USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 965 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 69 THR OG1 : rot 54:sc= 0.107 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.834 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 173:sc= 0.826 (180deg=0.678!) USER MOD Set 2.2: A 52 THR OG1 : rot 147:sc= 0.827 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.39 (180deg=1.16) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.0899 X(o=-0.09,f=-0.56) USER MOD Single : A 17 GLN :FLIP amide:sc=-0.00629 F(o=-1.6!,f=-0.0063) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.976 F(o=-0.1,f=0.98) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -139:sc= -0.246 (180deg=-1.07) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 30:sc= 0.745 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 0.429 K(o=0.43,f=-6.2!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -70:sc= -1.54 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.763 K(o=0.76,f=-5.1!) USER MOD Single : A 66 GLN : amide:sc= -1.36! C(o=-1.4!,f=-3.9!) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -83:sc= 1.3 USER MOD Single : A 77 GLN : amide:sc= -0.759 K(o=-0.76,f=-3.5!) USER MOD Single : A 79 GLN : amide:sc= -2.95! C(o=-3!,f=-9.4!) USER MOD Single : A 85 SER OG : rot 180:sc=-0.000554 USER MOD Single : A 89 LYS NZ :NH3+ 134:sc= 1.2 (180deg=-0.0628) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.000514 USER MOD Single : A 96 SER OG : rot -101:sc= 0.11 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 154:sc= -0.189 (180deg=-0.54) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.553 -8.728 20.733 1.00 16.25 N ATOM 2 CA MET A 1 22.397 -8.350 19.577 1.00 15.99 C ATOM 3 C MET A 1 21.762 -8.820 18.272 1.00 15.41 C ATOM 4 O MET A 1 21.068 -9.837 18.238 1.00 15.45 O ATOM 5 CB MET A 1 23.785 -8.977 19.751 1.00 16.51 C ATOM 6 CG MET A 1 24.661 -8.262 20.776 1.00 16.79 C ATOM 7 SD MET A 1 24.016 -8.394 22.461 1.00 17.24 S ATOM 8 CE MET A 1 25.145 -7.345 23.378 1.00 17.83 C ATOM 0 H1 MET A 1 22.134 -8.749 21.595 1.00 16.25 H new ATOM 0 H2 MET A 1 20.789 -8.032 20.847 1.00 16.25 H new ATOM 0 H3 MET A 1 21.142 -9.669 20.570 1.00 16.25 H new ATOM 0 HA MET A 1 22.487 -7.265 19.534 1.00 15.99 H new ATOM 0 HB2 MET A 1 23.668 -10.018 20.051 1.00 16.51 H new ATOM 0 HB3 MET A 1 24.296 -8.978 18.788 1.00 16.51 H new ATOM 0 HG2 MET A 1 25.667 -8.681 20.743 1.00 16.79 H new ATOM 0 HG3 MET A 1 24.745 -7.210 20.505 1.00 16.79 H new ATOM 0 HE1 MET A 1 24.861 -7.337 24.430 1.00 17.83 H new ATOM 0 HE2 MET A 1 26.160 -7.729 23.279 1.00 17.83 H new ATOM 0 HE3 MET A 1 25.101 -6.330 22.983 1.00 17.83 H new ATOM 20 N GLY A 2 21.989 -8.067 17.205 1.00 15.02 N ATOM 21 CA GLY A 2 21.426 -8.403 15.912 1.00 14.60 C ATOM 22 C GLY A 2 20.349 -7.421 15.509 1.00 13.81 C ATOM 23 O GLY A 2 20.276 -6.322 16.061 1.00 13.66 O ATOM 0 H GLY A 2 22.559 -7.221 17.213 1.00 15.02 H new ATOM 0 HA2 GLY A 2 22.215 -8.409 15.160 1.00 14.60 H new ATOM 0 HA3 GLY A 2 21.009 -9.410 15.945 1.00 14.60 H new ATOM 27 N ASP A 3 19.504 -7.804 14.565 1.00 13.48 N ATOM 28 CA ASP A 3 18.426 -6.930 14.118 1.00 12.89 C ATOM 29 C ASP A 3 17.314 -6.901 15.158 1.00 12.18 C ATOM 30 O ASP A 3 16.999 -5.848 15.717 1.00 12.23 O ATOM 31 CB ASP A 3 17.867 -7.401 12.774 1.00 13.20 C ATOM 32 CG ASP A 3 16.666 -6.586 12.329 1.00 13.55 C ATOM 33 OD1 ASP A 3 16.823 -5.370 12.085 1.00 13.96 O ATOM 34 OD2 ASP A 3 15.563 -7.161 12.216 1.00 13.59 O ATOM 0 H ASP A 3 19.541 -8.708 14.095 1.00 13.48 H new ATOM 0 HA ASP A 3 18.829 -5.925 13.992 1.00 12.89 H new ATOM 0 HB2 ASP A 3 18.648 -7.336 12.016 1.00 13.20 H new ATOM 0 HB3 ASP A 3 17.583 -8.451 12.850 1.00 13.20 H new ATOM 39 N THR A 4 16.738 -8.077 15.409 1.00 11.73 N ATOM 40 CA THR A 4 15.654 -8.258 16.375 1.00 11.23 C ATOM 41 C THR A 4 14.386 -7.517 15.941 1.00 10.51 C ATOM 42 O THR A 4 13.437 -8.132 15.447 1.00 10.53 O ATOM 43 CB THR A 4 16.083 -7.813 17.778 1.00 11.64 C ATOM 44 OG1 THR A 4 17.348 -8.361 18.106 1.00 12.39 O ATOM 45 CG2 THR A 4 15.109 -8.232 18.858 1.00 11.87 C ATOM 0 H THR A 4 17.014 -8.941 14.942 1.00 11.73 H new ATOM 0 HA THR A 4 15.425 -9.323 16.409 1.00 11.23 H new ATOM 0 HB THR A 4 16.118 -6.724 17.744 1.00 11.64 H new ATOM 0 HG1 THR A 4 17.609 -8.067 19.004 1.00 12.39 H new ATOM 0 HG21 THR A 4 15.470 -7.887 19.827 1.00 11.87 H new ATOM 0 HG22 THR A 4 14.132 -7.793 18.657 1.00 11.87 H new ATOM 0 HG23 THR A 4 15.023 -9.319 18.869 1.00 11.87 H new ATOM 53 N GLY A 5 14.377 -6.206 16.119 1.00 10.10 N ATOM 54 CA GLY A 5 13.234 -5.409 15.739 1.00 9.63 C ATOM 55 C GLY A 5 13.625 -3.982 15.420 1.00 9.04 C ATOM 56 O GLY A 5 13.211 -3.051 16.111 1.00 9.05 O ATOM 0 H GLY A 5 15.149 -5.677 16.524 1.00 10.10 H new ATOM 0 HA2 GLY A 5 12.751 -5.857 14.870 1.00 9.63 H new ATOM 0 HA3 GLY A 5 12.503 -5.414 16.547 1.00 9.63 H new ATOM 60 N LYS A 6 14.421 -3.803 14.377 1.00 8.78 N ATOM 61 CA LYS A 6 14.850 -2.468 13.981 1.00 8.49 C ATOM 62 C LYS A 6 13.887 -1.890 12.949 1.00 7.56 C ATOM 63 O LYS A 6 12.866 -2.503 12.621 1.00 7.43 O ATOM 64 CB LYS A 6 16.279 -2.490 13.422 1.00 9.13 C ATOM 65 CG LYS A 6 17.348 -2.803 14.464 1.00 9.99 C ATOM 66 CD LYS A 6 18.738 -2.922 13.840 1.00 10.66 C ATOM 67 CE LYS A 6 19.798 -3.269 14.882 1.00 11.46 C ATOM 68 NZ LYS A 6 21.122 -3.578 14.270 1.00 11.90 N ATOM 0 H LYS A 6 14.781 -4.558 13.793 1.00 8.78 H new ATOM 0 HA LYS A 6 14.844 -1.833 14.867 1.00 8.49 H new ATOM 0 HB2 LYS A 6 16.335 -3.231 12.625 1.00 9.13 H new ATOM 0 HB3 LYS A 6 16.497 -1.521 12.972 1.00 9.13 H new ATOM 0 HG2 LYS A 6 17.357 -2.019 15.221 1.00 9.99 H new ATOM 0 HG3 LYS A 6 17.098 -3.734 14.972 1.00 9.99 H new ATOM 0 HD2 LYS A 6 18.725 -3.689 13.066 1.00 10.66 H new ATOM 0 HD3 LYS A 6 19.000 -1.982 13.354 1.00 10.66 H new ATOM 0 HE2 LYS A 6 19.908 -2.435 15.575 1.00 11.46 H new ATOM 0 HE3 LYS A 6 19.462 -4.126 15.465 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 21.806 -3.807 15.019 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 21.027 -4.391 13.628 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 21.458 -2.752 13.735 1.00 11.90 H new ATOM 82 N LEU A 7 14.209 -0.710 12.436 1.00 7.18 N ATOM 83 CA LEU A 7 13.368 -0.055 11.442 1.00 6.55 C ATOM 84 C LEU A 7 13.751 -0.489 10.029 1.00 5.97 C ATOM 85 O LEU A 7 14.350 0.273 9.271 1.00 6.20 O ATOM 86 CB LEU A 7 13.465 1.475 11.573 1.00 7.03 C ATOM 87 CG LEU A 7 13.045 2.044 12.938 1.00 7.64 C ATOM 88 CD1 LEU A 7 13.409 3.521 13.048 1.00 8.38 C ATOM 89 CD2 LEU A 7 11.555 1.837 13.175 1.00 7.67 C ATOM 0 H LEU A 7 15.046 -0.187 12.691 1.00 7.18 H new ATOM 0 HA LEU A 7 12.337 -0.357 11.625 1.00 6.55 H new ATOM 0 HB2 LEU A 7 14.493 1.776 11.373 1.00 7.03 H new ATOM 0 HB3 LEU A 7 12.844 1.930 10.801 1.00 7.03 H new ATOM 0 HG LEU A 7 13.591 1.503 13.711 1.00 7.64 H new ATOM 0 HD11 LEU A 7 13.101 3.900 14.023 1.00 8.38 H new ATOM 0 HD12 LEU A 7 14.487 3.639 12.936 1.00 8.38 H new ATOM 0 HD13 LEU A 7 12.899 4.081 12.264 1.00 8.38 H new ATOM 0 HD21 LEU A 7 11.281 2.247 14.147 1.00 7.67 H new ATOM 0 HD22 LEU A 7 10.988 2.344 12.394 1.00 7.67 H new ATOM 0 HD23 LEU A 7 11.328 0.771 13.154 1.00 7.67 H new ATOM 101 N GLY A 8 13.399 -1.715 9.677 1.00 5.56 N ATOM 102 CA GLY A 8 13.702 -2.218 8.354 1.00 5.28 C ATOM 103 C GLY A 8 12.615 -1.836 7.379 1.00 4.37 C ATOM 104 O GLY A 8 12.881 -1.506 6.222 1.00 4.43 O ATOM 0 H GLY A 8 12.908 -2.372 10.284 1.00 5.56 H new ATOM 0 HA2 GLY A 8 14.658 -1.817 8.017 1.00 5.28 H new ATOM 0 HA3 GLY A 8 13.805 -3.303 8.386 1.00 5.28 H new ATOM 108 N ARG A 9 11.387 -1.857 7.868 1.00 3.85 N ATOM 109 CA ARG A 9 10.232 -1.492 7.070 1.00 3.14 C ATOM 110 C ARG A 9 10.079 0.021 7.092 1.00 2.98 C ATOM 111 O ARG A 9 9.340 0.571 7.911 1.00 3.23 O ATOM 112 CB ARG A 9 8.989 -2.177 7.629 1.00 2.97 C ATOM 113 CG ARG A 9 9.190 -3.665 7.845 1.00 3.11 C ATOM 114 CD ARG A 9 8.265 -4.184 8.936 1.00 3.35 C ATOM 115 NE ARG A 9 8.660 -5.499 9.454 1.00 3.78 N ATOM 116 CZ ARG A 9 8.593 -6.636 8.764 1.00 4.27 C ATOM 117 NH1 ARG A 9 7.793 -6.713 7.711 1.00 4.46 N ATOM 118 NH2 ARG A 9 8.978 -7.763 9.348 1.00 4.95 N ATOM 0 H ARG A 9 11.164 -2.127 8.826 1.00 3.85 H new ATOM 0 HA ARG A 9 10.364 -1.818 6.038 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.716 -1.710 8.575 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.155 -2.022 6.945 1.00 2.97 H new ATOM 0 HG2 ARG A 9 8.999 -4.201 6.915 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.227 -3.860 8.118 1.00 3.11 H new ATOM 0 HD2 ARG A 9 8.246 -3.468 9.758 1.00 3.35 H new ATOM 0 HD3 ARG A 9 7.250 -4.246 8.543 1.00 3.35 H new ATOM 0 HE ARG A 9 9.011 -5.545 10.411 1.00 3.78 H new ATOM 0 HH11 ARG A 9 7.235 -5.905 7.435 1.00 4.46 H new ATOM 0 HH12 ARG A 9 7.735 -7.580 7.177 1.00 4.46 H new ATOM 0 HH21 ARG A 9 9.318 -7.749 10.310 1.00 4.95 H new ATOM 0 HH22 ARG A 9 8.934 -8.644 8.836 1.00 4.95 H new ATOM 132 N ILE A 10 10.835 0.668 6.216 1.00 2.78 N ATOM 133 CA ILE A 10 10.876 2.124 6.109 1.00 2.70 C ATOM 134 C ILE A 10 9.486 2.779 6.201 1.00 2.20 C ATOM 135 O ILE A 10 9.306 3.728 6.964 1.00 2.49 O ATOM 136 CB ILE A 10 11.613 2.545 4.819 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.562 4.063 4.627 1.00 2.80 C ATOM 138 CG2 ILE A 10 11.060 1.809 3.606 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.370 4.832 5.652 1.00 3.25 C ATOM 0 H ILE A 10 11.445 0.193 5.551 1.00 2.78 H new ATOM 0 HA ILE A 10 11.433 2.491 6.971 1.00 2.70 H new ATOM 0 HB ILE A 10 12.661 2.263 4.923 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.929 4.307 3.630 1.00 2.80 H new ATOM 0 HG13 ILE A 10 10.524 4.392 4.674 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.598 2.125 2.712 1.00 2.55 H new ATOM 0 HG22 ILE A 10 11.185 0.735 3.744 1.00 2.55 H new ATOM 0 HG23 ILE A 10 10.001 2.039 3.493 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.287 5.901 5.453 1.00 3.25 H new ATOM 0 HD12 ILE A 10 11.989 4.618 6.651 1.00 3.25 H new ATOM 0 HD13 ILE A 10 13.416 4.532 5.590 1.00 3.25 H new ATOM 151 N ILE A 11 8.498 2.254 5.478 1.00 1.98 N ATOM 152 CA ILE A 11 7.146 2.796 5.567 1.00 1.56 C ATOM 153 C ILE A 11 6.293 1.847 6.415 1.00 1.31 C ATOM 154 O ILE A 11 6.393 1.869 7.642 1.00 1.71 O ATOM 155 CB ILE A 11 6.483 3.034 4.183 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.341 3.956 3.315 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.089 3.640 4.332 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.682 4.324 1.997 1.00 2.05 C ATOM 0 H ILE A 11 8.605 1.469 4.836 1.00 1.98 H new ATOM 0 HA ILE A 11 7.213 3.778 6.035 1.00 1.56 H new ATOM 0 HB ILE A 11 6.397 2.061 3.699 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.560 4.868 3.871 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.295 3.469 3.113 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.652 3.794 3.345 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.457 2.963 4.907 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.161 4.596 4.850 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.343 4.979 1.430 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.488 3.419 1.422 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.741 4.839 2.192 1.00 2.05 H new ATOM 170 N ARG A 12 5.477 1.004 5.771 1.00 0.96 N ATOM 171 CA ARG A 12 4.629 0.047 6.489 1.00 1.02 C ATOM 172 C ARG A 12 4.263 -1.155 5.628 1.00 0.77 C ATOM 173 O ARG A 12 4.615 -1.231 4.451 1.00 0.91 O ATOM 174 CB ARG A 12 3.332 0.709 6.968 1.00 1.53 C ATOM 175 CG ARG A 12 3.533 1.638 8.153 1.00 2.10 C ATOM 176 CD ARG A 12 2.262 2.364 8.539 1.00 2.67 C ATOM 177 NE ARG A 12 2.455 3.199 9.726 1.00 3.29 N ATOM 178 CZ ARG A 12 2.674 2.731 10.954 1.00 3.98 C ATOM 179 NH1 ARG A 12 2.373 1.472 11.246 1.00 4.30 N ATOM 180 NH2 ARG A 12 2.895 3.588 11.948 1.00 4.72 N ATOM 0 H ARG A 12 5.387 0.966 4.756 1.00 0.96 H new ATOM 0 HA ARG A 12 5.214 -0.293 7.344 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.894 1.272 6.144 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.616 -0.066 7.240 1.00 1.53 H new ATOM 0 HG2 ARG A 12 3.893 1.062 9.006 1.00 2.10 H new ATOM 0 HG3 ARG A 12 4.306 2.368 7.912 1.00 2.10 H new ATOM 0 HD2 ARG A 12 1.931 2.985 7.707 1.00 2.67 H new ATOM 0 HD3 ARG A 12 1.472 1.638 8.729 1.00 2.67 H new ATOM 0 HE ARG A 12 2.419 4.211 9.604 1.00 3.29 H new ATOM 0 HH11 ARG A 12 1.974 0.864 10.531 1.00 4.30 H new ATOM 0 HH12 ARG A 12 2.540 1.112 12.186 1.00 4.30 H new ATOM 0 HH21 ARG A 12 2.895 4.592 11.766 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.064 3.241 12.892 1.00 4.72 H new ATOM 194 N HIS A 13 3.529 -2.081 6.236 1.00 0.70 N ATOM 195 CA HIS A 13 3.068 -3.283 5.553 1.00 0.68 C ATOM 196 C HIS A 13 1.846 -3.855 6.274 1.00 0.74 C ATOM 197 O HIS A 13 1.840 -3.967 7.504 1.00 1.04 O ATOM 198 CB HIS A 13 4.191 -4.337 5.464 1.00 0.93 C ATOM 199 CG HIS A 13 4.347 -5.215 6.677 1.00 1.07 C ATOM 200 ND1 HIS A 13 4.710 -4.747 7.925 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.173 -6.552 6.820 1.00 1.46 C ATOM 202 CE1 HIS A 13 4.754 -5.757 8.775 1.00 1.98 C ATOM 203 NE2 HIS A 13 4.432 -6.858 8.130 1.00 1.80 N ATOM 0 H HIS A 13 3.238 -2.020 7.212 1.00 0.70 H new ATOM 0 HA HIS A 13 2.785 -3.015 4.535 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.003 -4.972 4.598 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.135 -3.823 5.284 1.00 0.93 H new ATOM 0 HD2 HIS A 13 3.884 -7.247 6.045 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.011 -5.691 9.822 1.00 1.98 H new ATOM 0 HE2 HIS A 13 4.383 -7.791 8.540 1.00 1.80 H new ATOM 212 N ASP A 14 0.819 -4.216 5.522 1.00 0.60 N ATOM 213 CA ASP A 14 -0.384 -4.781 6.120 1.00 0.69 C ATOM 214 C ASP A 14 -1.090 -5.697 5.128 1.00 0.61 C ATOM 215 O ASP A 14 -0.844 -5.639 3.922 1.00 0.86 O ATOM 216 CB ASP A 14 -1.345 -3.685 6.593 1.00 0.83 C ATOM 217 CG ASP A 14 -2.315 -4.199 7.649 1.00 1.31 C ATOM 218 OD1 ASP A 14 -2.106 -5.330 8.151 1.00 1.78 O ATOM 219 OD2 ASP A 14 -3.273 -3.483 7.993 1.00 2.03 O ATOM 0 H ASP A 14 0.791 -4.130 4.506 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.078 -5.361 6.990 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.773 -2.851 7.000 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.906 -3.301 5.741 1.00 0.83 H new ATOM 224 N ALA A 15 -1.959 -6.536 5.647 1.00 0.75 N ATOM 225 CA ALA A 15 -2.710 -7.472 4.835 1.00 0.71 C ATOM 226 C ALA A 15 -4.163 -7.038 4.744 1.00 0.68 C ATOM 227 O ALA A 15 -4.976 -7.367 5.601 1.00 0.88 O ATOM 228 CB ALA A 15 -2.593 -8.871 5.415 1.00 0.84 C ATOM 0 H ALA A 15 -2.166 -6.590 6.644 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.297 -7.484 3.826 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.160 -9.569 4.799 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.545 -9.171 5.432 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -2.989 -8.878 6.430 1.00 0.84 H new ATOM 234 N PHE A 16 -4.480 -6.288 3.704 1.00 0.60 N ATOM 235 CA PHE A 16 -5.834 -5.803 3.509 1.00 0.67 C ATOM 236 C PHE A 16 -6.641 -6.784 2.677 1.00 0.68 C ATOM 237 O PHE A 16 -6.096 -7.510 1.851 1.00 1.00 O ATOM 238 CB PHE A 16 -5.842 -4.432 2.822 1.00 0.77 C ATOM 239 CG PHE A 16 -5.243 -3.316 3.636 1.00 1.09 C ATOM 240 CD1 PHE A 16 -3.878 -3.229 3.832 1.00 1.83 C ATOM 241 CD2 PHE A 16 -6.058 -2.349 4.199 1.00 1.74 C