USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 469 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 8 MET CE :methyl 180:sc= -0.134 (180deg=-0.134) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.131 K(o=0.13,f=-0.84) USER MOD Set 2.2: A 64 ASN : amide:sc= 0.261 X(o=0.13,f=-0.37) USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= 0.102 USER MOD Set 3.2: A 61 MET CE :methyl -122:sc= -0.219 (180deg=-4.86!) USER MOD Set 3.3: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.0502 K(o=0.05,f=-3.8!) USER MOD Single : A 5 MET CE :methyl 163:sc=-0.00437 (180deg=-0.424) USER MOD Single : A 11 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.03) USER MOD Single : A 14 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 21 GLN : amide:sc= -0.053 K(o=-0.053,f=-0.67) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00883! X(o=-0.0088!,f=-0.17) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 53 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.22) USER MOD Single : A 55 GLN : amide:sc= -0.0497 K(o=-0.05,f=-3.8!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 66 HIS : no HD1:sc= -0.375 X(o=-0.38,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.0938 K(o=0.094,f=-2.9!) USER MOD Single : A 73 GLN : amide:sc= -0.895 K(o=-0.9,f=-0.0079) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -160:sc= -1.13 (180deg=-2.35) USER MOD Single : A 78 HIS : no HD1:sc= -0.979 K(o=-0.98,f=-1.8!) USER MOD Single : A 80 SER OG : rot -143:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -4.625 8.338 -0.816 1.00 23.53 N ATOM 12 CA ASN A 2 -4.293 7.863 0.524 1.00 34.42 C ATOM 13 C ASN A 2 -4.072 6.339 0.520 1.00 70.25 C ATOM 14 O ASN A 2 -4.195 5.690 1.553 1.00 64.22 O ATOM 15 CB ASN A 2 -5.446 8.339 1.420 1.00 33.52 C ATOM 16 CG ASN A 2 -5.367 7.921 2.867 1.00 50.04 C ATOM 17 OD1 ASN A 2 -4.600 8.489 3.632 1.00 52.34 O ATOM 18 ND2 ASN A 2 -6.206 6.995 3.276 1.00 73.34 N ATOM 0 HA ASN A 2 -3.353 8.262 0.904 1.00 34.42 H new ATOM 0 HB2 ASN A 2 -5.489 9.427 1.377 1.00 33.52 H new ATOM 0 HB3 ASN A 2 -6.382 7.966 1.004 1.00 33.52 H new ATOM 0 HD21 ASN A 2 -6.232 6.729 4.260 1.00 73.34 H new ATOM 0 HD22 ASN A 2 -6.831 6.543 2.609 1.00 73.34 H new ATOM 24 N ILE A 3 -3.743 5.742 -0.636 1.00 4.24 N ATOM 25 CA ILE A 3 -3.276 4.359 -0.719 1.00 64.24 C ATOM 26 C ILE A 3 -1.949 4.364 -1.451 1.00 45.05 C ATOM 27 O ILE A 3 -1.834 5.063 -2.461 1.00 2.14 O ATOM 28 CB ILE A 3 -4.314 3.412 -1.377 1.00 