 0 HA LEU A 67 2.895 -1.466 5.999 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.124 -2.555 3.316 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.892 -0.888 3.802 1.00 7.18 H new ATOM 0 HG LEU A 67 4.510 -0.754 4.128 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.828 -2.366 2.909 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.928 -3.143 4.233 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.366 -3.317 2.553 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.760 -0.469 1.617 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.289 -1.439 1.367 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.181 0.156 2.149 1.00 11.66 H new ATOM 1079 N HIS A 68 0.165 -1.243 6.074 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.207 -1.267 6.526 1.00 4.17 C ATOM 1081 C HIS A 68 -2.177 -0.840 5.453 1.00 5.32 C ATOM 1082 O HIS A 68 -2.126 0.279 4.959 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.441 -0.441 7.808 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.557 -1.024 8.888 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.792 -0.734 9.100 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.867 -2.108 9.689 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.277 -1.683 9.925 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.296 -2.493 10.316 1.00 16.30 N ATOM 0 H HIS A 68 0.568 -0.306 6.063 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.401 -2.312 6.768 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.199 0.608 7.638 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.489 -0.482 8.106 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.839 -2.566 9.801 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.311 -1.773 10.225 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.390 -3.269 10.971 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.192 -1.713 5.096 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.273 -1.327 4.197 1.00 3.97 C ATOM 1098 C LEU A 69 -5.444 -0.902 5.024 1.00 5.07 C ATOM 1099 O LEU A 69 -5.913 -1.632 5.876 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.783 -2.409 3.250 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.926 -2.098 2.312 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.678 -0.870 1.428 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.162 -3.319 1.419 1.00 9.96 C ATOM 0 H LEU A 69 -3.254 -2.674 5.432 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.845 -0.543 3.573 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.940 -2.734 2.641 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.083 -3.261 3.859 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.797 -1.867 2.926 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.540 -0.707 0.781 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.526 0.007 2.058 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.791 -1.035 0.816 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.984 -3.115 0.733 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.258 -3.532 0.848 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.412 -4.180 2.039 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.837 0.381 4.820 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.871 1.053 5.585 1.00 6.26 C ATOM 1117 C VAL A 70 -7.895 1.301 4.557 1.00 9.22 C ATOM 1118 O VAL A 70 -7.655 1.943 3.520 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.326 2.287 6.197 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.391 3.380 6.453 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.867 1.766 7.576 1.00 8.54 C ATOM 0 H VAL A 70 -5.424 0.973 4.100 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.271 0.493 6.430 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.573 2.747 5.557 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.916 4.252 6.902 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.854 3.665 5.508 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.154 2.994 7.129 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.435 2.586 8.149 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.723 1.359 8.114 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.119 0.985 7.439 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.174 0.779 4.705 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.219 1.109 3.727 1.00 16.06 C ATOM 1133 C LEU A 71 -10.740 2.513 3.838 1.00 18.09 C ATOM 1134 O LEU A 71 -10.824 3.044 4.940 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.475 0.147 3.694 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.107 -1.334 3.383 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.286 -2.265 3.196 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.238 -1.400 2.027 1.00 19.57 C ATOM 0 H LEU A 71 -9.467 0.162 5.462 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.664 0.977 2.798 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.985 0.193 4.656 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.179 0.505 2.943 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.560 -1.673 4.263 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.925 -3.271 2.984 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.886 -2.279 4.106 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.897 -1.916 2.363 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.981 -2.437 1.810 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.820 -0.990 1.202 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.325 -0.818 2.151 1.00 19.57 H new