ATOM 242 CE1 PHE A 16 -3.336 -2.195 4.572 1.00 2.36 C ATOM 243 CE2 PHE A 16 -5.524 -1.316 4.942 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.160 -1.239 5.129 1.00 2.35 C ATOM 0 H PHE A 16 -3.819 -6.002 2.982 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.288 -5.704 4.495 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.298 -4.509 1.881 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.871 -4.171 2.575 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -3.228 -3.977 3.402 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -7.127 -2.404 4.055 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -2.267 -2.135 4.714 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -6.173 -0.570 5.376 1.00 2.26 H new ATOM 0 HZ PHE A 16 -3.738 -0.432 5.710 1.00 2.35 H new ATOM 254 N GLN A 17 -7.940 -6.780 2.887 1.00 0.59 N ATOM 255 CA GLN A 17 -8.840 -7.643 2.149 1.00 0.60 C ATOM 256 C GLN A 17 -10.067 -6.820 1.785 1.00 0.64 C ATOM 257 O GLN A 17 -11.107 -6.892 2.433 1.00 0.95 O ATOM 258 CB GLN A 17 -9.199 -8.870 2.985 1.00 0.74 C ATOM 259 CG GLN A 17 -9.803 -10.003 2.178 1.00 1.07 C ATOM 260 CD GLN A 17 -9.892 -11.292 2.970 1.00 1.26 C ATOM 261 OE1 GLN A 17 -9.483 -11.246 4.227 1.00 1.81 O flip ATOM 262 NE2 GLN A 17 -10.332 -12.323 2.456 1.00 1.63 N flip ATOM 0 H GLN A 17 -8.402 -6.181 3.571 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.371 -8.015 1.238 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.302 -9.232 3.487 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -9.903 -8.575 3.763 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -10.800 -9.716 1.843 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.202 -10.170 1.284 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.638 -12.317 1.483 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.390 -13.181 3.004 1.00 1.63 H new ATOM 271 N VAL A 18 -9.877 -5.968 0.794 1.00 0.51 N ATOM 272 CA VAL A 18 -10.890 -5.026 0.355 1.00 0.59 C ATOM 273 C VAL A 18 -10.932 -4.919 -1.174 1.00 0.60 C ATOM 274 O VAL A 18 -9.937 -5.180 -1.851 1.00 1.04 O ATOM 275 CB VAL A 18 -10.550 -3.662 0.987 1.00 0.83 C ATOM 276 CG1 VAL A 18 -9.088 -3.347 0.728 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.453 -2.549 0.485 1.00 1.24 C ATOM 0 H VAL A 18 -9.006 -5.910 0.266 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.877 -5.365 0.670 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.724 -3.727 2.061 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -8.839 -2.383 1.172 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.464 -4.123 1.172 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -8.909 -3.308 -0.346 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -11.172 -1.610 0.961 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -11.347 -2.454 -0.596 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -12.489 -2.783 0.729 1.00 1.24 H new ATOM 287 N TRP A 19 -12.114 -4.577 -1.679 1.00 0.63 N ATOM 288 CA TRP A 19 -12.411 -4.435 -3.106 1.00 0.65 C ATOM 289 C TRP A 19 -11.241 -3.877 -3.925 1.00 0.68 C ATOM 290 O TRP A 19 -10.580 -2.913 -3.533 1.00 1.04 O ATOM 291 CB TRP A 19 -13.623 -3.520 -3.238 1.00 0.72 C ATOM 292 CG TRP A 19 -14.783 -3.961 -2.389 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.689 -4.936 -2.680 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.133 -3.467 -1.088 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.604 -5.049 -1.664 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.283 -4.162 -0.674 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.593 -2.501 -0.243 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.904 -3.916 0.546 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.205 -2.261 0.970 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.352 -2.963 1.354 1.00 0.96 C ATOM 0 H TRP A 19 -12.922 -4.384 -1.087 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.607 -5.428 -3.511 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.339 -2.506 -2.958 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -13.935 -3.487 -4.282 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.687 -5.533 -3.580 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.396 -5.691 -1.649 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.711 -1.949 -0.532 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.789 -4.458 0.843 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.791 -1.518 1.635 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.810 -2.747 2.308 1.00 0.96 H new ATOM 311 N GLU A 20 -11.009 -4.493 -5.079 1.00 0.69 N ATOM 312 CA GLU A 20 -9.933 -4.089 -5.985 1.00 0.77 C ATOM 313 C GLU A 20 -10.452 -3.025 -6.948 1.00 1.18 C ATOM 314 O GLU A 20 -9.960 -2.836 -8.058 1.00 1.81 O ATOM 315 CB GLU A 20 -9.429 -5.328 -6.739 1.00 1.04 C ATOM 316 CG GLU A 20 -8.201 -5.104 -7.608 1.00 1.26 C ATOM 317 CD GLU A 20 -7.783 -6.366 -8.334 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.194 -7.262 -7.695 1.00 2.42 O ATOM 319 OE2 GLU A 20 -8.076 -6.490 -9.532 1.00 2.62 O ATOM 0 H GLU A 20 -11.558 -5.284 -5.415 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.102 -3.660 -5.425 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.202 -6.108 -6.012 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -10.236 -5.703 -7.368 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.410 -4.319 -8.335 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.377 -4.753 -6.987 1.00 1.26 H new ATOM 326 N GLY A 21 -11.476 -2.348 -6.488 1.00 1.49 N ATOM 327 CA GLY A 21 -12.118 -1.320 -7.266 1.00 1.95 C ATOM 328 C GLY A 21 -13.611 -1.556 -7.297 1.00 2.05 C ATOM 329 O GLY A 21 -14.226 -1.744 -6.247 1.00 2.48 O ATOM 0 H GLY A 21 -11.886 -2.495 -5.566 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -11.905 -0.341 -6.838 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.720 -1.318 -8.281 1.00 1.95 H new ATOM 333 N ASP A 22 -14.191 -1.598 -8.488 1.00 2.34 N ATOM 334 CA ASP A 22 -15.622 -1.860 -8.630 1.00 2.75 C ATOM 335 C ASP A 22 -15.870 -3.362 -8.760 1.00 2.43 C ATOM 336 O ASP A 22 -16.976 -3.802 -9.073 1.00 2.85 O ATOM 337 CB ASP A 22 -16.223 -1.117 -9.834 1.00 3.62 C ATOM 338 CG ASP A 22 -15.612 -1.499 -11.173 1.00 4.19 C ATOM 339 OD1 ASP A 22 -14.672 -2.321 -11.215 1.00 4.60 O ATOM 340 OD2 ASP A 22 -16.065 -0.960 -12.199 1.00 4.65 O ATOM 0 H ASP A 22 -13.697 -1.455 -9.369 1.00 2.34 H new ATOM 0 HA ASP A 22 -16.117 -1.487 -7.733 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -17.295 -1.312 -9.868 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -16.098 -0.045 -9.684 1.00 3.62 H new ATOM 345 N GLU A 23 -14.830 -4.138 -8.496 1.00 2.07 N ATOM 346 CA GLU A 23 -14.910 -5.590 -8.557 1.00 2.37 C ATOM 347 C GLU A 23 -15.056 -6.163 -7.150 1.00 1.70 C ATOM 348 O GLU A 23 -14.803 -5.454 -6.174 1.00 1.86 O ATOM 349 CB GLU A 23 -13.650 -6.157 -9.219 1.00 3.34 C ATOM 350 CG GLU A 23 -13.470 -5.721 -10.661 1.00 4.22 C ATOM 351 CD GLU A 23 -12.339 -6.439 -11.362 1.00 5.12 C ATOM 352 OE1 GLU A 23 -11.731 -7.344 -10.753 1.00 5.52 O ATOM 353 OE2 GLU A 23 -12.071 -6.119 -12.538 1.00 5.78 O ATOM 0 H GLU A 23 -13.911 -3.782 -8.235 1.00 2.07 H new ATOM 0 HA GLU A 23 -15.781 -5.871 -9.149 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -12.777 -5.848 -8.644 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -13.688 -7.246 -9.180 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -14.397 -5.898 -11.206 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -13.283 -4.647 -10.689 1.00 4.22 H new ATOM 360 N PRO A 24 -15.460 -7.447 -7.022 1.00 1.42 N ATOM 361 CA PRO A 24 -15.616 -8.097 -5.716 1.00 1.17 C ATOM 362 C PRO A 24 -14.374 -7.930 -4.835 1.00 0.97 C ATOM 363 O PRO A 24 -13.265 -7.731 -5.340 1.00 1.08 O ATOM 364 CB PRO A 24 -15.816 -9.572 -6.064 1.00 1.65 C ATOM 365 CG PRO A 24 -16.349 -9.580 -7.451 1.00 2.09 C ATOM 366 CD PRO A 24 -15.795 -8.358 -8.134 1.00 2.00 C ATOM 0 HA PRO A 24 -16.439 -7.665 -5.148 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.877 -10.122 -6.001 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -16.511 -10.048 -5.373 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -16.048 -10.487 -7.976 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -17.439 -9.561 -7.447 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -14.915 -8.599 -8.731 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -16.526 -7.912 -8.809 1.00 2.00 H new ATOM 374 N PRO A 25 -14.541 -8.009 -3.507 1.00 0.88 N ATOM 375 CA PRO A 25 -13.431 -7.862 -2.566 1.00 0.77 C ATOM 376 C PRO A 25 -12.381 -8.950 -2.729 1.00 0.74 C ATOM 377 O PRO A 25 -12.700 -10.137 -2.819 1.00 0.92 O ATOM 378 CB PRO A 25 -14.092 -7.967 -1.192 1.00 0.92 C ATOM 379 CG PRO A 25 -15.392 -8.652 -1.436 1.00 1.08 C ATOM 380 CD PRO A 25 -15.819 -8.251 -2.819 1.00 1.09 C ATOM 0 HA PRO A 25 -12.899 -6.923 -2.724 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.472 -8.535 -0.499 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.243 -6.982 -0.751 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.283 -9.734 -1.360 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.135 -8.353 -0.696 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -16.396 -9.037 -3.306 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -16.444 -7.358 -2.805 1.00 1.09 H new ATOM 388 N LYS A 26 -11.126 -8.539 -2.777 1.00 0.65 N ATOM 389 CA LYS A 26 -10.025 -9.474 -2.940 1.00 0.73 C ATOM 390 C LYS A 26 -8.933 -9.183 -1.927 1.00 0.66 C ATOM 391 O LYS A 26 -8.736 -8.034 -1.531 1.00 0.88 O ATOM 392 CB LYS A 26 -9.429 -9.368 -4.343 1.00 0.95 C ATOM 393 CG LYS A 26 -10.448 -9.288 -5.462 1.00 1.34 C ATOM 394 CD LYS A 26 -9.762 -9.085 -6.799 1.00 1.42 C ATOM 395 CE LYS A 26 -10.755 -8.784 -7.906 1.00 1.61 C ATOM 396 NZ LYS A 26 -10.073 -8.562 -9.210 1.00 2.20 N ATOM 0 H LYS A 26 -10.843 -7.562 -2.705 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.417 -10.480 -2.786 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.793 -8.484 -4.386 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.787 -10.232 -4.516 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -11.040 -10.203 -5.487 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -11.139 -8.466 -5.274 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -9.048 -8.265 -6.720 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -9.194 -9.979 -7.055 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -11.458 -9.611 -7.999 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -11.336 -7.900 -7.644 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -10.784 -8.477 -9.964 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -9.511 -7.688 -9.164 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -9.446 -9.366 -9.415 1.00 2.20 H new ATOM 410 N LEU A 27 -8.223 -10.223 -1.526 1.00 0.67 N ATOM 411 CA LEU A 27 -7.133 -10.093 -0.568 1.00 0.65 C ATOM 412 C LEU A 27 -5.938 -9.399 -1.230 1.00 0.67 C ATOM 413 O LEU A 27 -5.597 -9.704 -2.368 1.00 1.02 O ATOM 414 CB LEU A 27 -6.736 -11.487 -0.051 1.00 0.76 C ATOM 415 CG LEU A 27 -5.655 -11.521 1.035 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.127 -10.823 2.302 1.00 1.31 C ATOM 417 CD2 LEU A 27 -5.273 -12.956 1.351 1.00 1.23 C ATOM 0 H LEU A 27 -8.382 -11.177 -1.851 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.458 -9.485 0.277 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.629 -11.976 0.339 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.391 -12.081 -0.897 1.00 0.76 H new ATOM 0 HG LEU A 27 -4.782 -10.990 0.655 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.339 -10.863 3.054 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -6.362 -9.783 2.078 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.018 -11.323 2.682 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -4.504 -12.966 2.124 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -6.151 -13.497 1.705 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -4.889 -13.437 0.451 1.00 1.23 H new ATOM 429 N ARG A 28 -5.317 -8.456 -0.532 1.00 0.57 N ATOM 430 CA ARG A 28 -4.174 -7.738 -1.086 1.00 0.59 C ATOM 431 C ARG A 28 -3.242 -7.222 -0.006 1.00 0.55 C ATOM 432 O ARG A 28 -3.599 -6.343 0.781 1.00 0.64 O ATOM 433 CB ARG A 28 -4.630 -6.590 -1.984 1.00 0.71 C ATOM 434 CG ARG A 28 -5.830 -5.818 -1.462 1.00 1.41 C ATOM 435 CD ARG A 28 -6.678 -5.276 -2.605 1.00 1.72 C ATOM 436 NE ARG A 28 -7.147 -6.344 -3.495 1.00 1.97 N ATOM 437 CZ ARG A 28 -6.432 -6.832 -4.511 1.00 2.42 C ATOM 438 NH1 ARG A 28 -5.523 -6.058 -5.083 1.00 2.77 N ATOM 439 NH2 ARG A 28 -6.883 -7.876 -5.190 1.00 3.18 N ATOM 0 H ARG A 28 -5.582 -8.172 0.411 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.615 -8.455 -1.688 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -3.799 -5.898 -2.117 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.872 -6.990 -2.969 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -6.437 -6.468 -0.832 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -5.490 -4.993 -0.835 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -7.536 -4.740 -2.198 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -6.095 -4.555 -3.179 1.00 1.72 H new ATOM 0 HE ARG A 28 -8.073 -6.736 -3.328 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -5.379 -5.106 -4.746 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -4.967 -6.413 -5.861 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -7.773 -8.304 -4.936 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -6.340 -8.252 -5.967 1.00 3.18 H new ATOM 453 N TYR A 29 -2.035 -7.760 0.016 1.00 0.55 N ATOM 454 CA TYR A 29 -1.039 -7.337 0.988 1.00 0.59 C ATOM 455 C TYR A 29 -0.372 -6.065 0.490 1.00 0.55 C ATOM 456 O TYR A 29 0.275 -6.067 -0.557 1.00 0.70 O ATOM 457 CB TYR A 29 0.015 -8.425 1.226 1.00 0.71 C ATOM 458 CG TYR A 29 -0.495 -9.672 1.915 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.848 -9.990 1.935 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.388 -10.542 2.535 1.00 1.38 C ATOM 461 CE1 TYR A 29 -2.304 -11.134 2.554 1.00 1.63 C ATOM 462 CE2 TYR A 29 -0.060 -11.689 3.156 1.00 1.55 C ATOM 463 CZ TYR A 29 -1.406 -11.980 3.161 1.00 1.26 C ATOM 464 OH TYR A 29 -1.852 -13.124 3.778 1.00 1.58 O ATOM 0 H TYR A 29 -1.721 -8.488 -0.625 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.538 -7.152 1.939 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.445 -8.709 0.265 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.822 -8.002 1.824 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.555 -9.328 1.457 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.445 -10.318 2.532 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -3.359 -11.364 2.562 1.00 1.63 H new ATOM 0 HE2 TYR A 29 0.641 -12.356 3.636 1.00 1.55 H new ATOM 0 HH TYR A 29 -1.090 -13.610 4.156 1.00 1.58 H new ATOM 474 N VAL A 30 -0.562 -4.984 1.224 1.00 0.48 N ATOM 475 CA VAL A 30 -0.001 -3.701 0.841 1.00 0.48 C ATOM 476 C VAL A 30 1.323 -3.437 1.552 1.00 0.49 C ATOM 477 O VAL A 30 1.380 -3.327 2.780 1.00 0.59 O ATOM 478 CB VAL A 30 -0.984 -2.543 1.119 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.449 -1.241 0.547 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.351 -2.851 0.525 1.00 0.65 C ATOM 