10.43 C ATOM 29 CG1 ILE A 3 -5.542 3.364 -0.452 1.00 50.25 C ATOM 30 CG2 ILE A 3 -3.756 1.990 -1.589 1.00 31.44 C ATOM 31 CD1 ILE A 3 -6.685 2.410 -0.817 1.00 64.55 C ATOM 0 H ILE A 3 -3.795 6.211 -1.540 1.00 4.24 H new ATOM 0 HA ILE A 3 -3.143 3.959 0.286 1.00 64.24 H new ATOM 0 HB ILE A 3 -4.573 3.793 -2.365 1.00 10.43 H new ATOM 0 HG12 ILE A 3 -5.196 3.102 0.548 1.00 50.25 H new ATOM 0 HG13 ILE A 3 -5.954 4.371 -0.393 1.00 50.25 H new ATOM 0 HG21 ILE A 3 -4.519 1.365 -2.052 1.00 31.44 H new ATOM 0 HG22 ILE A 3 -2.881 2.035 -2.238 1.00 31.44 H new ATOM 0 HG23 ILE A 3 -3.472 1.563 -0.627 1.00 31.44 H new ATOM 0 HD11 ILE A 3 -7.477 2.489 -0.072 1.00 64.55 H new ATOM 0 HD12 ILE A 3 -7.081 2.675 -1.797 1.00 64.55 H new ATOM 0 HD13 ILE A 3 -6.311 1.387 -0.842 1.00 64.55 H new ATOM 42 N VAL A 4 -0.997 3.567 -0.960 1.00 32.51 N ATOM 43 CA VAL A 4 0.304 3.361 -1.595 1.00 32.40 C ATOM 44 C VAL A 4 0.455 1.863 -1.873 1.00 23.10 C ATOM 45 O VAL A 4 1.147 1.128 -1.168 1.00 22.51 O ATOM 46 CB VAL A 4 1.434 3.999 -0.757 1.00 3.30 C ATOM 47 CG1 VAL A 4 2.693 4.104 -1.629 1.00 3.23 C ATOM 48 CG2 VAL A 4 1.037 5.371 -0.200 1.00 70.45 C ATOM 0 H VAL A 4 -1.112 3.038 -0.095 1.00 32.51 H new ATOM 0 HA VAL A 4 0.376 3.873 -2.554 1.00 32.40 H new ATOM 0 HB VAL A 4 1.631 3.363 0.106 1.00 3.30 H new ATOM 0 HG11 VAL A 4 3.500 4.553 -1.050 1.00 3.23 H new ATOM 0 HG12 VAL A 4 2.992 3.109 -1.957 1.00 3.23 H new ATOM 0 HG13 VAL A 4 2.482 4.725 -2.500 1.00 3.23 H new ATOM 0 HG21 VAL A 4 1.863 5.780 0.382 1.00 70.45 H new ATOM 0 HG22 VAL A 4 0.805 6.045 -1.025 1.00 70.45 H new ATOM 0 HG23 VAL A 4 0.160 5.264 0.439 1.00 70.45 H new ATOM 58 N MET A 5 -0.287 1.382 -2.868 1.00 24.20 N ATOM 59 CA MET A 5 -0.287 -0.026 -3.245 1.00 33.10 C ATOM 60 C MET A 5 1.035 -0.317 -3.948 1.00 64.43 C ATOM 61 O MET A 5 1.642 0.604 -4.507 1.00 31.42 O ATOM 62 CB MET A 5 -1.536 -0.252 -4.105 1.00 54.23 C ATOM 63 CG MET A 5 -1.707 -1.571 -4.863 1.00 25.33 C ATOM 64 SD MET A 5 -0.976 -1.590 -6.517 1.00 34.53 S ATOM 65 CE MET A 5 -1.775 -3.094 -7.139 1.00 44.22 C ATOM 0 H MET A 5 -0.906 1.961 -3.436 1.00 24.20 H new ATOM 0 HA MET A 5 -0.344 -0.717 -2.404 1.00 33.10 H new ATOM 0 HB2 MET A 5 -2.404 -0.135 -3.456 1.00 54.23 H new ATOM 0 HB3 MET A 5 -1.576 0.553 -4.839 1.00 54.23 H new ATOM 0 HG2 MET A 5 -1.262 -2.373 -4.274 1.00 25.33 H new ATOM 0 HG3 MET A 5 -2.771 -1.791 -4.948 1.00 25.33 H new ATOM 0 HE1 MET A 5 -1.700 -3.123 -8.226 1.00 44.22 H new ATOM 0 HE2 MET A 5 -1.281 -3.969 -6.718 1.00 44.22 H new ATOM 0 HE3 MET A 5 -2.825 -3.095 -6.848 1.00 44.22 H new ATOM 73 N LEU A 6 1.491 -1.574 -3.941 1.00 71.21 N ATOM 74 CA LEU A 6 2.863 -1.953 -4.301 1.00 74.31 C ATOM 75 C LEU A 6 2.855 -3.179 -5.215 1.00 73.51 C ATOM 76 O LEU A 6 2.559 -4.265 -4.743 1.00 11.23 O ATOM 77 CB LEU A 6 3.657 -2.281 -3.025 1.00 1.42 C ATOM 78 CG LEU A 6 3.760 -1.181 -1.959 1.00 22.23 C ATOM 79 CD1 LEU A 6 4.526 -1.744 -0.766 1.00 70.52 C ATOM 80 CD2 LEU A 6 4.458 0.083 -2.460 1.00 13.34 C ATOM 0 H LEU A 6 0.908 -2.370 -3.681 1.00 71.21 H new ATOM 0 HA LEU A 6 3.329 -1.120 -4.826 1.00 74.31 H new ATOM 0 HB2 LEU A 6 3.205 -3.158 -2.562 1.00 1.42 H new ATOM 0 HB3 LEU A 6 4.668 -2.561 -3.319 1.00 1.42 H new ATOM 0 HG LEU A 6 2.746 -0.887 -1.686 1.00 22.23 H new ATOM 0 HD11 LEU A 6 4.612 -0.979 0.005 1.00 70.52 H new ATOM 0 HD12 LEU A 6 3.992 -2.606 -0.365 1.00 70.52 H new ATOM 0 HD13 LEU A 6 5.522 -2.051 -1.085 1.00 70.52 H new ATOM 0 HD21 LEU A 6 4.497 0.819 -1.657 1.00 13.34 H new ATOM 0 HD22 LEU A 6 5.472 -0.162 -2.777 1.00 13.34 H new ATOM 0 HD23 LEU A 6 3.904 0.495 -3.303 1.00 13.34 H new ATOM 91 N ARG A 7 3.156 -3.058 -6.514 1.00 65.54 N ATOM 92 CA ARG A 7 2.870 -4.108 -7.527 1.00 50.15 C ATOM 93 C ARG A 7 3.961 -5.154 -7.696 1.00 25.44 C ATOM 94 O ARG A 7 3.843 -6.048 -8.529 1.00 62.45 O ATOM 95 CB ARG A 7 2.616 -3.470 -8.906 1.00 74.42 C ATOM 96 CG ARG A 7 1.334 -2.639 -8.943 1.00 65.13 C ATOM 97 CD ARG A 7 1.324 -1.645 -10.100 1.00 23.41 C ATOM 98 NE ARG A 7 0.759 -2.221 -11.324 1.00 10.01 N ATOM 99 CZ ARG A 7 0.810 -1.694 -12.551 1.00 72.51 C ATOM 100 NH1 ARG A 7 1.510 -0.593 -12.801 1.00 44.05 N ATOM 101 NH2 ARG A 7 0.142 -2.288 -13.528 1.00 73.21 N ATOM 0 H ARG A 7 3.607 -2.230 -6.904 1.00 65.54 H new ATOM 0 HA ARG A 7 1.988 -4.620 -7.142 1.00 50.15 H new ATOM 0 HB2 ARG A 7 3.463 -2.837 -9.170 1.00 74.42 H new ATOM 0 HB3 ARG A 7 2.557 -4.255 -9.660 1.00 74.42 H new ATOM 0 HG2 ARG A 7 0.475 -3.304 -9.030 1.00 65.13 H new ATOM 0 HG3 ARG A 7 1.226 -2.100 -8.002 1.00 65.13 H new ATOM 0 HD2 ARG A 7 0.747 -0.765 -9.815 1.00 23.41 H new ATOM 0 HD3 ARG A 7 2.342 -1.309 -10.296 1.00 23.41 H new ATOM 0 HE ARG A 7 0.278 -3.115 -11.229 1.00 10.01 H new ATOM 0 HH11 ARG A 7 2.022 -0.133 -12.049 1.00 44.05 H new ATOM 0 HH12 ARG A 7 1.535 -0.208 -13.745 1.00 44.05 H new ATOM 0 HH21 ARG A 7 -0.398 -3.132 -13.337 1.00 73.21 H new ATOM 0 HH22 ARG A 7 0.168 -1.902 -14.472 1.00 73.21 H new