0 H VAL A 30 -1.101 -4.969 2.090 1.00 0.48 H new ATOM 0 HA VAL A 30 0.182 -3.747 -0.232 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.087 -2.434 2.199 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.155 -0.436 0.752 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.511 -1.008 1.008 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.319 -1.343 -0.530 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.031 -2.025 0.730 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.258 -2.985 -0.553 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.744 -3.764 0.972 1.00 0.65 H new ATOM 490 N PHE A 31 2.379 -3.317 0.760 1.00 0.49 N ATOM 491 CA PHE A 31 3.712 -3.034 1.266 1.00 0.54 C ATOM 492 C PHE A 31 4.210 -1.751 0.624 1.00 0.52 C ATOM 493 O PHE A 31 4.448 -1.713 -0.581 1.00 0.56 O ATOM 494 CB PHE A 31 4.713 -4.159 0.935 1.00 0.61 C ATOM 495 CG PHE A 31 4.216 -5.543 1.217 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.336 -6.087 2.482 1.00 1.44 C ATOM 497 CD2 PHE A 31 3.616 -6.287 0.219 1.00 1.22 C ATOM 498 CE1 PHE A 31 3.865 -7.356 2.747 1.00 1.49 C ATOM 499 CE2 PHE A 31 3.141 -7.553 0.476 1.00 1.30 C ATOM 500 CZ PHE A 31 3.266 -8.092 1.744 1.00 0.85 C ATOM 0 H PHE A 31 2.334 -3.414 -0.254 1.00 0.49 H new ATOM 0 HA PHE A 31 3.646 -2.947 2.350 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.979 -4.091 -0.120 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.627 -3.993 1.505 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.802 -5.514 3.269 1.00 1.44 H new ATOM 0 HD2 PHE A 31 3.519 -5.871 -0.773 1.00 1.22 H new ATOM 0 HE1 PHE A 31 3.965 -7.774 3.738 1.00 1.49 H new ATOM 0 HE2 PHE A 31 2.671 -8.125 -0.311 1.00 1.30 H new ATOM 0 HZ PHE A 31 2.896 -9.086 1.949 1.00 0.85 H new ATOM 510 N LEU A 32 4.421 -0.716 1.405 1.00 0.57 N ATOM 511 CA LEU A 32 4.948 0.521 0.867 1.00 0.59 C ATOM 512 C LEU A 32 6.346 0.685 1.416 1.00 0.67 C ATOM 513 O LEU A 32 6.552 0.597 2.628 1.00 0.84 O ATOM 514 CB LEU A 32 4.085 1.736 1.233 1.00 0.74 C ATOM 515 CG LEU A 32 2.812 1.445 2.022 1.00 0.98 C ATOM 516 CD1 LEU A 32 3.125 1.269 3.492 1.00 1.43 C ATOM 517 CD2 LEU A 32 1.829 2.584 1.824 1.00 1.10 C ATOM 0 H LEU A 32 4.238 -0.704 2.408 1.00 0.57 H new ATOM 0 HA LEU A 32 4.949 0.469 -0.222 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.696 2.428 1.812 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.808 2.249 0.312 1.00 0.74 H new ATOM 0 HG LEU A 32 2.370 0.518 1.658 1.00 0.98 H new ATOM 0 HD11 LEU A 32 2.204 1.062 4.038 1.00 1.43 H new ATOM 0 HD12 LEU A 32 3.817 0.437 3.620 1.00 1.43 H new ATOM 0 HD13 LEU A 32 3.579 2.181 3.879 1.00 1.43 H new ATOM 0 HD21 LEU A 32 0.918 2.380 2.386 1.00 1.10 H new ATOM 0 HD22 LEU A 32 2.274 3.514 2.178 1.00 1.10 H new ATOM 0 HD23 LEU A 32 1.589 2.677 0.765 1.00 1.10 H new ATOM 529 N PHE A 33 7.318 0.892 0.547 1.00 0.75 N ATOM 530 CA PHE A 33 8.687 1.033 0.999 1.00 0.96 C ATOM 531 C PHE A 33 9.377 2.206 0.336 1.00 1.08 C ATOM 532 O PHE A 33 9.664 2.195 -0.862 1.00 1.56 O ATOM 533 CB PHE A 33 9.497 -0.252 0.785 1.00 1.17 C ATOM 534 CG PHE A 33 9.084 -1.393 1.677 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.020 -2.203 1.326 1.00 1.79 C ATOM 536 CD2 PHE A 33 9.755 -1.656 2.866 1.00 2.01 C ATOM 537 CE1 PHE A 33 7.631 -3.251 2.133 1.00 2.06 C ATOM 538 CE2 PHE A 33 9.367 -2.704 3.679 1.00 2.28 C ATOM 539 CZ PHE A 33 8.303 -3.502 3.310 1.00 2.01 C ATOM 0 H PHE A 33 7.187 0.965 -0.462 1.00 0.75 H new ATOM 0 HA PHE A 33 8.640 1.226 2.071 1.00 0.96 H new ATOM 0 HB2 PHE A 33 9.397 -0.563 -0.255 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.552 -0.036 0.953 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.486 -2.012 0.407 1.00 1.79 H new ATOM 0 HD2 PHE A 33 10.589 -1.034 3.157 1.00 2.01 H new ATOM 0 HE1 PHE A 33 6.799 -3.876 1.843 1.00 2.06 H new ATOM 0 HE2 PHE A 33 9.895 -2.898 4.601 1.00 2.28 H new ATOM 0 HZ PHE A 33 7.997 -4.322 3.943 1.00 2.01 H new ATOM 549 N ARG A 34 9.653 3.193 1.166 1.00 1.04 N ATOM 550 CA ARG A 34 10.343 4.413 0.793 1.00 1.17 C ATOM 551 C ARG A 34 9.589 5.259 -0.229 1.00 1.03 C ATOM 552 O ARG A 34 8.684 6.011 0.127 1.00 1.87 O ATOM 553 CB ARG A 34 11.757 4.105 0.306 1.00 1.83 C ATOM 554 CG ARG A 34 12.669 5.316 0.327 1.00 2.51 C ATOM 555 CD ARG A 34 14.112 4.917 0.589 1.00 3.05 C ATOM 556 NE ARG A 34 14.987 6.076 0.776 1.00 3.66 N ATOM 557 CZ ARG A 34 14.857 6.965 1.763 1.00 4.29 C ATOM 558 NH1 ARG A 34 13.991 6.748 2.749 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.696 7.986 1.845 1.00 5.12 N ATOM 0 H ARG A 34 9.394 3.167 2.152 1.00 1.04 H new ATOM 0 HA ARG A 34 10.397 5.018 1.698 1.00 1.17 H new ATOM 0 HB2 ARG A 34 12.188 3.322 0.930 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.708 3.712 -0.709 1.00 1.83 H new ATOM 0 HG2 ARG A 34 12.602 5.841 -0.626 1.00 2.51 H new ATOM 0 HG3 ARG A 34 12.336 6.011 1.098 1.00 2.51 H new ATOM 0 HD2 ARG A 34 14.156 4.285 1.476 1.00 3.05 H new ATOM 0 HD3 ARG A 34 14.478 4.320 -0.246 1.00 3.05 H new ATOM 0 HE ARG A 34 15.746 6.213 0.108 1.00 3.66 H new ATOM 0 HH11 ARG A 34 13.424 5.900 2.752 1.00 4.48 H new ATOM 0 HH12 ARG A 34 13.894 7.429 3.502 1.00 4.48 H new ATOM 0 HH21 ARG A 34 16.440 8.092 1.155 1.00 5.12 H new ATOM 0 HH22 ARG A 34 15.599 8.667 2.598 1.00 5.12 H new ATOM 573 N ASN A 35 9.996 5.198 -1.483 1.00 0.98 N ATOM 574 CA ASN A 35 9.384 6.038 -2.496 1.00 1.38 C ATOM 575 C ASN A 35 8.432 5.281 -3.413 1.00 1.09 C ATOM 576 O ASN A 35 8.511 5.421 -4.636 1.00 1.24 O ATOM 577 CB ASN A 35 10.482 6.720 -3.319 1.00 2.08 C ATOM 578 CG ASN A 35 10.028 8.018 -3.968 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.611 9.119 -3.531 1.00 3.26 O flip ATOM 580 ND2 ASN A 35 9.171 8.032 -4.851 1.00 3.64 N flip ATOM 0 H ASN A 35 10.737 4.585 -1.822 1.00 0.98 H new ATOM 0 HA ASN A 35 8.779 6.781 -1.976 1.00 1.38 H new ATOM 0 HB2 ASN A 35 11.337 6.924 -2.674 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.824 6.034 -4.094 1.00 2.08 H new ATOM 0 HD21 ASN A 35 8.744 7.159 -5.161 1.00 3.64 H new ATOM 0 HD22 ASN A 35 8.888 8.916 -5.273 1.00 3.64 H new ATOM 587 N LYS A 36 7.510 4.506 -2.839 1.00 0.89 N ATOM 588 CA LYS A 36 6.521 3.781 -3.634 1.00 0.69 C ATOM 589 C LYS A 36 5.634 2.920 -2.746 1.00 0.66 C ATOM 590 O LYS A 36 5.988 2.597 -1.610 1.00 0.77 O ATOM 591 CB LYS A 36 7.172 2.903 -4.712 1.00 0.80 C ATOM 592 CG LYS A 36 7.921 1.695 -4.166 1.00 1.05 C ATOM 593 CD LYS A 36 8.321 0.738 -5.281 1.00 1.32 C ATOM 594 CE LYS A 36 9.163 -0.413 -4.752 1.00 1.84 C ATOM 595 NZ LYS A 36 9.834 -1.165 -5.850 1.00 2.23 N ATOM 0 H LYS A 36 7.429 4.366 -1.832 1.00 0.89 H new ATOM 0 HA LYS A 36 5.912 4.535 -4.134 1.00 0.69 H new ATOM 0 HB2 LYS A 36 6.399 2.557 -5.398 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.864 3.513 -5.292 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.812 2.028 -3.633 1.00 1.05 H new ATOM 0 HG3 LYS A 36 7.294 1.172 -3.444 1.00 1.05 H new ATOM 0 HD2 LYS A 36 7.426 0.344 -5.762 1.00 1.32 H new ATOM 0 HD3 LYS A 36 8.881 1.280 -6.043 1.00 1.32 H new ATOM 0 HE2 LYS A 36 9.916 -0.026 -4.065 1.00 1.84 H new ATOM 0 HE3 LYS A 36 8.530 -1.093 -4.181 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 10.397 -1.940 -5.446 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 9.116 -1.557 -6.492 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 10.458 -0.523 -6.379 1.00 2.23 H new ATOM 609 N ILE A 37 4.488 2.528 -3.297 1.00 0.61 N ATOM 610 CA ILE A 37 3.535 1.671 -2.605 1.00 0.60 C ATOM 611 C ILE A 37 3.308 0.421 -3.455 1.00 0.54 C ATOM 612 O ILE A 37 3.195 0.515 -4.677 1.00 0.75 O ATOM 613 CB ILE A 37 2.168 2.362 -2.381 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.337 3.686 -1.624 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.233 1.429 -1.621 1.00 0.79 C ATOM 616 CD1 ILE A 37 1.026 4.343 -1.242 1.00 1.01 C ATOM 0 H ILE A 37 4.196 2.797 -4.237 1.00 0.61 H new ATOM 0 HA ILE A 37 3.951 1.431 -1.627 1.00 0.60 H new ATOM 0 HB ILE A 37 1.732 2.587 -3.354 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.919 3.505 -0.720 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.912 4.376 -2.241 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.273 1.922 -1.467 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.084 0.516 -2.197 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.673 1.181 -0.655 1.00 0.79 H new ATOM 0 HD11 ILE A 37 1.227 5.273 -0.710 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.450 4.556 -2.142 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.457 3.672 -0.598 1.00 1.01 H new ATOM 628 N MET A 38 3.256 -0.737 -2.827 1.00 0.51 N ATOM 629 CA MET A 38 3.052 -1.990 -3.544 1.00 0.59 C ATOM 630 C MET A 38 1.973 -2.815 -2.873 1.00 0.60 C ATOM 631 O MET A 38 1.750 -2.690 -1.676 1.00 0.98 O ATOM 632 CB MET A 38 4.349 -2.798 -3.575 1.00 0.75 C ATOM 633 CG MET A 38 5.476 -2.113 -4.323 1.00 1.40 C ATOM 634 SD MET A 38 7.039 -2.997 -4.178 1.00 1.72 S ATOM 635 CE MET A 38 7.305 -2.919 -2.406 1.00 2.53 C ATOM 0 H MET A 38 3.352 -0.841 -1.817 1.00 0.51 H new ATOM 0 HA MET A 38 2.744 -1.752 -4.562 1.00 0.59 H new ATOM 0 HB2 MET A 38 4.670 -2.993 -2.552 1.00 0.75 H new ATOM 0 HB3 MET A 38 4.153 -3.765 -4.037 1.00 0.75 H new ATOM 0 HG2 MET A 38 5.208 -2.026 -5.376 1.00 1.40 H new ATOM 0 HG3 MET A 38 5.599 -1.100 -3.940 1.00 1.40 H new ATOM 0 HE1 MET A 38 8.357 -2.717 -2.205 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.695 -2.122 -1.981 1.00 2.53 H new ATOM 0 HE3 MET A 38 7.025 -3.871 -1.954 1.00 2.53 H new ATOM 645 N PHE A 39 1.335 -3.674 -3.642 1.00 0.61 N ATOM 646 CA PHE A 39 0.303 -4.556 -3.124 1.00 0.71 C ATOM 647 C PHE A 39 -0.005 -5.622 -4.163 1.00 0.72 C ATOM 648 O PHE A 39 -0.150 -5.324 -5.351 1.00 1.08 O ATOM 649 CB PHE A 39 -0.973 -3.788 -2.736 1.00 1.11 C ATOM 650 CG PHE A 39 -1.776 -3.298 -3.900 1.00 0.58 C ATOM 651 CD1 PHE A 39 -1.315 -2.260 -4.688 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.986 -3.889 -4.212 1.00 1.32 C ATOM 653 CE1 PHE A 39 -2.046 -1.821 -5.769 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.725 -3.454 -5.289 1.00 1.66 C ATOM 655 CZ PHE A 39 -3.253 -2.419 -6.072 1.00 1.57 C ATOM 0 H PHE A 39 1.515 -3.782 -4.640 1.00 0.61 H new ATOM 0 HA PHE A 39 0.675 -5.024 -2.213 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.601 -4.436 -2.124 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.695 -2.935 -2.117 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.372 -1.789 -4.453 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.356 -4.701 -3.604 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -1.676 -1.010 -6.379 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.671 -3.921 -5.521 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.827 -2.078 -6.920 1.00 1.57 H new ATOM 665 N THR A 40 -0.072 -6.862 -3.732 1.00 0.63 N ATOM 666 CA THR A 40 -0.330 -7.949 -4.647 1.00 0.74 C ATOM 667 C THR A 40 -1.820 -8.180 -4.815 1.00 0.84 C ATOM 668 O THR A 40 -2.558 -8.376 -3.845 1.00 1.16 O ATOM 669 CB THR A 40 0.390 -9.206 -4.185 1.00 0.98 C ATOM 670 OG1 THR A 40 0.382 -9.293 -2.770 1.00 1.45 O ATOM 671 CG2 THR A 40 1.823 -9.252 -4.660 1.00 1.35 C ATOM 0 H THR A 40 0.048 -7.141 -2.758 1.00 0.63 H new ATOM 0 HA THR A 40 0.062 -7.681 -5.628 1.00 0.74 H new ATOM 0 HB THR A 40 -0.148 -10.048 -4.620 1.00 0.98 H new ATOM 0 HG1 THR A 40 0.848 -10.108 -2.490 1.00 1.45 H new ATOM 0 HG21 THR A 40 2.295 -10.168 -4.305 1.00 1.35 H new ATOM 0 HG22 THR A 40 1.846 -9.231 -5.750 1.00 1.35 H new ATOM 0 HG23 THR A 40 2.364 -8.390 -4.269 1.00 1.35 H new ATOM 679 N GLU A 41 -2.254 -8.128 -6.060 1.00 1.04 N ATOM 680 CA GLU A 41 -3.647 -8.311 -6.400 1.00 1.27 C ATOM 681 C GLU A 41 -4.048 -9.777 -6.329 1.00 1.20 C ATOM 682 O GLU A 41 -4.270 -10.425 -7.354 1.00 1.66 O ATOM 683 CB GLU A 41 -3.908 -7.766 -7.797 1.00 1.89 C ATOM 684 CG GLU A 41 -3.584 -6.294 -7.939 1.00 2.55 C ATOM 685 CD GLU A 41 -3.600 -5.853 -9.383 1.00 3.05 C ATOM 686 OE1 GLU A 41 -2.833 -6.424 -10.177 1.00 3.56 O ATOM 687 OE2 GLU A 41 -4.380 -4.950 -9.735 1.00 3.46 O ATOM 0 H GLU A 41 -1.648 -7.957 -6.863 1.00 1.04 H new ATOM 0 HA GLU A 41 -4.250 -7.765 -5.675 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -3.316 -8.332 -8.516 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -4.956 -7.926 -8.051 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -4.306 -5.707 -7.372 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -2.602 -6.095 -7.509 1.00 2.55 H new ATOM 694 N GLN A 42 -4.155 -10.297 -5.116 1.00 1.08 N ATOM 695 CA GLN A 42 -4.557 -11.679 -4.929 1.00 1.24 C ATOM 696 C GLN A 42 -6.019 -11.817 -5.319 1.00 1.37 C ATOM 697 O GLN A 42 -6.801 -10.878 -5.148 1.00 1.84 O ATOM 698 CB GLN A 42 -4.312 -12.127 -3.489 1.00 1.58 C ATOM 699 CG GLN A 42 -2.836 -12.199 -3.138 1.00 2.34 C ATOM 700 CD GLN A 42 -2.587 -12.778 -1.765 1.00 2.87 C ATOM 701 OE1 GLN A 42 -3.034 -13.881 -1.452 1.00 3.26 O ATOM 702 NE2 GLN A 42 -1.857 -12.046 -0.940 1.00 3.46 N ATOM 0 H GLN A 42 -3.970 -9.786 -4.253 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.957 -12.329 -5.566 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -4.809 -11.436 -2.809 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.765 -13.106 -3.336 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -2.320 -12.806 -3.882 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.406 -11.199 -3.189 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -1.506 -11.137 -1.240 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -1.645 -12.391 -0.004 1.00 3.46 H new ATOM 711 N ASP A 43 -6.382 -12.958 -5.871 1.00 1.32 N ATOM 712 CA ASP A 43 -7.744 -13.168 -6.316 1.00 1.60 C ATOM 713 C ASP A 43 -8.536 -13.939 -5.281 1.00 1.62 C ATOM 714 O ASP A 43 -8.577 -15.170 -5.288 1.00 1.97 O ATOM 715 CB ASP A 43 -7.774 -13.888 -7.659 1.00 2.08 C ATOM 716 CG ASP A 43 -9.164 -13.889 -8.259 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.692 -12.790 -8.542 1.00 2.96 O ATOM 718 OD2 ASP A 43 -9.735 -14.977 -8.461 1.00 2.87 O ATOM 0 H ASP A 43 -5.756 -13.749 -6.021 1.00 1.32 H new ATOM 0 HA ASP A 43 -8.209 -12.190 -6.444 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -7.080 -13.405 -8.347 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.432 -14.915 -7.530 1.00 2.08 H new ATOM 723 N ALA A 44 -9.149 -13.179 -4.389 1.00 1.87 N ATOM 724 CA ALA A 44 -9.952 -13.717 -3.304 1.00 2.28 C ATOM 725 C ALA A 44 -9.106 -14.600 -2.387 1.00 2.75 C ATOM 726 O ALA A 44 -7.970 -14.248 -2.062 1.00 3.39 O ATOM 727 CB ALA A 44 -11.168 -14.462 -3.844 1.00 2.82 C ATOM 0 H ALA A 44 -9.103 -12.160 -4.398 1.00 1.87 H new ATOM 0 HA ALA A 44 -10.321 -12.885 -2.705 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -11.753 -14.855 -3.012 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -11.783 -13.778 -4.429 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -10.838 -15.286 -4.477 1.00 2.82 H new ATOM 733 N SER A 45 -9.652 -15.735 -1.965 1.00 3.20 N ATOM 734 CA SER A 45 -8.933 -16.640 -1.086 1.00 4.25 C ATOM 735 C SER A 45 -8.375 -17.825 -1.877 1.00 4.77 C ATOM 736 O SER A 45 -8.186 -18.919 -1.338 1.00 5.30 O ATOM 737 CB SER A 45 -9.861 -17.132 0.031 1.00 4.93 C ATOM 738 OG SER A 45 -9.131 -17.415 1.214 1.00 5.22 O ATOM 0 H SER A 45 -10.589 -16.047 -2.219 