ATOM 112 N MET A 8 5.056 -4.994 -6.974 1.00 13.42 N ATOM 113 CA MET A 8 6.286 -5.754 -7.158 1.00 63.34 C ATOM 114 C MET A 8 6.836 -6.189 -5.808 1.00 74.15 C ATOM 115 O MET A 8 7.899 -5.736 -5.397 1.00 3.43 O ATOM 116 CB MET A 8 7.294 -4.962 -8.021 1.00 1.32 C ATOM 117 CG MET A 8 6.722 -4.754 -9.426 1.00 53.05 C ATOM 118 SD MET A 8 7.908 -4.492 -10.766 1.00 13.00 S ATOM 119 CE MET A 8 8.123 -2.703 -10.708 1.00 71.13 C ATOM 0 H MET A 8 5.119 -4.311 -6.219 1.00 13.42 H new ATOM 0 HA MET A 8 6.078 -6.668 -7.714 1.00 63.34 H new ATOM 0 HB2 MET A 8 7.505 -3.998 -7.558 1.00 1.32 H new ATOM 0 HB3 MET A 8 8.239 -5.501 -8.079 1.00 1.32 H new ATOM 0 HG2 MET A 8 6.115 -5.624 -9.677 1.00 53.05 H new ATOM 0 HG3 MET A 8 6.051 -3.895 -9.395 1.00 53.05 H new ATOM 0 HE1 MET A 8 8.829 -2.396 -11.480 1.00 71.13 H new ATOM 0 HE2 MET A 8 7.163 -2.215 -10.880 1.00 71.13 H new ATOM 0 HE3 MET A 8 8.507 -2.414 -9.730 1.00 71.13 H new ATOM 127 N LEU A 9 6.069 -7.008 -5.082 1.00 44.25 N ATOM 128 CA LEU A 9 6.446 -7.464 -3.744 1.00 3.21 C ATOM 129 C LEU A 9 7.006 -8.890 -3.758 1.00 63.14 C ATOM 130 O LEU A 9 6.455 -9.749 -4.454 1.00 22.21 O ATOM 131 CB LEU A 9 5.192 -7.396 -2.853 1.00 53.12 C ATOM 132 CG LEU A 9 5.308 -6.590 -1.554 1.00 72.14 C ATOM 133 CD1 LEU A 9 5.876 -5.183 -1.752 1.00 2.11 C ATOM 134 CD2 LEU A 9 3.901 -6.446 -0.976 1.00 71.25 C ATOM 0 H LEU A 9 5.173 -7.372 -5.405 1.00 44.25 H new ATOM 0 HA LEU A 9 7.237 -6.821 -3.358 1.00 3.21 H new ATOM 0 HB2 LEU A 9 4.379 -6.973 -3.443 1.00 53.12 H new ATOM 0 HB3 LEU A 9 4.903 -8.415 -2.596 1.00 53.12 H new ATOM 0 HG LEU A 9 5.994 -7.125 -0.898 1.00 72.14 H new ATOM 0 HD11 LEU A 9 5.929 -4.673 -0.790 1.00 2.11 H new ATOM 0 HD12 LEU A 9 6.875 -5.251 -2.182 1.00 2.11 H new ATOM 0 HD13 LEU A 9 5.229 -4.621 -2.426 1.00 2.11 H new ATOM 0 HD21 LEU A 9 3.945 -5.876 -0.048 1.00 71.25 H new ATOM 0 HD22 LEU A 9 3.265 -5.925 -1.692 1.00 71.25 H new ATOM 0 HD23 LEU A 9 3.487 -7.434 -0.775 1.00 71.25 H new ATOM 145 N PRO A 10 8.004 -9.193 -2.909 1.00 3.23 N ATOM 146 CA PRO A 10 8.443 -10.557 -2.645 1.00 22.22 C ATOM 147 C PRO A 10 7.405 -11.358 -1.861 1.00 33.41 C ATOM 148 O PRO A 10 6.705 -10.832 -0.995 1.00 53.22 O ATOM 149 CB PRO A 10 9.743 -10.438 -1.848 1.00 41.04 C ATOM 150 CG PRO A 10 9.713 -9.033 -1.260 1.00 33.11 C ATOM 151 CD PRO A 10 8.841 -8.228 -2.211 1.00 64.12 C ATOM 0 HA PRO A 10 8.587 -11.095 -3.582 1.00 22.22 H new ATOM 0 HB2 PRO A 10 9.797 -11.194 -1.064 1.00 41.04 H new