1.00 3.20 H new ATOM 0 HA SER A 45 -8.097 -16.103 -0.638 1.00 4.25 H new ATOM 0 HB2 SER A 45 -10.618 -16.375 0.239 1.00 4.93 H new ATOM 0 HB3 SER A 45 -10.388 -18.028 -0.298 1.00 4.93 H new ATOM 0 HG SER A 45 -9.746 -17.725 1.911 1.00 5.22 H new ATOM 744 N THR A 46 -8.100 -17.603 -3.153 1.00 5.00 N ATOM 745 CA THR A 46 -7.545 -18.637 -4.012 1.00 5.82 C ATOM 746 C THR A 46 -6.499 -18.037 -4.939 1.00 5.62 C ATOM 747 O THR A 46 -6.202 -16.843 -4.852 1.00 5.88 O ATOM 748 CB THR A 46 -8.654 -19.323 -4.805 1.00 6.59 C ATOM 749 OG1 THR A 46 -9.655 -18.395 -5.186 1.00 6.31 O ATOM 750 CG2 THR A 46 -9.320 -20.438 -4.034 1.00 7.39 C ATOM 0 H THR A 46 -8.254 -16.709 -3.619 1.00 5.00 H new ATOM 0 HA THR A 46 -7.061 -19.392 -3.392 1.00 5.82 H new ATOM 0 HB THR A 46 -8.168 -19.746 -5.684 1.00 6.59 H new ATOM 0 HG1 THR A 46 -10.354 -18.858 -5.694 1.00 6.31 H new ATOM 0 HG21 THR A 46 -10.100 -20.889 -4.647 1.00 7.39 H new ATOM 0 HG22 THR A 46 -8.579 -21.194 -3.775 1.00 7.39 H new ATOM 0 HG23 THR A 46 -9.762 -20.036 -3.122 1.00 7.39 H new ATOM 758 N SER A 47 -5.932 -18.843 -5.824 1.00 5.54 N ATOM 759 CA SER A 47 -4.924 -18.337 -6.737 1.00 5.68 C ATOM 760 C SER A 47 -5.189 -18.732 -8.198 1.00 5.14 C ATOM 761 O SER A 47 -4.286 -19.235 -8.869 1.00 5.00 O ATOM 762 CB SER A 47 -3.543 -18.838 -6.302 1.00 6.41 C ATOM 763 OG SER A 47 -3.273 -18.482 -4.952 1.00 6.89 O ATOM 0 H SER A 47 -6.149 -19.834 -5.928 1.00 5.54 H new ATOM 0 HA SER A 47 -4.964 -17.249 -6.693 1.00 5.68 H new ATOM 0 HB2 SER A 47 -3.494 -19.921 -6.413 1.00 6.41 H new ATOM 0 HB3 SER A 47 -2.778 -18.416 -6.953 1.00 6.41 H new ATOM 0 HG SER A 47 -2.387 -18.814 -4.697 1.00 6.89 H new ATOM 769 N PRO A 48 -6.408 -18.516 -8.738 1.00 5.23 N ATOM 770 CA PRO A 48 -6.703 -18.868 -10.127 1.00 5.13 C ATOM 771 C PRO A 48 -5.957 -17.952 -11.123 1.00 4.48 C ATOM 772 O PRO A 48 -5.071 -18.429 -11.829 1.00 4.75 O ATOM 773 CB PRO A 48 -8.236 -18.756 -10.234 1.00 5.87 C ATOM 774 CG PRO A 48 -8.722 -18.564 -8.829 1.00 6.34 C ATOM 775 CD PRO A 48 -7.585 -17.932 -8.078 1.00 5.91 C ATOM 0 HA PRO A 48 -6.360 -19.869 -10.387 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -8.525 -17.917 -10.867 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -8.665 -19.654 -10.679 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -9.606 -17.927 -8.806 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -9.004 -19.517 -8.380 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -7.599 -16.845 -8.159 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -7.616 -18.173 -7.015 1.00 5.91 H new ATOM 783 N PRO A 49 -6.258 -16.627 -11.213 1.00 4.08 N ATOM 784 CA PRO A 49 -5.553 -15.747 -12.136 1.00 3.90 C ATOM 785 C PRO A 49 -4.214 -15.273 -11.568 1.00 3.66 C ATOM 786 O PRO A 49 -3.258 -15.095 -12.320 1.00 4.13 O ATOM 787 CB PRO A 49 -6.503 -14.550 -12.315 1.00 4.20 C ATOM 788 CG PRO A 49 -7.698 -14.842 -11.468 1.00 4.54 C ATOM 789 CD PRO A 49 -7.264 -15.871 -10.467 1.00 4.40 C ATOM 0 HA PRO A 49 -5.315 -16.256 -13.070 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -6.023 -13.621 -12.006 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -6.786 -14.430 -13.361 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -8.051 -13.939 -10.969 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -8.523 -15.214 -12.075 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -6.847 -15.415 -9.569 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -8.093 -16.503 -10.147 1.00 4.40 H new ATOM 797 N SER A 50 -4.175 -15.067 -10.237 1.00 3.25 N ATOM 798 CA SER A 50 -2.986 -14.599 -9.498 1.00 3.42 C ATOM 799 C SER A 50 -2.464 -13.266 -10.039 1.00 2.88 C ATOM 800 O SER A 50 -2.048 -13.166 -11.192 1.00 3.28 O ATOM 801 CB SER A 50 -1.874 -15.666 -9.453 1.00 4.28 C ATOM 802 OG SER A 50 -1.570 -16.184 -10.735 1.00 4.85 O ATOM 0 H SER A 50 -4.983 -15.224 -9.635 1.00 3.25 H new ATOM 0 HA SER A 50 -3.306 -14.427 -8.470 1.00 3.42 H new ATOM 0 HB2 SER A 50 -0.974 -15.231 -9.017 1.00 4.28 H new ATOM 0 HB3 SER A 50 -2.183 -16.481 -8.799 1.00 4.28 H new ATOM 0 HG SER A 50 -1.735 -15.496 -11.413 1.00 4.85 H new ATOM 808 N TYR A 51 -2.512 -12.241 -9.188 1.00 2.46 N ATOM 809 CA TYR A 51 -2.074 -10.896 -9.554 1.00 2.13 C ATOM 810 C TYR A 51 -2.892 -10.408 -10.753 1.00 2.52 C ATOM 811 O TYR A 51 -2.406 -10.413 -11.884 1.00 3.20 O ATOM 812 CB TYR A 51 -0.572 -10.881 -9.879 1.00 2.21 C ATOM 813 CG TYR A 51 0.221 -9.837 -9.131 1.00 2.58 C ATOM 814 CD1 TYR A 51 -0.289 -8.562 -8.926 1.00 3.33 C ATOM 815 CD2 TYR A 51 1.496 -10.117 -8.662 1.00 2.99 C ATOM 816 CE1 TYR A 51 0.448 -7.598 -8.272 1.00 4.15 C ATOM 817 CE2 TYR A 51 2.238 -9.159 -8.003 1.00 3.82 C ATOM 818 CZ TYR A 51 1.711 -7.903 -7.814 1.00 4.30 C ATOM 819 OH TYR A 51 2.452 -6.947 -7.162 1.00 5.34 O ATOM 0 H TYR A 51 -2.854 -12.320 -8.230 1.00 2.46 H new ATOM 0 HA TYR A 51 -2.237 -10.225 -8.711 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -0.155 -11.863 -9.657 1.00 2.21 H new ATOM 0 HB3 TYR A 51 -0.447 -10.716 -10.949 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -1.279 -8.322 -9.285 1.00 3.33 H new ATOM 0 HD2 TYR A 51 1.914 -11.101 -8.815 1.00 2.99 H new ATOM 0 HE1 TYR A 51 0.038 -6.610 -8.120 1.00 4.15 H new ATOM 0 HE2 TYR A 51 3.227 -9.394 -7.638 1.00 3.82 H new ATOM 0 HH TYR A 51 3.318 -7.325 -6.903 1.00 5.34 H new ATOM 829 N THR A 52 -4.148 -10.038 -10.484 1.00 2.67 N ATOM 830 CA THR A 52 -5.100 -9.590 -11.506 1.00 3.45 C ATOM 831 C THR A 52 -4.458 -8.807 -12.662 1.00 3.24 C ATOM 832 O THR A 52 -4.527 -9.240 -13.814 1.00 3.53 O ATOM 833 CB THR A 52 -6.197 -8.750 -10.853 1.00 4.25 C ATOM 834 OG1 THR A 52 -6.534 -9.274 -9.579 1.00 4.76 O ATOM 835 CG2 THR A 52 -7.466 -8.702 -11.673 1.00 4.89 C ATOM 0 H THR A 52 -4.537 -10.041 -9.541 1.00 2.67 H new ATOM 0 HA THR A 52 -5.518 -10.493 -11.951 1.00 3.45 H new ATOM 0 HB THR A 52 -5.789 -7.742 -10.772 1.00 4.25 H new ATOM 0 HG1 THR A 52 -6.781 -8.540 -8.978 1.00 4.76 H new ATOM 0 HG21 THR A 52 -8.208 -8.091 -11.159 1.00 4.89 H new ATOM 0 HG22 THR A 52 -7.252 -8.268 -12.650 1.00 4.89 H new ATOM 0 HG23 THR A 52 -7.854 -9.712 -11.802 1.00 4.89 H new ATOM 843 N HIS A 53 -3.855 -7.660 -12.373 1.00 3.23 N ATOM 844 CA HIS A 53 -3.250 -6.850 -13.430 1.00 3.30 C ATOM 845 C HIS A 53 -1.736 -6.762 -13.281 1.00 2.67 C ATOM 846 O HIS A 53 -1.064 -6.186 -14.144 1.00 3.21 O ATOM 847 CB HIS A 53 -3.816 -5.419 -13.418 1.00 4.24 C ATOM 848 CG HIS A 53 -5.293 -5.315 -13.175 1.00 4.85 C ATOM 849 ND1 HIS A 53 -5.843 -5.269 -11.911 1.00 5.28 N ATOM 850 CD2 HIS A 53 -6.336 -5.243 -14.035 1.00 5.52 C ATOM 851 CE1 HIS A 53 -7.153 -5.174 -12.005 1.00 6.09 C ATOM 852 NE2 HIS A 53 -7.478 -5.156 -13.281 1.00 6.21 N ATOM 0 H HIS A 53 -3.771 -7.272 -11.433 1.00 3.23 H new ATOM 0 HA HIS A 53 -3.491 -7.343 -14.372 1.00 3.30 H new ATOM 0 HB2 HIS A 53 -3.297 -4.847 -12.649 1.00 4.24 H new ATOM 0 HB3 HIS A 53 -3.588 -4.948 -14.374 1.00 4.24 H new ATOM 0 HD1 HIS A 53 -5.316 -5.303 -11.038 1.00 5.28 H new ATOM 0 HD2 HIS A 53 -6.279 -5.252 -15.113 1.00 5.52 H new ATOM 0 HE1 HIS A 53 -7.844 -5.120 -11.176 1.00 6.09 H new ATOM 861 N TYR A 54 -1.216 -7.268 -12.162 1.00 2.10 N ATOM 862 CA TYR A 54 0.213 -7.179 -11.863 1.00 2.00 C ATOM 863 C TYR A 54 0.540 -5.694 -11.800 1.00 1.62 C ATOM 864 O TYR A 54 1.225 -5.143 -12.669 1.00 1.96 O ATOM 865 CB TYR A 54 1.069 -7.903 -12.919 1.00 2.78 C ATOM 866 CG TYR A 54 2.449 -8.297 -12.421 1.00 3.45 C ATOM 867 CD1 TYR A 54 3.299 -7.363 -11.841 1.00 3.89 C ATOM 868 CD2 TYR A 54 2.896 -9.609 -12.522 1.00 4.24 C ATOM 869 CE1 TYR A 54 4.548 -7.725 -11.375 1.00 4.87 C ATOM 870 CE2 TYR A 54 4.147 -9.977 -12.061 1.00 5.15 C ATOM 871 CZ TYR A 54 4.968 -9.032 -11.488 1.00 5.40 C ATOM 872 OH TYR A 54 6.211 -9.396 -11.016 1.00 6.50 O ATOM 0 H TYR A 54 -1.765 -7.745 -11.447 1.00 2.10 H new ATOM 0 HA TYR A 54 0.442 -7.674 -10.919 1.00 2.00 H new ATOM 0 HB2 TYR A 54 0.542 -8.798 -13.249 1.00 2.78 H new ATOM 0 HB3 TYR A 54 1.178 -7.258 -13.791 1.00 2.78 H new ATOM 0 HD1 TYR A 54 2.977 -6.336 -11.753 1.00 3.89 H new ATOM 0 HD2 TYR A 54 2.255 -10.355 -12.969 1.00 4.24 H new ATOM 0 HE1 TYR A 54 5.193 -6.986 -10.924 1.00 4.87 H new ATOM 0 HE2 TYR A 54 4.478 -11.001 -12.150 1.00 5.15 H new ATOM 0 HH TYR A 54 6.353 -10.353 -11.172 1.00 6.50 H new ATOM 882 N SER A 55 -0.040 -5.045 -10.808 1.00 1.34 N ATOM 883 CA SER A 55 0.086 -3.609 -10.665 1.00 1.50 C ATOM 884 C SER A 55 1.094 -3.190 -9.606 1.00 1.20 C ATOM 885 O SER A 55 1.446 -3.949 -8.703 1.00 1.33 O ATOM 886 CB SER A 55 -1.292 -3.031 -10.344 1.00 2.13 C ATOM 887 OG SER A 55 -2.269 -3.527 -11.244 1.00 2.61 O ATOM 0 H SER A 55 -0.605 -5.493 -10.087 1.00 1.34 H new ATOM 0 HA SER A 55 0.466 -3.215 -11.607 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.570 -3.287 -9.322 1.00 2.13 H new ATOM 0 HB3 SER A 55 -1.257 -1.943 -10.402 1.00 2.13 H new ATOM 0 HG SER A 55 -2.119 -3.144 -12.133 1.00 2.61 H new ATOM 893 N SER A 56 1.539 -1.954 -9.735 1.00 1.07 N ATOM 894 CA SER A 56 2.491 -1.356 -8.823 1.00 0.91 C ATOM 895 C SER A 56 2.116 0.109 -8.654 1.00 0.80 C ATOM 896 O SER A 56 1.597 0.721 -9.584 1.00 0.93 O ATOM 897 CB SER A 56 3.905 -1.510 -9.375 1.00 1.09 C ATOM 898 OG SER A 56 4.195 -2.881 -9.613 1.00 1.73 O ATOM 0 H SER A 56 1.244 -1.331 -10.487 1.00 1.07 H new ATOM 0 HA SER A 56 2.466 -1.851 -7.852 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.005 -0.944 -10.301 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.625 -1.096 -8.669 1.00 1.09 H new ATOM 0 HG SER A 56 5.104 -2.966 -9.968 1.00 1.73 H new ATOM 904 N ILE A 57 2.324 0.674 -7.478 1.00 0.68 N ATOM 905 CA ILE A 57 1.927 2.056 -7.262 1.00 0.67 C ATOM 906 C ILE A 57 3.116 3.005 -7.138 1.00 0.63 C ATOM 907 O ILE A 57 4.177 2.647 -6.625 1.00 0.81 O ATOM 908 CB ILE A 57 0.996 2.169 -6.035 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.270 1.357 -6.293 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.629 3.618 -5.744 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.386 1.650 -5.324 1.00 0.81 C ATOM 0 H ILE A 57 2.754 0.213 -6.676 1.00 0.68 H new ATOM 0 HA ILE A 57 1.378 2.368 -8.150 1.00 0.67 H new ATOM 0 HB ILE A 57 1.523 1.779 -5.164 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.619 1.557 -7.306 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -0.027 0.296 -6.243 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.027 3.660 -4.874 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.535 4.189 -5.543 1.00 0.82 H new ATOM 0 HG23 ILE A 57 0.116 4.044 -6.606 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.252 1.036 -5.570 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.056 1.423 -4.310 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.658 2.704 -5.390 1.00 0.81 H new ATOM 923 N ARG A 58 2.895 4.238 -7.577 1.00 0.66 N ATOM 924 CA ARG A 58 3.900 5.279 -7.495 1.00 0.73 C ATOM 925 C ARG A 58 3.270 6.547 -6.961 1.00 0.75 C ATOM 926 O ARG A 58 2.077 6.785 -7.154 1.00 0.91 O ATOM 927 CB ARG A 58 4.551 5.548 -8.852 1.00 0.96 C ATOM 928 CG ARG A 58 3.713 6.379 -9.799 1.00 1.24 C ATOM 929 CD ARG A 58 3.048 5.517 -10.853 1.00 1.86 C ATOM 930 NE ARG A 58 4.014 4.731 -11.631 1.00 2.47 N ATOM 931 CZ ARG A 58 4.960 5.259 -12.418 1.00 2.95 C ATOM 932 NH1 ARG A 58 5.196 6.565 -12.410 1.00 3.22 N ATOM 933 NH2 ARG A 58 5.762 4.462 -13.108 1.00 3.70 N ATOM 0 H ARG A 58 2.016 4.539 -7.998 1.00 0.66 H new ATOM 0 HA ARG A 58 4.684 4.940 -6.817 1.00 0.73 H new ATOM 0 HB2 ARG A 58 5.502 6.055 -8.690 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.775 4.594 -9.328 1.00 0.96 H new ATOM 0 HG2 ARG A 58 2.952 6.919 -9.235 1.00 1.24 H new ATOM 0 HG3 ARG A 58 4.342 7.127 -10.282 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.340 4.842 -10.372 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.475 6.152 -11.528 1.00 1.86 H new ATOM 0 HE ARG A 58 3.961 3.714 -11.568 1.00 2.47 H new ATOM 0 HH11 ARG A 58 4.654 7.177 -11.800 1.00 3.22 H new ATOM 0 HH12 ARG A 58 5.919 6.956 -13.014 1.00 3.22 H new ATOM 0 HH21 ARG A 58 5.658 3.450 -13.039 1.00 3.70 H new ATOM 0 HH22 ARG A 58 6.484 4.861 -13.709 1.00 3.70 H new ATOM 947 N LEU A 59 4.073 7.343 -6.292 1.00 0.85 N ATOM 948 CA LEU A 59 3.621 8.589 -5.712 1.00 1.02 C ATOM 949 C LEU A 59 3.530 9.685 -6.777 1.00 1.15 C ATOM 950 O LEU A 59 2.924 10.733 -6.545 1.00 1.59 O ATOM 951 CB LEU A 59 4.577 8.985 -4.581 1.00 1.28 C ATOM 952 CG LEU A 59 4.170 8.518 -3.171 1.00 1.35 C ATOM 953 CD1 LEU A 59 4.182 7.000 -3.060 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.086 9.127 -2.122 1.00 1.79 C ATOM 0 H LEU A 59 5.061 7.145 -6.134 1.00 0.85 H new ATOM 0 HA LEU A 59 2.619 8.460 -5.302 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.564 8.582 -4.807 1.00 1.28 H new ATOM 0 HB3 LEU A 59 4.670 10.071 -4.572 1.00 1.28 H new ATOM 0 HG LEU A 59 3.150 8.860 -2.993 1.00 1.35 H new ATOM 0 HD11 LEU A 59 3.890 6.707 -2.052 1.00 1.35 H new ATOM 0 HD12 LEU A 59 3.480 6.577 -3.779 1.00 1.35 H new ATOM 0 HD13 LEU A 59 5.185 6.628 -3.270 1.00 1.35 H new ATOM 0 HD21 LEU A 59 4.783 8.786 -1.132 1.00 1.79 H new ATOM 0 HD22 LEU A 59 6.114 8.819 -2.313 1.00 1.79 H new ATOM 0 HD23 LEU A 59 5.019 10.214 -2.167 1.00 1.79 H new ATOM 966 N ASP A 60 4.161 9.433 -7.929 1.00 1.13 N ATOM 967 CA ASP A 60 4.203 10.379 -9.056 1.00 1.33 C ATOM 968 C ASP A 60 2.896 11.130 -9.297 1.00 1.33 C ATOM 969 O ASP A 60 2.839 12.344 -9.100 1.00 1.56 O ATOM 970 CB ASP A 60 4.606 9.678 -10.358 1.00 1.46 C ATOM 971 CG ASP A 60 6.074 9.314 -10.404 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.920 10.216 -10.236 1.00 2.52 O ATOM 973 OD2 ASP A 60 6.394 8.127 -10.616 1.00 2.27 O ATOM 0 H ASP A 60 4.661 8.562 -8.109 1.00 1.13 H new ATOM 0 HA ASP A 60 4.954 11.113 -8.764 1.00 1.33 H new ATOM 0 HB2 ASP A 60 4.009 8.774 -10.477 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.372 10.328 -11.201 1.00 1.46 H new ATOM 978 N LYS A 61 1.854 10.441 -9.761 1.00 1.22 N ATOM 979 CA LYS A 61 0.596 11.126 -10.056 1.00 1.28 C ATOM 980 C LYS A 61 -0.648 10.344 -9.633 1.00 1.06 C ATOM 981 O LYS A 61 -1.660 10.367 -10.340 1.00 1.27 O ATOM 982 CB LYS A 61 0.497 11.427 -11.553 1.00 1.60 C ATOM 983 CG LYS A 61 1.559 12.375 -12.085 1.00 1.93 C ATOM 984 CD LYS A 61 1.211 12.834 -13.485 1.00 2.55 C ATOM 985 CE LYS A 61 1.041 11.662 -14.433 1.00 3.16 C ATOM 986 NZ LYS A 61 0.506 12.104 -15.743 1.00 3.92 N ATOM 0 H LYS A 61 1.853 9.436 -9.937 1.00 1.22 H new ATOM 0 HA LYS A 61 0.617 12.045 -9.470 1.00 1.28 H new ATOM 0 HB2 LYS A 61 0.560 10.488 -12.103 1.00 1.60 H new ATOM 0 HB3 LYS A 61 -0.485 11.852 -11.760 1.00 1.60 H new ATOM 0 HG2 LYS A 61 1.647 13.238 -11.425 1.00 1.93 H new ATOM 0 HG3 LYS A 61 2.529 11.877 -12.090 1.00 1.93 H new ATOM 0 HD2 LYS A 61 0.291 13.417 -13.459 1.00 2.55 H new ATOM 0 HD3 LYS A 61 1.995 13.493 -13.858 1.00 2.55 H new ATOM 0 HE2 LYS A 61 2.001 11.166 -14.578 1.00 3.16 H new ATOM 0 HE3 LYS A 61 0.367 10.928 -13.991 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 0.400 11.281 -16.370 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 -0.421 12.555 -15.605 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 1.163 12.786 -16.174 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.610 9.683 -8.487 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.786 8.960 -8.026 1.00 0.69 C ATOM 1002 C TYR A 62 -2.561 9.853 -7.053 1.00 0.67 C ATOM 1003 O TYR A 62 -1.973 10.485 -6.170 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.419 7.616 -7.362 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.951 7.701 -5.919 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.237 8.328 -5.583 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -1.703 7.135 -4.897 1.00 1.46 C ATOM 1008 CE1 TYR A 62 0.667 8.389 -4.271 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -1.283 7.196 -3.581 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.095 7.824 -3.275 1.00 1.66 C ATOM 1011 OH TYR A 62 0.340 7.876 -1.971 1.00 2.21 O ATOM 0 H TYR A 62 0.201 9.631 -7.871 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.408 8.719 -8.888 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.289 6.961 -7.405 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.634 7.142 -7.952 1.00 0.70 H new ATOM 0 HD1 TYR A 62 0.838 8.777 -6.360 1.00 1.49 H new ATOM 0 HD2 TYR A 62 -2.632 6.639 -5.135 1.00 1.46 H new ATOM 0 HE1 TYR A 62 1.598 8.879 -4.029 1.00 1.84 H new ATOM 0 HE2 TYR A 62 -1.882 6.754 -2.798 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.313 7.432 -1.390 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.874 9.915 -7.220 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.717 10.729 -6.352 1.00 0.73 C ATOM 1023 C ASN A 63 -5.236 9.860 -5.228 1.00 0.64 C ATOM 1024 O ASN A 63 -6.129 9.040 -5.414 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.883 11.341 -7.133 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.713 12.318 -6.305 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -7.341 11.942 -5.315 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -6.745 13.581 -6.713 1.00 2.13 N ATOM 0 H ASN A 63 -4.380 9.412 -7.949 1.00 0.64 H new ATOM 0 HA ASN A 63 -4.127 11.551 -5.946 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.493 11.858 -8.010 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.529 10.541 -7.495 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -7.300 14.268 -6.203 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -6.215 13.864 -7.537 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.645 10.018 -4.075 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.020 9.219 -2.921 1.00 0.70 C ATOM 1037 C ILE A 64 -5.829 10.045 -1.926 1.00 0.79 C ATOM 1038 O ILE A 64 -5.510 11.205 -1.657 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.757 8.602 -2.266 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.094 7.479 -1.280 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.921 9.661 -1.574 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.446 7.949 0.109 1.00 1.18 C ATOM 0 H ILE A 64 -3.899 10.692 -3.901 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.660 8.401 -3.252 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.177 8.166 -3.079 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.930 6.903 -1.677 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -3.242 6.802 -1.216 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.043 9.196 -1.125 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.604 10.407 -2.302 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.514 10.142 -0.796 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.670 7.088 0.739 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.605 8.498 0.531 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -5.318 8.601 0.062 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.880 9.437 -1.395 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.753 10.092 -0.435 1.00 0.80 C ATOM 1056 C ARG A 65 -8.121 9.105 0.663 1.00 0.68 C ATOM 1057 O ARG A 65 -7.882 7.908 0.528 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.034 10.576 -1.110 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.858 11.053 -2.544 1.00 1.24 C ATOM 1060 CD ARG A 65 -10.199 11.372 -3.180 1.00 1.78 C ATOM 1061 NE ARG A 65 -10.071 11.869 -4.550 1.00 2.20 N ATOM 1062 CZ ARG A 65 -11.112 12.227 -5.309 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -12.347 12.114 -4.844 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -10.914 12.721 -6.523 1.00 3.57 N ATOM 0 H ARG A 65 -7.150 8.479 -1.617 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.226 10.950 -0.017 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.763 9.766 -1.098 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.454 11.391 -0.520 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.224 11.939 -2.561 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -8.349 10.285 -3.126 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -10.819 10.475 -3.180 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -10.715 12.117 -2.575 1.00 1.78 H new ATOM 0 HE ARG A 65 -9.135 11.947 -4.948 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -12.507 11.753 -3.904 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -13.138 12.388 -5.426 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -9.965 12.829 -6.881 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -11.711 12.993 -7.099 1.00 3.57 H new ATOM 1078 N GLN A 66 -8.727 9.596 1.725 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.152 8.747 2.826 1.00 0.83 C ATOM 1080 C GLN A 66 -10.490 9.251 3.357 1.00 0.99 C ATOM 1081 O GLN A 66 -10.628 10.425 3.701 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.086 8.708 3.932 1.00 0.97 C ATOM 1083 CG GLN A 66 -7.656 10.082 4.428 1.00 1.30 C ATOM 1084 CD GLN A 66 -6.482 10.031 5.387 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -6.200 10.999 6.092 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -5.772 8.915 5.405 1.00 2.45 N ATOM 0 H GLN A 66 -8.939 10.586 1.852 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.277 7.725 2.469 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.472 8.134 4.774 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.210 8.177 3.559 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -7.391 10.703 3.573 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.500 10.563 4.922 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -6.036 8.133 4.806 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -4.960 8.837 6.018 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.485 8.378 3.402 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.813 8.752 3.867 1.00 1.14 C ATOM 1097 C HIS A 67 -13.226 7.865 5.030 1.00 1.30 C ATOM 1098 O HIS A 67 -13.090 6.644 4.962 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.843 8.595 2.743 1.00 1.28 C ATOM 1100 CG HIS A 67 -13.634 9.487 1.555 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -13.786 10.856 1.584 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.308 9.179 0.281 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -13.570 11.348 0.376 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.278 10.349 -0.440 1.00 1.61 N ATOM 0 H HIS A 67 -11.398 7.401 3.121 1.00 0.94 H new ATOM 0 HA HIS A 67 -12.778 9.794 4.185 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.833 7.559 2.405 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.835 8.788 3.152 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.107 8.190 -0.103 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -13.623 12.391 0.101 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.067 10.432 -1.434 1.00 1.61 H new ATOM 1113 N THR A 68 -13.746 8.461 6.087 1.00 1.74 N ATOM 1114 CA THR A 68 -14.184 7.692 7.239 1.00 2.04 C ATOM 1115 C THR A 68 -15.666 7.331 7.091 1.00 1.92 C ATOM 1116 O THR A 68 -16.515 7.758 7.876 1.00 2.16 O ATOM 1117 CB THR A 68 -13.914 8.468 8.533 1.00 2.74 C ATOM 1118 OG1 THR A 68 -12.566 8.914 8.565 1.00 3.12 O ATOM 1119 CG2 THR A 68 -14.152 7.650 9.787 1.00 3.23 C ATOM 0 H THR A 68 -13.875 9.469 6.173 1.00 1.74 H new ATOM 0 HA THR A 68 -13.616 6.763 7.292 1.00 2.04 H new ATOM 0 HB THR A 68 -14.616 9.302 8.527 1.00 2.74 H new ATOM 0 HG1 THR A 68 -11.989 8.190 8.887 1.00 3.12 H new ATOM 0 HG21 THR A 68 -13.942 8.261 10.665 1.00 3.23 H new ATOM 0 HG22 THR A 68 -15.190 7.320 9.814 1.00 3.23 H new ATOM 0 HG23 THR A 68 -13.495 6.780 9.784 1.00 3.23 H new ATOM 1127 N THR A 69 -15.956 6.511 6.086 1.00 2.34 N ATOM 1128 CA THR A 69 -17.302 6.041 5.818 1.00 2.58 C ATOM 1129 C THR A 69 -17.500 4.696 6.513 1.00 2.35 C ATOM 1130 O THR A 69 -17.268 3.642 5.912 1.00 2.76 O ATOM 1131 CB THR A 69 -17.508 5.908 4.306 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.346 5.362 3.694 1.00 3.61 O ATOM 1133 CG2 THR A 69 -17.812 7.218 3.616 1.00 3.69 C ATOM 0 H THR A 69 -15.257 6.155 5.434 1.00 2.34 H new ATOM 0 HA THR A 69 -18.034 6.751 6.201 1.00 2.58 H new ATOM 0 HB THR A 69 -18.371 5.253 4.191 1.00 3.11 H new ATOM 0 HG1 THR A 69 -16.109 4.519 4.135 1.00 3.61 H new ATOM 0 HG21 THR A 69 -17.945 7.044 2.548 1.00 3.69 H new ATOM 0 HG22 THR A 69 -18.725 7.645 4.031 1.00 3.69 H new ATOM 0 HG23 THR A 69 -16.985 7.911 3.770 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.847 4.758 7.804 1.00 2.34 N ATOM 1142 CA ASP A 70 -18.008 3.571 8.664 1.00 2.43 C ATOM 1143 C ASP A 70 -16.622 3.088 9.066 1.00 2.17 C ATOM 1144 O ASP A 70 -16.259 3.091 10.243 1.00 2.45 O ATOM 1145 CB ASP A 70 -18.775 2.435 7.979 1.00 3.01 C ATOM 1146 CG ASP A 70 -20.210 2.791 7.654 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -20.961 3.181 8.570 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -20.602 2.668 6.474 1.00 3.96 O ATOM 0 H ASP A 70 -18.026 5.638 8.288 1.00 2.34 H new ATOM 0 HA ASP A 70 -18.598 3.859 9.534 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -18.259 2.161 7.059 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -18.763 1.557 8.625 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.832 2.745 8.060 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.451 2.340 8.249 1.00 2.00 C ATOM 1155 C GLU A 71 -13.602 3.271 7.406 1.00 1.55 C ATOM 1156 O GLU A 71 -14.042 3.710 6.337 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.166 0.887 7.817 1.00 2.69 C ATOM 1158 CG GLU A 71 -14.957 -0.186 8.546 1.00 3.30 C ATOM 1159 CD GLU A 71 -16.356 -0.347 8.001 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -16.521 -0.347 6.759 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -17.292 -0.517 8.807 1.00 4.50 O ATOM 0 H GLU A 71 -16.134 2.740 7.086 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.223 2.394 9.314 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -14.368 0.799 6.750 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -13.104 0.688 7.958 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -14.429 -1.137 8.469 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -15.010 0.064 9.606 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.402 3.573 7.866 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.508 4.453 7.124 1.00 1.10 C ATOM 1170 C ASP A 72 -11.164 3.824 5.793 1.00 0.90 C ATOM 1171 O ASP A 72 -10.627 2.718 5.727 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.245 4.748 7.921 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.523 5.675 9.081 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.951 6.823 8.841 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -10.323 5.259 10.237 1.00 2.64 O ATOM 0 H ASP A 72 -12.022 3.225 8.746 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.017 5.401 6.949 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.823 3.815 8.294 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.498 5.197 7.267 1.00 1.58 H new ATOM 1180 N THR A 73 -11.531 4.512 4.738 1.00 0.74 N ATOM 1181 CA THR A 73 -11.330 4.027 3.397 1.00 0.65 C ATOM 1182 C THR A 73 -10.316 4.874 2.653 1.00 0.60 C ATOM 1183 O THR A 73 -10.580 6.030 2.318 1.00 0.79 O ATOM 1184 CB THR A 73 -12.671 4.063 2.678 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.663 3.436 3.471 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.662 3.403 1.317 1.00 0.94 C ATOM 0 H THR A 73 -11.979 5.427 4.788 1.00 0.74 H new ATOM 0 HA THR A 73 -10.940 3.010 3.432 1.00 0.65 H new ATOM 0 HB THR A 73 -12.889 5.120 2.523 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.523 3.465 3.002 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.655 3.472 0.873 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.940 3.906 0.673 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.384 2.354 1.423 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.174 4.285 2.365 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.141 4.968 1.622 1.00 0.52 C ATOM 1196 C ILE A 74 -8.273 4.552 0.166 1.00 0.50 C ATOM 1197 O ILE A 74 -8.012 3.405 -0.197 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.719 4.659 2.175 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.450 5.400 3.489 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.631 5.028 1.184 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.251 4.914 4.672 1.00 0.99 C ATOM 0 H ILE A 74 -8.939 3.330 2.637 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.268 6.046 1.723 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.695 3.583 2.350 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -5.390 5.313 3.727 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -6.657 6.460 3.340 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.656 4.796 1.611 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.769 4.460 0.264 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.686 6.094 0.964 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.990 5.500 5.553 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -8.315 5.027 4.463 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.028 3.863 4.856 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.724 5.483 -0.649 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.930 5.235 -2.058 1.00 0.45 C ATOM 1215 C VAL A 75 -7.760 5.761 -2.851 1.00 0.46 C ATOM 1216 O VAL A 75 -7.094 6.712 -2.432 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.232 5.881 -2.554 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.420 5.288 -1.815 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.184 7.391 -2.388 1.00 1.19 C ATOM 0 H VAL A 75 -8.957 6.431 -0.353 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.011 4.158 -2.202 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.345 5.670 -3.617 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.339 5.752 -2.173 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.461 4.214 -1.995 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.313 5.473 -0.746 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.117 7.826 -2.746 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.049 7.637 -1.335 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.351 7.794 -2.964 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.489 5.132 -3.973 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.368 5.532 -4.789 1.00 0.58 C ATOM 1231 C LEU A 76 -6.756 5.637 -6.261 1.00 0.59 C ATOM 1232 O LEU A 76 -7.073 4.642 -6.911 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.205 4.538 -4.605 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.581 4.500 -3.203 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.321 