ATOM 0 HB3 PRO A 10 10.614 -10.580 -2.488 1.00 41.04 H new ATOM 0 HG2 PRO A 10 9.299 -9.036 -0.252 1.00 33.11 H new ATOM 0 HG3 PRO A 10 10.716 -8.612 -1.192 1.00 33.11 H new ATOM 0 HD2 PRO A 10 8.232 -7.507 -1.665 1.00 64.12 H new ATOM 0 HD3 PRO A 10 9.452 -7.662 -2.914 1.00 64.12 H new ATOM 156 N GLN A 11 7.393 -12.667 -2.095 1.00 34.50 N ATOM 157 CA GLN A 11 6.568 -13.685 -1.445 1.00 32.50 C ATOM 158 C GLN A 11 7.113 -14.056 -0.054 1.00 13.10 C ATOM 159 O GLN A 11 6.710 -15.076 0.503 1.00 32.22 O ATOM 160 CB GLN A 11 6.498 -14.902 -2.393 1.00 2.24 C ATOM 161 CG GLN A 11 5.445 -15.984 -2.101 1.00 51.43 C ATOM 162 CD GLN A 11 4.013 -15.468 -2.081 1.00 1.44 C ATOM 163 OE1 GLN A 11 3.492 -14.927 -3.049 1.00 50.04 O ATOM 164 NE2 GLN A 11 3.326 -15.639 -0.965 1.00 41.44 N ATOM 0 H GLN A 11 8.007 -13.077 -2.799 1.00 34.50 H new ATOM 0 HA GLN A 11 5.563 -13.302 -1.267 1.00 32.50 H new ATOM 0 HB2 GLN A 11 6.323 -14.530 -3.402 1.00 2.24 H new ATOM 0 HB3 GLN A 11 7.477 -15.381 -2.395 1.00 2.24 H new ATOM 0 HG2 GLN A 11 5.527 -16.768 -2.854 1.00 51.43 H new ATOM 0 HG3 GLN A 11 5.668 -16.442 -1.138 1.00 51.43 H new ATOM 0 HE21 GLN A 11 3.763 -16.090 -0.161 1.00 41.44 H new ATOM 0 HE22 GLN A 11 2.359 -15.320 -0.908 1.00 41.44 H new ATOM 171 N ALA A 12 8.038 -13.269 0.503 1.00 20.42 N ATOM 172 CA ALA A 12 8.601 -13.487 1.834 1.00 32.30 C ATOM 173 C ALA A 12 8.540 -12.245 2.735 1.00 2.01 C ATOM 174 O ALA A 12 8.700 -12.395 3.951 1.00 75.12 O ATOM 175 CB ALA A 12 10.029 -14.027 1.700 1.00 64.14 C ATOM 0 H ALA A 12 8.421 -12.450 0.032 1.00 20.42 H new ATOM 0 HA ALA A 12 7.981 -14.228 2.338 1.00 32.30 H new ATOM 0 HB1 ALA A 12 10.451 -14.190 2.692 1.00 64.14 H new ATOM 0 HB2 ALA A 12 10.012 -14.970 1.153 1.00 64.14 H new ATOM 0 HB3 ALA A 12 10.642 -13.305 1.159 1.00 64.14 H new ATOM 181 N ALA A 13 8.270 -11.047 2.192 1.00 73.35 N ATOM 182 CA ALA A 13 8.067 -9.861 3.023 1.00 70.25 C ATOM 183 C ALA A 13 6.815 -10.047 3.880 1.00 22.32 C ATOM 184 O ALA A 13 5.866 -10.719 3.457 1.00 11.24 O ATOM 185 CB ALA A 13 7.885 -8.597 2.172 1.00 43.24 C ATOM 0 H ALA A 13 8.189 -10.880 1.189 1.00 73.35 H new ATOM 0 HA ALA A 13 8.953 -9.740 3.646 1.00 70.25 H new ATOM 0 HB1 ALA A 13 7.737 -7.737 2.825 1.00 43.24 H new ATOM 0 HB2 ALA A 13 8.773 -8.439 1.560 1.00 43.24 H new ATOM 0 HB3 ALA A 13 7.016 -8.716 1.525 1.00 43.24 H new ATOM 191 N THR A 14 6.777 -9.393 5.035 1.00 11.12 N ATOM 192 CA THR A 14 5.639 -9.415 5.944 1.00 75.21 C ATOM 