3.518 -2.305 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.107 4.146 -3.290 1.00 1.04 C ATOM 0 H LEU A 76 -8.027 4.346 -4.338 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.047 6.522 -4.464 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -5.563 3.538 -4.851 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.424 4.783 -5.324 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.672 5.492 -2.760 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.860 3.509 -1.317 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.364 3.822 -2.216 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.270 2.519 -2.738 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.679 4.123 -2.288 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -2.995 3.167 -3.755 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.588 4.894 -3.889 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.703 6.857 -6.787 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.007 7.111 -8.180 1.00 0.74 C ATOM 1250 C GLN A 77 -5.705 7.064 -8.978 1.00 0.78 C ATOM 1251 O GLN A 77 -4.742 7.759 -8.657 1.00 1.06 O ATOM 1252 CB GLN A 77 -7.674 8.471 -8.342 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.091 8.536 -7.788 1.00 1.36 C ATOM 1254 CD GLN A 77 -9.826 9.791 -8.215 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -9.478 10.902 -7.818 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.840 9.625 -9.048 1.00 2.03 N ATOM 0 H GLN A 77 -6.448 7.690 -6.257 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.697 6.352 -8.548 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.065 9.225 -7.843 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -7.697 8.729 -9.401 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.649 7.661 -8.122 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.054 8.493 -6.699 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -11.099 8.688 -9.355 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.363 10.434 -9.383 1.00 2.03 H new ATOM 1265 N PRO A 78 -5.645 6.190 -9.975 1.00 0.85 N ATOM 1266 CA PRO A 78 -4.445 5.969 -10.786 1.00 0.99 C ATOM 1267 C PRO A 78 -4.151 7.018 -11.839 1.00 1.02 C ATOM 1268 O PRO A 78 -5.037 7.716 -12.340 1.00 1.34 O ATOM 1269 CB PRO A 78 -4.761 4.658 -11.489 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.242 4.658 -11.609 1.00 1.60 C ATOM 1271 CD PRO A 78 -6.738 5.285 -10.344 1.00 1.20 C ATOM 0 HA PRO A 78 -3.563 5.989 -10.146 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.282 4.605 -12.467 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.408 3.802 -10.914 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -6.566 5.224 -12.482 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.628 3.645 -11.724 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -7.673 5.823 -10.500 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -6.924 4.540 -9.570 1.00 1.20 H new ATOM 1279 N GLN A 79 -2.886 7.042 -12.218 1.00 1.17 N ATOM 1280 CA GLN A 79 -2.400 7.908 -13.277 1.00 1.56 C ATOM 1281 C GLN A 79 -2.363 7.073 -14.547 1.00 1.66 C ATOM 1282 O GLN A 79 -1.783 7.449 -15.563 1.00 2.02 O ATOM 1283 CB GLN A 79 -1.003 8.418 -12.941 1.00 2.04 C ATOM 1284 CG GLN A 79 0.033 7.313 -12.907 1.00 2.20 C ATOM 1285 CD GLN A 79 1.421 7.808 -12.580 1.00 2.84 C ATOM 1286 OE1 GLN A 79 1.685 8.258 -11.465 1.00 3.22 O ATOM 1287 NE2 GLN A 79 2.318 7.719 -13.545 1.00 3.46 N ATOM 0 H GLN A 79 -2.163 6.458 -11.798 1.00 1.17 H new ATOM 0 HA GLN A 79 -3.048 8.776 -13.399 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -0.707 9.165 -13.678 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -1.027 8.918 -11.972 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -0.264 6.569 -12.168 1.00 2.20 H new ATOM 0 HG3 GLN A 79 0.052 6.812 -13.875 1.00 2.20 H new ATOM 0 HE21 GLN A 79 2.053 7.339 -14.454 1.00 3.46 H new ATOM 0 HE22 GLN A 79 3.276 8.030 -13.382 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.000 5.917 -14.417 1.00 1.50 N ATOM 1297 CA GLU A 80 -3.143 4.894 -15.438 1.00 1.81 C ATOM 1298 C GLU A 80 -1.848 4.454 -16.144 1.00 1.62 C ATOM 1299 O GLU A 80 -1.803 4.350 -17.372 1.00 1.78 O ATOM 1300 CB GLU A 80 -4.247 5.246 -16.427 1.00 2.37 C ATOM 1301 CG GLU A 80 -3.958 6.416 -17.360 1.00 3.06 C ATOM 1302 CD GLU A 80 -4.968 6.529 -18.483 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -6.185 6.568 -18.193 1.00 4.42 O ATOM 1304 OE2 GLU A 80 -4.553 6.587 -19.663 1.00 4.35 O ATOM 0 H GLU A 80 -3.457 5.655 -13.543 1.00 1.50 H new ATOM 0 HA GLU A 80 -3.438 4.004 -14.883 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -4.458 4.366 -17.034 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -5.154 5.470 -15.865 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -3.954 7.342 -16.785 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -2.960 6.300 -17.784 1.00 3.06 H new ATOM 1311 N PRO A 81 -0.807 4.079 -15.375 1.00 1.93 N ATOM 1312 CA PRO A 81 0.438 3.546 -15.919 1.00 2.28 C ATOM 1313 C PRO A 81 0.321 2.029 -15.979 1.00 2.24 C ATOM 1314 O PRO A 81 1.272 1.297 -15.721 1.00 2.80 O ATOM 1315 CB PRO A 81 1.441 3.954 -14.846 1.00 2.89 C ATOM 1316 CG PRO A 81 0.674 3.817 -13.569 1.00 3.10 C ATOM 1317 CD PRO A 81 -0.780 4.056 -13.904 1.00 2.53 C ATOM 0 HA PRO A 81 0.700 3.896 -16.918 1.00 2.28 H new ATOM 0 HB2 PRO A 81 2.321 3.310 -14.855 1.00 2.89 H new ATOM 0 HB3 PRO A 81 1.792 4.975 -14.994 1.00 2.89 H new ATOM 0 HG2 PRO A 81 0.813 2.825 -13.139 1.00 3.10 H new ATOM 0 HG3 PRO A 81 1.023 4.537 -12.829 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.417 3.266 -13.505 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -1.137 4.996 -13.483 1.00 2.53 H new ATOM 1325 N GLY A 82 -0.898 1.578 -16.236 1.00 1.99 N ATOM 1326 CA GLY A 82 -1.182 0.164 -16.229 1.00 2.10 C ATOM 1327 C GLY A 82 -1.668 -0.214 -14.845 1.00 1.96 C ATOM 1328 O GLY A 82 -1.533 -1.348 -14.403 1.00 2.51 O ATOM 0 H GLY A 82 -1.698 2.173 -16.450 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -1.939 -0.075 -16.976 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -0.288 -0.405 -16.487 1.00 2.10 H new ATOM 1332 N LEU A 83 -2.200 0.791 -14.160 1.00 1.57 N ATOM 1333 CA LEU A 83 -2.691 0.657 -12.801 1.00 1.40 C ATOM 1334 C LEU A 83 -4.194 0.888 -12.764 1.00 1.22 C ATOM 1335 O LEU A 83 -4.706 1.788 -13.427 1.00 1.13 O ATOM 1336 CB LEU A 83 -1.975 1.698 -11.931 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.388 1.800 -10.461 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.729 0.698 -9.646 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -2.021 3.181 -9.928 1.00 1.26 C ATOM 0 H LEU A 83 -2.302 1.732 -14.540 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.492 -0.347 -12.426 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -0.906 1.486 -11.965 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -2.121 2.676 -12.389 1.00 1.31 H new ATOM 0 HG LEU A 83 -3.467 1.669 -10.375 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -2.033 0.785 -8.603 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -2.035 -0.274 -10.033 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -0.645 0.792 -9.717 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -2.314 3.257 -8.881 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -0.945 3.331 -10.015 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -2.541 3.944 -10.506 1.00 1.26 H new ATOM 1351 N PRO A 84 -4.910 0.084 -11.987 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.349 0.188 -11.838 1.00 1.29 C ATOM 1353 C PRO A 84 -6.729 1.094 -10.660 1.00 1.09 C ATOM 1354 O PRO A 84 -5.858 1.607 -9.956 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.737 -1.265 -11.558 1.00 1.58 C ATOM 1356 CG PRO A 84 -5.582 -1.823 -10.786 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.366 -1.014 -11.166 1.00 1.64 C ATOM 0 HA PRO A 84 -6.849 0.627 -12.702 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -7.662 -1.325 -10.985 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -6.899 -1.817 -12.484 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -5.768 -1.759 -9.714 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -5.433 -2.877 -11.022 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.848 -0.635 -10.285 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.647 -1.613 -11.726 1.00 1.64 H new ATOM 1365 N SER A 85 -8.024 1.265 -10.437 1.00 0.99 N ATOM 1366 CA SER A 85 -8.510 2.078 -9.329 1.00 0.88 C ATOM 1367 C SER A 85 -9.056 1.155 -8.257 1.00 0.63 C ATOM 1368 O SER A 85 -10.086 0.518 -8.467 1.00 0.82 O ATOM 1369 CB SER A 85 -9.622 3.026 -9.789 1.00 1.23 C ATOM 1370 OG SER A 85 -9.289 3.675 -11.011 1.00 1.43 O ATOM 0 H SER A 85 -8.760 0.851 -11.010 1.00 0.99 H new ATOM 0 HA SER A 85 -7.686 2.678 -8.942 1.00 0.88 H new ATOM 0 HB2 SER A 85 -10.548 2.466 -9.915 1.00 1.23 H new ATOM 0 HB3 SER A 85 -9.804 3.774 -9.018 1.00 1.23 H new ATOM 0 HG SER A 85 -10.021 4.270 -11.275 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.380 1.051 -7.121 1.00 0.53 N ATOM 1377 CA PHE A 86 -8.843 0.166 -6.062 1.00 0.64 C ATOM 1378 C PHE A 86 -9.076 0.933 -4.766 1.00 0.57 C ATOM 1379 O PHE A 86 -8.861 2.149 -4.707 1.00 0.63 O ATOM 1380 CB PHE A 86 -7.854 -0.990 -5.841 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.632 -0.660 -5.018 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -5.722 0.313 -5.416 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.389 -1.349 -3.839 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -4.603 0.587 -4.654 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.272 -1.076 -3.074 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.378 -0.109 -3.482 1.00 0.75 C ATOM 0 H PHE A 86 -7.522 1.560 -6.911 1.00 0.53 H new ATOM 0 HA PHE A 86 -9.797 -0.258 -6.377 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.385 -1.810 -5.357 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -7.526 -1.354 -6.815 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -5.892 0.861 -6.331 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -7.083 -2.110 -3.515 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -3.904 1.345 -4.974 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.099 -1.620 -2.157 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.503 0.104 -2.886 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.542 0.222 -3.741 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.838 0.832 -2.451 1.00 0.57 C ATOM 1398 C ARG A 87 -9.372 -0.069 -1.319 1.00 0.57 C ATOM 1399 O ARG A 87 -9.499 -1.281 -1.423 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.354 1.038 -2.302 1.00 0.68 C ATOM 1401 CG ARG A 87 -11.988 1.904 -3.376 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.348 1.086 -4.607 1.00 1.24 C ATOM 1403 NE ARG A 87 -12.672 1.925 -5.758 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.661 2.816 -5.789 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.628 2.771 -4.877 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -13.849 3.524 -6.889 1.00 2.41 N ATOM 0 H ARG A 87 -9.723 -0.781 -3.782 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.318 1.789 -2.404 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.841 0.063 -2.307 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.551 1.488 -1.329 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.884 2.381 -2.979 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.300 2.702 -3.656 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -11.514 0.431 -4.861 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -13.199 0.444 -4.378 1.00 1.24 H new ATOM 0 HE ARG A 87 -12.101 1.821 -6.597 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -14.613 2.053 -4.152 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -15.385 3.454 -4.902 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -13.241 3.383 -7.696 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -14.602 4.211 -6.931 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.869 0.511 -0.229 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.444 -0.295 0.912 1.00 0.54 C ATOM 1422 C ILE A 88 -9.164 0.100 2.199 1.00 0.59 C ATOM 1423 O ILE A 88 -9.143 1.258 2.616 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.919 -0.283 1.151 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.337 1.120 0.957 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.244 -1.303 0.244 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.872 1.238 1.321 1.00 0.74 C ATOM 0 H ILE A 88 -8.748 1.517 -0.114 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.724 -1.313 0.643 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.725 -0.565 2.186 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.466 1.414 -0.085 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.908 1.825 1.561 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.168 -1.289 0.418 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.634 -2.297 0.461 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.446 -1.054 -0.798 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.537 2.262 1.155 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.736 0.977 2.370 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.287 0.560 0.700 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.795 -0.894 2.823 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.522 -0.705 4.072 1.00 0.74 C ATOM 1441 C LYS A 89 -10.148 -1.797 5.059 1.00 0.85 C ATOM 1442 O LYS A 89 -10.375 -2.981 4.784 1.00 0.96 O ATOM 1443 CB LYS A 89 -12.049 -0.772 3.874 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.627 0.267 2.931 1.00 1.31 C ATOM 1445 CD LYS A 89 -14.154 0.298 2.982 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.673 0.694 4.356 1.00 1.89 C ATOM 1447 NZ LYS A 89 -16.140 0.934 4.347 1.00 2.46 N ATOM 0 H LYS A 89 -9.815 -1.852 2.474 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.250 0.283 4.444 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.307 -1.762 3.499 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.530 -0.664 4.846 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.235 1.250 3.191 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.302 0.053 1.913 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.527 1.002 2.238 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.545 -0.684 2.716 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.438 -0.093 5.073 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.160 1.595 4.692 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -16.575 0.458 5.163 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.325 1.956 4.404 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -16.548 0.556 3.468 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.596 -1.434 6.223 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.229 -2.397 7.267 1.00 1.30 C ATOM 1463 C PRO A 90 -10.492 -2.920 7.949 1.00 1.47 C ATOM 1464 O PRO A 90 -10.747 -2.656 9.128 1.00 1.94 O ATOM 1465 CB PRO A 90 -8.387 -1.562 8.245 1.00 1.59 C ATOM 1466 CG PRO A 90 -8.103 -0.287 7.522 1.00 1.77 C ATOM 1467 CD PRO A 90 -9.291 -0.062 6.638 1.00 1.29 C ATOM 0 HA PRO A 90 -8.692 -3.267 6.890 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -8.928 -1.377 9.173 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -7.465 -2.078 8.511 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -7.970 0.540 8.220 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -7.186 -0.362 6.937 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -10.121 0.401 7.172 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.058 0.583 5.791 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.307 -3.603 7.159 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.588 -4.120 7.604 1.00 1.72 C ATOM 1477 C LYS A 91 -12.599 -5.650 7.662 1.00 2.02 C ATOM 1478 O LYS A 91 -12.794 -6.228 8.731 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.674 -3.589 6.645 1.00 1.95 C ATOM 1480 CG LYS A 91 -15.114 -3.900 7.038 1.00 2.50 C ATOM 1481 CD LYS A 91 -15.566 -5.283 6.576 1.00 2.94 C ATOM 1482 CE LYS A 91 -17.074 -5.459 6.717 1.00 3.58 C ATOM 1483 NZ LYS A 91 -17.513 -6.844 6.402 1.00 4.13 N ATOM 0 H LYS A 91 -11.094 -3.814 6.184 1.00 1.40 H new ATOM 0 HA LYS A 91 -12.784 -3.779 8.620 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -13.564 -2.507 6.565 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -13.490 -4.002 5.653 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -15.213 -3.833 8.121 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -15.774 -3.145 6.611 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -15.278 -5.431 5.535 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.054 -6.047 7.160 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -17.373 -5.208 7.735 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -17.583 -4.759 6.054 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -18.545 -6.915 6.512 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -17.252 -7.076 5.422 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.049 -7.511 7.051 1.00 4.13 H new ATOM 1497 N ASP A 92 -12.414 -6.302 6.514 1.00 2.34 N ATOM 1498 CA ASP A 92 -12.440 -7.770 6.449 1.00 2.92 C ATOM 1499 C ASP A 92 -11.096 -8.382 6.829 1.00 2.79 C ATOM 1500 O ASP A 92 -10.565 -9.241 6.120 1.00 3.27 O ATOM 1501 CB ASP A 92 -12.836 -8.233 5.044 1.00 3.81 C ATOM 1502 CG ASP A 92 -13.447 -9.625 5.038 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -14.485 -9.825 5.705 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -12.912 -10.521 4.358 1.00 5.11 O ATOM 0 H ASP A 92 -12.245 -5.843 5.619 1.00 2.34 H new ATOM 0 HA ASP A 92 -13.181 -8.112 7.171 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -13.549 -7.526 4.620 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -11.956 -8.224 4.401 1.00 3.81 H new ATOM 1509 N PHE A 93 -10.557 -7.950 7.955 1.00 2.71 N ATOM 1510 CA PHE A 93 -9.285 -8.457 8.449 1.00 2.95 C ATOM 1511 C PHE A 93 -9.043 -7.926 9.855 1.00 3.05 C ATOM 1512 O PHE A 93 -8.865 -6.722 10.058 1.00 3.30 O ATOM 1513 CB PHE A 93 -8.143 -8.071 7.499 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.895 -8.881 7.685 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -6.008 -8.598 8.711 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -6.611 -9.932 6.829 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -4.859 -9.348 8.879 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -5.466 -10.686 6.990 1.00 5.30 C ATOM 1519 CZ PHE A 93 -4.588 -10.393 8.018 1.00 5.69 C ATOM 0 H PHE A 93 -10.984 -7.242 8.552 1.00 2.71 H new ATOM 0 HA PHE A 93 -9.319 -9.546 8.489 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -8.486 -8.182 6.471 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -7.905 -7.017 7.643 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -6.217 -7.782 9.387 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -7.294 -10.165 6.025 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -4.175 -9.117 9.682 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -5.256 -11.503 6.315 1.00 5.30 H new ATOM 0 HZ PHE A 93 -3.691 -10.981 8.147 1.00 5.69 H new ATOM 1529 N GLU A 94 -9.074 -8.829 10.824 1.00 3.44 N ATOM 1530 CA GLU A 94 -8.884 -8.475 12.223 1.00 3.96 C ATOM 1531 C GLU A 94 -7.424 -8.162 12.520 1.00 3.75 C ATOM 1532 O GLU A 94 -6.533 -8.558 11.768 1.00 4.15 O ATOM 1533 CB GLU A 94 -9.375 -9.611 13.117 1.00 4.82 C ATOM 1534 CG GLU A 94 -8.764 -10.958 12.765 1.00 5.73 C ATOM 1535 CD GLU A 94 -9.355 -12.102 13.558 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -10.218 -11.851 14.421 1.00 7.20 O ATOM 1537 OE2 GLU A 94 -8.965 -13.264 13.313 1.00 6.69 O ATOM 0 H GLU A 94 -9.231 -9.824 10.664 1.00 3.44 H new ATOM 0 HA GLU A 94 -9.466 -7.577 12.430 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -9.142 -9.374 14.155 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -10.460 -9.681 13.042 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -8.907 -11.149 11.701 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -7.689 -10.920 12.940 1.00 5.73 H new ATOM 1544 N THR A 95 -7.213 -7.431 13.610 1.00 3.56 N ATOM 1545 CA THR A 95 -5.887 -7.005 14.061 1.00 3.57 C ATOM 1546 C THR A 95 -5.394 -5.840 13.207 1.00 3.11 C ATOM 1547 O THR A 95 -4.288 -5.332 13.385 1.00 3.46 O ATOM 1548 CB THR A 95 -4.871 -8.166 14.073 1.00 4.37 C ATOM 1549 OG1 THR A 95 -5.467 -9.348 14.589 1.00 4.92 O ATOM 1550 CG2 THR A 95 -3.646 -7.881 14.925 1.00 4.79 C ATOM 0 H THR A 95 -7.969 -7.112 14.216 1.00 3.56 H new ATOM 0 HA THR A 95 -5.978 -6.668 15.094 1.00 3.57 H new ATOM 0 HB THR A 95 -4.563 -8.289 13.035 1.00 4.37 H new ATOM 0 HG1 THR A 95 -4.809 -10.074 14.587 1.00 4.92 H new ATOM 0 HG21 THR A 95 -2.972 -8.737 14.891 1.00 4.79 H new ATOM 0 HG22 THR A 95 -3.133 -6.999 14.541 1.00 4.79 H new ATOM 0 HG23 THR A 95 -3.953 -7.702 15.955 1.00 4.79 H new ATOM 1558 N SER A 96 -6.248 -5.396 12.305 1.00 2.83 N ATOM 1559 CA SER A 96 -5.928 -4.273 11.443 1.00 2.92 C ATOM 1560 C SER A 96 -6.740 -3.042 11.854 1.00 2.63 C ATOM 1561 O SER A 96 -6.671 -1.998 11.209 1.00 2.95 O ATOM 1562 CB SER A 96 -6.151 -4.638 9.969 1.00 3.49 C ATOM 1563 OG SER A 96 -5.150 -5.538 9.516 1.00 4.05 O ATOM 0 H SER A 96 -7.173 -5.797 12.149 1.00 2.83 H new ATOM 0 HA SER A 96 -4.872 -4.029 11.558 1.00 2.92 H new ATOM 0 HB2 SER A 96 -7.135 -5.090 9.846 1.00 3.49 H new ATOM 0 HB3 SER A 96 -6.137 -3.734 9.360 1.00 3.49 H new ATOM 0 HG SER A 96 -4.480 -5.047 8.996 1.00 4.05 H new ATOM 1569 N GLU A 97 -7.478 -3.160 12.966 1.00 2.52 N ATOM 1570 CA GLU A 97 -8.260 -2.038 13.490 1.00 2.71 C ATOM 1571 C GLU A 97 -7.301 -0.957 13.958 1.00 2.41 C ATOM 1572 O GLU A 97 -7.383 0.200 13.541 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.156 -2.448 14.670 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.150 -3.563 14.375 1.00 3.93 C ATOM 1575 CD GLU A 97 -9.549 -4.946 14.505 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -9.027 -5.277 15.590 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -9.607 -5.710 13.526 1.00 4.86 O ATOM 0 H GLU A 97 -7.548 -4.017 13.515 1.00 2.52 H new ATOM 0 HA GLU A 97 -8.909 -1.680 12.690 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -8.519 -2.761 15.497 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.708 -1.571 15.007 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -10.997 -3.476 15.056 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -10.539 -3.436 13.365 1.00 3.93 H new ATOM 1584 N TYR A 98 -6.381 -1.362 14.826 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.375 -0.462 15.363 1.00 1.95 C ATOM 1586 C TYR A 98 -4.511 0.079 14.233 1.00 1.56 C ATOM 1587 O TYR A 98 -4.246 1.280 14.154 1.00 1.45 O ATOM 1588 CB TYR A 98 -4.493 -1.194 16.371 1.00 2.16 C ATOM 1589 CG TYR A 98 -3.446 -0.309 17.004 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -3.809 0.766 17.803 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -2.096 -0.545 16.786 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -2.852 1.583 18.368 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -1.133 0.265 17.351 1.00 4.46 C ATOM 1594 CZ TYR A 98 -1.514 1.327 18.140 1.00 4.66 C ATOM 1595 OH TYR A 98 -0.559 2.146 18.697 1.00 5.65 O ATOM 0 H TYR A 98 -6.314 -2.318 15.174 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.878 0.364 15.865 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -5.122 -1.617 17.154 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -4.000 -2.029 15.873 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -4.855 0.966 17.985 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -1.795 -1.375 16.165 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -3.147 2.418 18.985 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -0.086 0.067 17.175 1.00 4.46 H new ATOM 0 HH TYR A 98 0.333 1.830 18.442 1.00 5.65 H new ATOM 1605 N VAL A 99 -4.061 -0.824 13.369 1.00 1.54 N ATOM 1606 CA VAL A 99 -3.206 -0.471 12.245 1.00 1.34 C ATOM 1607 C VAL A 99 -3.907 0.514 11.313 1.00 1.17 C ATOM 1608 O VAL A 99 -3.259 1.342 10.669 1.00 1.04 O ATOM 1609 CB VAL A 99 -2.814 -1.735 11.452 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -1.698 -1.427 10.471 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -2.404 -2.853 12.398 1.00 1.91 C ATOM 0 H VAL A 99 -4.279 -1.819 13.429 1.00 1.54 H new ATOM 0 HA VAL A 99 -2.308 0.001 12.644 1.00 1.34 H new ATOM 0 HB VAL A 99 -3.684 -2.068 10.885 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -1.436 -2.331 9.922 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -2.030 -0.661 9.771 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -0.825 -1.067 11.015 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -2.131 -3.736 11.821 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -1.550 -2.531 12.994 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -3.237 -3.094 13.059 1.00 1.91 H new ATOM 1621 N ARG A 100 -5.234 0.443 11.278 1.00 1.36 N ATOM 1622 CA ARG A 100 -6.037 1.345 10.461 1.00 1.42 C ATOM 1623 C ARG A 100 -5.791 2.787 10.874 1.00 1.31 C ATOM 1624 O ARG A 100 -5.691 3.681 10.032 1.00 1.31 O ATOM 1625 CB ARG A 100 -7.519 1.005 10.607 1.00 1.78 C ATOM 1626 CG ARG A 100 -8.452 2.095 10.113 1.00 2.37 C ATOM 1627 CD ARG A 100 -9.909 1.765 10.405 1.00 3.01 C ATOM 1628 NE ARG A 100 -10.112 1.300 11.776 1.00 3.48 N ATOM 1629 CZ ARG A 100 -11.311 1.148 12.332 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -12.354 1.772 11.802 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -11.405 0.665 13.563 1.00 4.93 N ATOM 0 H ARG A 100 -5.779 -0.235 11.810 1.00 1.36 H new ATOM 0 HA ARG A 100 -5.747 1.224 9.417 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -7.727 0.086 10.058 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.734 0.805 11.657 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -8.191 3.040 10.588 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -8.318 2.230 9.040 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -10.521 2.650 10.230 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -10.251 0.998 9.710 1.00 3.01 H new ATOM 0 HE ARG A 100 -9.289 1.080 12.337 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -12.232 2.360 10.978 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -13.279 1.664 12.219 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -10.561 0.413 14.078 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -12.321 0.546 13.996 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.678 2.998 12.176 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.434 4.327 12.716 1.00 1.43 C ATOM 1647 C LYS A 101 -4.077 4.850 12.265 1.00 1.27 C ATOM 1648 O LYS A 101 -3.929 6.035 11.954 1.00 1.40 O ATOM 1649 CB LYS A 101 -5.509 4.300 14.238 1.00 1.68 C ATOM 1650 CG LYS A 101 -6.887 3.948 14.763 1.00 2.35 C ATOM 1651 CD LYS A 101 -6.937 3.968 16.279 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.311 3.572 16.789 1.00 2.79 C ATOM 1653 NZ LYS A 101 -8.362 3.526 18.273 1.00 3.24 N ATOM 0 H LYS A 101 -5.752 2.264 12.880 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.205 4.998 12.337 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -4.787 3.577 14.618 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.218 5.276 14.627 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -7.618 4.653 14.366 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.171 2.959 14.403 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -6.187 3.285 16.679 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -6.686 4.965 16.641 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.052 4.282 16.423 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.579 2.595 16.387 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -9.317 3.252 18.579 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -7.673 2.830 18.623 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -8.131 4.464 18.658 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.095 3.960 12.211 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.759 4.333 11.773 1.00 1.11 C ATOM 1669 C ALA A 102 -1.791 4.732 10.311 1.00 0.99 C ATOM 1670 O ALA A 102 -1.644 5.904 9.990 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.777 3.193 11.986 1.00 1.22 C ATOM 0 H ALA A 102 -3.199 2.978 12.465 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.424 5.181 12.370 1.00 1.11 H new ATOM 0 HB1 ALA A 102 0.214 3.499 11.650 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -0.739 2.939 13.045 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.101 2.322 11.416 1.00 1.22 H new ATOM 1677 N TRP A 103 -1.948 3.732 9.443 1.00 0.97 N ATOM 1678 CA TRP A 103 -1.972 3.925 7.989 1.00 1.01 C ATOM 1679 C TRP A 103 -2.753 5.169 7.587 1.00 0.93 C ATOM 1680 O TRP A 103 -2.321 5.905 6.716 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.532 2.690 7.274 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.559 1.549 7.222 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.057 0.851 8.281 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.949 0.989 6.053 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.176 -0.107 7.842 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.096 -0.043 6.482 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.042 1.249 4.686 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.659 -0.797 5.596 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.283 0.493 3.815 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.551 -0.516 4.277 1.00 0.98 C ATOM 0 H TRP A 103 -2.063 2.759 9.728 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.938 4.069 7.676 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.439 2.363 7.782 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -2.817 2.964 6.258 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.315 1.026 9.315 1.00 0.69 H new ATOM 0 HE1 TRP A 103 0.335 -0.760 8.436 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.695 2.026 4.316 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 1.312 -1.583 5.947 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.339 0.690 2.755 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.127 -1.090 3.567 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.881 5.413 8.239 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.684 6.582 7.951 1.00 1.12 C ATOM 1703 C LEU A 104 -3.840 7.842 8.100 1.00 1.10 C ATOM 1704 O LEU A 104 -3.640 8.605 7.154 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.826 