193 C THR A 14 4.897 -8.084 5.884 1.00 41.24 C ATOM 194 O THR A 14 5.415 -7.091 5.368 1.00 75.51 O ATOM 195 CB THR A 14 6.125 -9.745 7.366 1.00 32.52 C ATOM 196 OG1 THR A 14 6.980 -8.721 7.820 1.00 34.32 O ATOM 197 CG2 THR A 14 6.865 -11.080 7.472 1.00 1.11 C ATOM 0 H THR A 14 7.552 -8.822 5.372 1.00 11.12 H new ATOM 0 HA THR A 14 4.935 -10.191 5.643 1.00 75.21 H new ATOM 0 HB THR A 14 5.229 -9.824 7.982 1.00 32.52 H new ATOM 0 HG1 THR A 14 7.854 -8.809 7.386 1.00 34.32 H new ATOM 0 HG21 THR A 14 7.176 -11.242 8.504 1.00 1.11 H new ATOM 0 HG22 THR A 14 6.203 -11.888 7.161 1.00 1.11 H new ATOM 0 HG23 THR A 14 7.743 -11.061 6.827 1.00 1.11 H new ATOM 205 N GLU A 15 3.676 -8.033 6.420 1.00 63.31 N ATOM 206 CA GLU A 15 2.968 -6.772 6.552 1.00 24.13 C ATOM 207 C GLU A 15 3.789 -5.805 7.417 1.00 40.34 C ATOM 208 O GLU A 15 3.796 -4.590 7.187 1.00 64.43 O ATOM 209 CB GLU A 15 1.589 -7.043 7.159 1.00 52.01 C ATOM 210 CG GLU A 15 0.589 -5.934 6.859 1.00 40.42 C ATOM 211 CD GLU A 15 -0.776 -6.278 7.469 1.00 52.12 C ATOM 212 OE1 GLU A 15 -0.942 -6.067 8.695 1.00 4.50 O ATOM 213 OE2 GLU A 15 -1.666 -6.756 6.727 1.00 61.23 O ATOM 0 H GLU A 15 3.166 -8.846 6.765 1.00 63.31 H new ATOM 0 HA GLU A 15 2.832 -6.305 5.576 1.00 24.13 H new ATOM 0 HB2 GLU A 15 1.205 -7.987 6.773 1.00 52.01 H new ATOM 0 HB3 GLU A 15 1.687 -7.156 8.239 1.00 52.01 H new ATOM 0 HG2 GLU A 15 0.950 -4.989 7.264 1.00 40.42 H new ATOM 0 HG3 GLU A 15 0.492 -5.802 5.781 1.00 40.42 H new ATOM 218 N ASP A 16 4.490 -6.387 8.394 1.00 33.20 N ATOM 219 CA ASP A 16 5.355 -5.762 9.376 1.00 35.12 C ATOM 220 C ASP A 16 6.550 -5.075 8.720 1.00 75.44 C ATOM 221 O ASP A 16 6.928 -3.993 9.165 1.00 21.31 O ATOM 222 CB ASP A 16 5.831 -6.828 10.366 1.00 54.01 C ATOM 223 CG ASP A 16 6.367 -6.197 11.644 1.00 14.11 C ATOM 224 OD1 ASP A 16 5.543 -5.745 12.481 1.00 33.41 O ATOM 225 OD2 ASP A 16 7.606 -6.192 11.818 1.00 13.32 O ATOM 0 H ASP A 16 4.458 -7.398 8.522 1.00 33.20 H new ATOM 0 HA ASP A 16 4.789 -4.991 9.899 1.00 35.12 H new ATOM 0 HB2 ASP A 16 5.006 -7.498 10.607 1.00 54.01 H new ATOM 0 HB3 ASP A 16 6.609 -7.435 9.904 1.00 54.01 H new ATOM 229 N ASP A 17 7.088 -5.645 7.632 1.00 20.33 N ATOM 230 CA ASP A 17 8.172 -5.037 6.855 1.00 42.42 C ATOM 231 C ASP A 17 7.719 -3.672 6.367 1.00 51.12 C ATOM 232 O ASP A 17 8.433 -2.693 6.553 1.00 50.05 O ATOM 233 CB ASP A 17 8.608 -5.874 5.637 1.00 63.34 C ATOM 234 CG ASP A 17 9.571 -6.993 6.001 1.00 35.51 C ATOM 235 OD1 ASP A 17 