6.645 8.949 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.968 7.569 8.574 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -7.709 6.963 7.410 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -7.880 7.783 9.767 1.00 2.27 C ATOM 0 H LEU A 104 -4.257 4.812 8.972 1.00 0.95 H new ATOM 0 HA LEU A 104 -5.065 6.517 6.932 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -6.224 5.639 9.084 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.427 6.961 9.913 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.586 8.547 8.280 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.535 7.615 7.126 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -7.029 6.849 6.565 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -8.099 5.986 7.696 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -8.697 8.448 9.486 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -8.287 6.825 10.090 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -7.312 8.230 10.583 1.00 2.27 H new ATOM 1720 N ARG A 105 -3.357 8.033 9.310 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.538 9.186 9.646 1.00 1.18 C ATOM 1722 C ARG A 105 -1.198 9.152 8.912 1.00 1.08 C ATOM 1723 O ARG A 105 -0.686 10.190 8.500 1.00 1.21 O ATOM 1724 CB ARG A 105 -2.302 9.263 11.151 1.00 1.38 C ATOM 1725 CG ARG A 105 -1.392 10.416 11.535 1.00 2.01 C ATOM 1726 CD ARG A 105 -0.794 10.255 12.917 1.00 2.29 C ATOM 1727 NE ARG A 105 0.308 11.195 13.117 1.00 2.86 N ATOM 1728 CZ ARG A 105 1.126 11.182 14.163 1.00 3.68 C ATOM 1729 NH1 ARG A 105 0.855 10.423 15.214 1.00 4.09 N ATOM 1730 NH2 ARG A 105 2.130 12.045 14.224 1.00 4.52 N ATOM 0 H ARG A 105 -3.519 7.396 10.090 1.00 1.01 H new ATOM 0 HA ARG A 105 -3.082 10.075 9.326 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -3.259 9.373 11.661 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.863 8.327 11.496 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -0.588 10.498 10.803 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -1.956 11.348 11.494 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.562 10.421 13.672 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -0.435 9.234 13.047 1.00 2.29 H new ATOM 0 HE ARG A 105 0.459 11.909 12.405 1.00 2.86 H new ATOM 0 HH11 ARG A 105 0.015 9.845 15.222 1.00 4.09 H new ATOM 0 HH12 ARG A 105 1.487 10.417 16.015 1.00 4.09 H new ATOM 0 HH21 ARG A 105 2.272 12.716 13.469 1.00 4.52 H new ATOM 0 HH22 ARG A 105 2.760 12.038 15.026 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.641 7.959 8.736 1.00 0.95 N ATOM 1745 CA ASP A 106 0.640 7.795 8.043 1.00 0.99 C ATOM 1746 C ASP A 106 0.502 8.139 6.568 1.00 0.96 C ATOM 1747 O ASP A 106 1.485 8.268 5.845 1.00 1.17 O ATOM 1748 CB ASP A 106 1.162 6.368 8.181 1.00 1.09 C ATOM 1749 CG ASP A 106 2.659 6.334 8.411 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.414 6.932 7.616 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.088 5.715 9.402 1.00 1.76 O ATOM 0 H ASP A 106 -1.055 7.086 9.063 1.00 0.95 H new ATOM 0 HA ASP A 106 1.352 8.478 8.508 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.656 5.875 9.011 1.00 1.09 H new ATOM 0 HB3 ASP A 106 0.920 5.804 7.280 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.735 8.294 6.138 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.048 8.634 4.765 1.00 1.04 C ATOM 1758 C ILE A 107 -1.410 10.113 4.666 1.00 1.23 C ATOM 1759 O ILE A 107 -1.130 10.777 3.664 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.201 7.760 4.238 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.678 6.368 3.864 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -2.871 8.419 3.053 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -2.764 5.384 3.469 1.00 1.45 C ATOM 0 H ILE A 107 -1.555 8.187 6.735 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.170 8.444 4.148 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.945 7.650 5.027 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -0.973 6.466 3.038 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.123 5.961 4.709 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.683 7.786 2.695 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.271 9.387 3.353 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.142 8.560 2.255 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -2.312 4.424 3.219 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -3.457 5.254 4.300 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -3.304 5.767 2.603 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.979 10.640 5.745 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.330 12.053 5.824 1.00 1.52 C ATOM 1777 C ALA A 108 -1.054 12.876 5.973 1.00 1.59 C ATOM 1778 O ALA A 108 -1.039 14.098 5.827 1.00 1.92 O ATOM 1779 CB ALA A 108 -3.271 12.294 6.991 1.00 1.62 C ATOM 0 H ALA A 108 -2.208 10.105 6.583 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.844 12.357 4.912 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.526 13.353 7.040 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -4.179 11.708 6.853 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.784 11.995 7.919 1.00 1.62 H new ATOM 1785 N GLU A 109 0.014 12.153 6.255 1.00 1.39 N ATOM 1786 CA GLU A 109 1.345 12.696 6.430 1.00 1.50 C ATOM 1787 C GLU A 109 2.323 11.540 6.378 1.00 1.43 C ATOM 1788 O GLU A 109 2.694 10.965 7.404 1.00 1.70 O ATOM 1789 CB GLU A 109 1.475 13.471 7.748 1.00 1.69 C ATOM 1790 CG GLU A 109 0.770 12.836 8.941 1.00 1.73 C ATOM 1791 CD GLU A 109 1.084 13.551 10.238 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.876 14.517 10.212 1.00 2.56 O ATOM 1793 OE2 GLU A 109 0.549 13.153 11.293 1.00 2.40 O ATOM 0 H GLU A 109 -0.024 11.140 6.372 1.00 1.39 H new ATOM 0 HA GLU A 109 1.558 13.411 5.635 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.533 13.579 7.986 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.077 14.475 7.602 1.00 1.69 H new ATOM 0 HG2 GLU A 109 -0.307 12.848 8.773 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.068 11.791 9.023 1.00 1.73 H new ATOM 1800 N GLU A 110 2.702 11.176 5.161 1.00 1.49 N ATOM 1801 CA GLU A 110 3.594 10.058 4.937 1.00 1.63 C ATOM 1802 C GLU A 110 4.925 10.268 5.646 1.00 1.78 C ATOM 1803 O GLU A 110 5.521 11.346 5.603 1.00 2.20 O ATOM 1804 CB GLU A 110 3.768 9.772 3.431 1.00 2.09 C ATOM 1805 CG GLU A 110 4.349 10.919 2.607 1.00 2.83 C ATOM 1806 CD GLU A 110 3.329 11.971 2.201 1.00 3.38 C ATOM 1807 OE1 GLU A 110 2.823 12.699 3.076 1.00 3.86 O ATOM 1808 OE2 GLU A 110 3.054 12.098 0.993 1.00 3.86 O ATOM 0 H GLU A 110 2.399 11.647 4.309 1.00 1.49 H new ATOM 0 HA GLU A 110 3.139 9.169 5.373 1.00 1.63 H new ATOM 0 HB2 GLU A 110 4.414 8.902 3.317 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.797 9.505 3.015 1.00 2.09 H new ATOM 0 HG2 GLU A 110 5.141 11.399 3.181 1.00 2.83 H new ATOM 0 HG3 GLU A 110 4.810 10.509 1.708 1.00 2.83 H new ATOM 1815 N GLN A 111 5.335 9.224 6.352 1.00 1.93 N ATOM 1816 CA GLN A 111 6.546 9.214 7.167 1.00 2.44 C ATOM 1817 C GLN A 111 7.812 9.558 6.385 1.00 2.84 C ATOM 1818 O GLN A 111 8.840 9.880 6.984 1.00 3.22 O ATOM 1819 CB GLN A 111 6.693 7.832 7.797 1.00 2.97 C ATOM 1820 CG GLN A 111 7.651 7.778 8.969 1.00 3.66 C ATOM 1821 CD GLN A 111 7.691 6.410 9.625 1.00 4.54 C ATOM 1822 OE1 GLN A 111 6.766 5.536 9.248 1.00 5.12 O flip ATOM 1823 NE2 GLN A 111 8.543 6.149 10.478 1.00 5.02 N flip ATOM 0 H GLN A 111 4.826 8.341 6.376 1.00 1.93 H new ATOM 0 HA GLN A 111 6.436 9.990 7.924 1.00 2.44 H new ATOM 0 HB2 GLN A 111 5.712 7.491 8.129 1.00 2.97 H new ATOM 0 HB3 GLN A 111 7.032 7.132 7.033 1.00 2.97 H new ATOM 0 HG2 GLN A 111 8.652 8.043 8.628 1.00 3.66 H new ATOM 0 HG3 GLN A 111 7.358 8.523 9.708 1.00 3.66 H new ATOM 0 HE21 GLN A 111 9.236 6.851 10.738 1.00 5.02 H new ATOM 0 HE22 GLN A 111 8.555 5.231 10.923 1.00 5.02 H new ATOM 1832 N GLU A 112 7.758 9.489 5.064 1.00 3.29 N ATOM 1833 CA GLU A 112 8.931 9.788 4.253 1.00 4.12 C ATOM 1834 C GLU A 112 9.374 11.250 4.357 1.00 4.19 C ATOM 1835 O GLU A 112 10.422 11.613 3.841 1.00 4.69 O ATOM 1836 CB GLU A 112 8.715 9.372 2.803 1.00 5.03 C ATOM 1837 CG GLU A 112 9.007 7.896 2.564 1.00 5.36 C ATOM 1838 CD GLU A 112 10.354 7.464 3.125 1.00 6.31 C ATOM 1839 OE1 GLU A 112 10.456 7.276 4.355 1.00 6.81 O ATOM 1840 OE2 GLU A 112 11.320 7.337 2.342 1.00 6.83 O ATOM 0 H GLU A 112 6.925 9.232 4.534 1.00 3.29 H new ATOM 0 HA GLU A 112 9.750 9.195 4.660 1.00 4.12 H new ATOM 0 HB2 GLU A 112 7.685 9.585 2.518 1.00 5.03 H new ATOM 0 HB3 GLU A 112 9.355 9.974 2.158 1.00 5.03 H new ATOM 0 HG2 GLU A 112 8.219 7.296 3.020 1.00 5.36 H new ATOM 0 HG3 GLU A 112 8.983 7.694 1.493 1.00 5.36 H new ATOM 1847 N LYS A 113 8.608 12.076 5.063 1.00 3.97 N ATOM 1848 CA LYS A 113 8.984 13.474 5.263 1.00 4.36 C ATOM 1849 C LYS A 113 10.182 13.552 6.202 1.00 4.15 C ATOM 1850 O LYS A 113 10.889 14.559 6.252 1.00 4.65 O ATOM 1851 CB LYS A 113 7.831 14.275 5.876 1.00 4.79 C ATOM 1852 CG LYS A 113 6.537 14.191 5.090 1.00 5.55 C ATOM 1853 CD LYS A 113 6.789 14.368 3.607 1.00 5.63 C ATOM 1854 CE LYS A 113 5.503 14.313 2.796 1.00 6.48 C ATOM 1855 NZ LYS A 113 4.361 15.019 3.452 1.00 7.06 N ATOM 0 H LYS A 113 7.729 11.806 5.504 1.00 3.97 H new ATOM 0 HA LYS A 113 9.232 13.897 4.290 1.00 4.36 H new ATOM 0 HB2 LYS A 113 7.652 13.917 6.890 1.00 4.79 H new ATOM 0 HB3 LYS A 113 8.130 15.320 5.955 1.00 4.79 H new ATOM 0 HG2 LYS A 113 6.061 13.227 5.269 1.00 5.55 H new ATOM 0 HG3 LYS A 113 5.845 14.958 5.439 1.00 5.55 H new ATOM 0 HD2 LYS A 113 7.284 15.324 3.436 1.00 5.63 H new ATOM 0 HD3 LYS A 113 7.469 13.590 3.260 1.00 5.63 H new ATOM 0 HE2 LYS A 113 5.680 14.756 1.816 1.00 6.48 H new ATOM 0 HE3 LYS A 113 5.230 13.271 2.630 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 3.685 15.334 2.727 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 3.885 14.371 4.112 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 4.717 15.845 3.975 1.00 7.06 H new ATOM 1869 N TYR A 114 10.385 12.473 6.955 1.00 3.80 N ATOM 1870 CA TYR A 114 11.473 12.392 7.914 1.00 4.21 C ATOM 1871 C TYR A 114 12.832 12.396 7.221 1.00 4.57 C ATOM 1872 O TYR A 114 13.777 13.024 7.701 1.00 5.17 O ATOM 1873 CB TYR A 114 11.331 11.139 8.783 1.00 4.58 C ATOM 1874 CG TYR A 114 12.251 11.146 9.977 1.00 5.45 C ATOM 1875 CD1 TYR A 114 12.126 12.126 10.951 1.00 5.90 C ATOM 1876 CD2 TYR A 114 13.250 10.194 10.125 1.00 6.18 C ATOM 1877 CE1 TYR A 114 12.972 12.161 12.039 1.00 6.94 C ATOM 1878 CE2 TYR A 114 14.098 10.220 11.214 1.00 7.17 C ATOM 1879 CZ TYR A 114 13.958 11.206 12.166 1.00 7.49 C ATOM 1880 OH TYR A 114 14.811 11.242 13.245 1.00 8.62 O ATOM 0 H TYR A 114 9.801 11.638 6.915 1.00 3.80 H new ATOM 0 HA TYR A 114 11.416 13.275 8.550 1.00 4.21 H new ATOM 0 HB2 TYR A 114 10.300 11.056 9.126 1.00 4.58 H new ATOM 0 HB3 TYR A 114 11.538 10.257 8.177 1.00 4.58 H new ATOM 0 HD1 TYR A 114 11.353 12.874 10.855 1.00 5.90 H new ATOM 0 HD2 TYR A 114 13.366 9.422 9.378 1.00 6.18 H new ATOM 0 HE1 TYR A 114 12.863 12.932 12.787 1.00 6.94 H new ATOM 0 HE2 TYR A 114 14.868 9.470 11.319 1.00 7.17 H new ATOM 0 HH TYR A 114 15.446 10.498 13.185 1.00 8.62 H new ATOM 1890 N ALA A 115 12.939 11.689 6.105 1.00 4.51 N ATOM 1891 CA ALA A 115 14.201 11.623 5.382 1.00 5.16 C ATOM 1892 C ALA A 115 14.038 11.993 3.912 1.00 5.46 C ATOM 1893 O ALA A 115 14.820 12.787 3.384 1.00 5.73 O ATOM 1894 CB ALA A 115 14.819 10.241 5.515 1.00 5.63 C ATOM 0 H ALA A 115 12.176 11.158 5.684 1.00 4.51 H new ATOM 0 HA ALA A 115 14.871 12.357 5.831 1.00 5.16 H new ATOM 0 HB1 ALA A 115 15.762 10.210 4.968 1.00 5.63 H new ATOM 0 HB2 ALA A 115 15.002 10.024 6.567 1.00 5.63 H new ATOM 0 HB3 ALA A 115 14.137 9.496 5.105 1.00 5.63 H new ATOM 1900 N ALA A 116 13.032 11.412 3.259 1.00 5.86 N ATOM 1901 CA ALA A 116 12.760 11.667 1.842 1.00 6.58 C ATOM 1902 C ALA A 116 13.940 11.228 0.979 1.00 7.22 C ATOM 1903 O ALA A 116 14.158 10.034 0.776 1.00 7.70 O ATOM 1904 CB ALA A 116 12.425 13.139 1.612 1.00 7.03 C ATOM 0 H ALA A 116 12.385 10.754 3.693 1.00 5.86 H new ATOM 0 HA ALA A 116 11.892 11.077 1.547 1.00 6.58 H new ATOM 0 HB1 ALA A 116 12.227 13.306 0.553 1.00 7.03 H new ATOM 0 HB2 ALA A 116 11.542 13.406 2.193 1.00 7.03 H new ATOM 0 HB3 ALA A 116 13.267 13.757 1.925 1.00 7.03 H new ATOM 1910 N GLU A 117 14.715 12.185 0.494 1.00 7.53 N ATOM 1911 CA GLU A 117 15.880 11.871 -0.315 1.00 8.41 C ATOM 1912 C GLU A 117 17.155 12.211 0.442 1.00 9.09 C ATOM 1913 O GLU A 117 17.264 13.274 1.058 1.00 9.58 O ATOM 1914 CB GLU A 117 15.847 12.599 -1.659 1.00 8.83 C ATOM 1915 CG GLU A 117 15.020 11.893 -2.722 1.00 9.18 C ATOM 1916 CD GLU A 117 15.143 12.557 -4.073 1.00 9.82 C ATOM 1917 OE1 GLU A 117 16.285 12.798 -4.515 1.00 10.40 O ATOM 1918 OE2 GLU A 117 14.104 12.844 -4.700 1.00 9.94 O ATOM 0 H GLU A 117 14.559 13.181 0.646 1.00 7.53 H new ATOM 0 HA GLU A 117 15.863 10.801 -0.520 1.00 8.41 H new ATOM 0 HB2 GLU A 117 15.447 13.602 -1.508 1.00 8.83 H new ATOM 0 HB3 GLU A 117 16.868 12.714 -2.024 1.00 8.83 H new ATOM 0 HG2 GLU A 117 15.340 10.854 -2.799 1.00 9.18 H new ATOM 0 HG3 GLU A 117 13.973 11.882 -2.418 1.00 9.18 H new ATOM 1925 N ARG A 118 18.106 11.294 0.402 1.00 9.35 N ATOM 1926 CA ARG A 118 19.376 11.465 1.084 1.00 10.23 C ATOM 1927 C ARG A 118 20.410 12.027 0.118 1.00 10.76 C ATOM 1928 O ARG A 118 20.199 12.028 -1.096 1.00 11.00 O ATOM 1929 CB ARG A 118 19.859 10.128 1.648 1.00 10.61 C ATOM 1930 CG ARG A 118 20.952 10.267 2.693 1.00 11.18 C ATOM 1931 CD ARG A 118 21.633 8.941 2.978 1.00 11.87 C ATOM 1932 NE ARG A 118 22.565 9.039 4.095 1.00 12.16 N ATOM 1933 CZ ARG A 118 23.537 8.163 4.327 1.00 12.66 C ATOM 1934 NH1 ARG A 118 24.025 7.459 3.314 1.00 12.91 N ATOM 1935 NH2 ARG A 118 24.267 8.294 5.421 1.00 13.09 N ATOM 0 H ARG A 118 18.020 10.412 -0.103 1.00 9.35 H new ATOM 0 HA ARG A 118 19.241 12.164 1.909 1.00 10.23 H new ATOM 0 HB2 ARG A 118 19.012 9.602 2.088 1.00 10.61 H new ATOM 0 HB3 ARG A 118 20.227 9.510 0.829 1.00 10.61 H new ATOM 0 HG2 ARG A 118 21.693 10.989 2.350 1.00 11.18 H new ATOM 0 HG3 ARG A 118 20.525 10.662 3.615 1.00 11.18 H new ATOM 0 HD2 ARG A 118 20.879 8.186 3.199 1.00 11.87 H new ATOM 0 HD3 ARG A 118 22.167 8.608 2.088 1.00 11.87 H new ATOM 0 HE ARG A 118 22.465 9.826 4.736 1.00 12.16 H new ATOM 0 HH11 ARG A 118 23.654 7.594 2.374 1.00 12.91 H new ATOM 0 HH12 ARG A 118 24.771 6.783 3.476 1.00 12.91 H new ATOM 0 HH21 ARG A 118 24.080 9.058 6.070 1.00 13.09 H new ATOM 0 HH22 ARG A 118 25.017 7.631 5.616 1.00 13.09 H new ATOM 1949 N ASP A 119 21.516 12.498 0.658 1.00 11.16 N ATOM 1950 CA ASP A 119 22.582 13.065 -0.144 1.00 11.89 C ATOM 1951 C ASP A 119 23.923 12.804 0.524 1.00 12.21 C ATOM 1952 O ASP A 119 24.969 13.016 -0.123 1.00 0.00 O ATOM 1953 CB ASP A 119 22.352 14.566 -0.332 1.00 12.51 C ATOM 1954 CG ASP A 119 22.159 15.303 0.981 1.00 13.33 C ATOM 1955 OD1 ASP A 119 23.106 15.358 1.793 1.00 13.70 O ATOM 1956 OD2 ASP A 119 21.050 15.836 1.207 1.00 13.75 O ATOM 1957 OXT ASP A 119 23.920 12.370 1.699 1.00 0.00 O ATOM 0 H ASP A 119 21.701 12.499 1.661 1.00 11.16 H new ATOM 0 HA ASP A 119 22.586 12.593 -1.126 1.00 11.89 H new ATOM 0 HB2 ASP A 119 23.202 14.995 -0.862 1.00 12.51 H new ATOM 0 HB3 ASP A 119 21.475 14.718 -0.961 1.00 12.51 H new TER 1962 ASP A 119