10.798 -6.743 6.063 1.00 61.34 O ATOM 236 OD2 ASP A 17 9.073 -8.113 6.285 1.00 51.14 O ATOM 0 H ASP A 17 6.780 -6.546 7.266 1.00 20.33 H new ATOM 0 HA ASP A 17 9.034 -4.969 7.519 1.00 42.42 H new ATOM 0 HB2 ASP A 17 7.725 -6.302 5.162 1.00 63.34 H new ATOM 0 HB3 ASP A 17 9.080 -5.220 4.903 1.00 63.34 H new ATOM 240 N ILE A 18 6.524 -3.581 5.769 1.00 42.21 N ATOM 241 CA ILE A 18 6.049 -2.297 5.265 1.00 65.14 C ATOM 242 C ILE A 18 5.671 -1.384 6.430 1.00 51.25 C ATOM 243 O ILE A 18 5.970 -0.194 6.369 1.00 2.41 O ATOM 244 CB ILE A 18 4.923 -2.441 4.229 1.00 51.35 C ATOM 245 CG1 ILE A 18 5.445 -3.201 2.995 1.00 54.02 C ATOM 246 CG2 ILE A 18 4.386 -1.043 3.826 1.00 31.41 C ATOM 247 CD1 ILE A 18 4.269 -3.688 2.161 1.00 61.24 C ATOM 0 H ILE A 18 5.886 -4.364 5.627 1.00 42.21 H new ATOM 0 HA ILE A 18 6.868 -1.826 4.722 1.00 65.14 H new ATOM 0 HB ILE A 18 4.102 -3.009 4.667 1.00 51.35 H new ATOM 0 HG12 ILE A 18 6.083 -2.550 2.397 1.00 54.02 H new ATOM 0 HG13 ILE A 18 6.057 -4.047 3.308 1.00 54.02 H new ATOM 0 HG21 ILE A 18 3.589 -1.157 3.092 1.00 31.41 H new ATOM 0 HG22 ILE A 18 3.997 -0.535 4.708 1.00 31.41 H new ATOM 0 HG23 ILE A 18 5.195 -0.453 3.395 1.00 31.41 H new ATOM 0 HD11 ILE A 18 4.640 -4.226 1.288 1.00 61.24 H new ATOM 0 HD12 ILE A 18 3.649 -4.354 2.761 1.00 61.24 H new ATOM 0 HD13 ILE A 18 3.675 -2.834 1.836 1.00 61.24 H new ATOM 258 N ARG A 19 5.046 -1.898 7.501 1.00 5.14 N ATOM 259 CA ARG A 19 4.764 -1.084 8.687 1.00 64.42 C ATOM 260 C ARG A 19 6.056 -0.403 9.182 1.00 61.45 C ATOM 261 O ARG A 19 6.007 0.753 9.598 1.00 62.43 O ATOM 262 CB ARG A 19 4.126 -1.949 9.787 1.00 43.44 C ATOM 263 CG ARG A 19 2.611 -2.065 9.635 1.00 15.10 C ATOM 264 CD ARG A 19 2.109 -3.491 9.868 1.00 14.42 C ATOM 265 NE ARG A 19 2.391 -4.030 11.207 1.00 2.31 N ATOM 266 CZ ARG A 19 1.894 -5.181 11.681 1.00 1.40 C ATOM 267 NH1 ARG A 19 1.141 -5.964 10.911 1.00 60.22 N ATOM 268 NH2 ARG A 19 2.147 -5.565 12.927 1.00 31.20 N ATOM 0 H ARG A 19 4.730 -2.865 7.567 1.00 5.14 H new ATOM 0 HA ARG A 19 4.052 -0.302 8.424 1.00 64.42 H new ATOM 0 HB2 ARG A 19 4.568 -2.945 9.763 1.00 43.44 H new ATOM 0 HB3 ARG A 19 4.358 -1.521 10.762 1.00 43.44 H new ATOM 0 HG2 ARG A 19 2.125 -1.392 10.341 1.00 15.10 H new ATOM 0 HG3 ARG A 19 2.323 -1.740 8.635 1.00 15.10 H new ATOM 0 HD2 ARG A 19 1.032 -3.515 9.701 1.00 14.42 H new ATOM 0 HD3 ARG A 19 2.561 -4.147 9.124 1.00 14.42 H new ATOM 0 HE ARG A 19 3.007 -3.491 11.816 1.00 2.31 H new ATOM 0 HH11 ARG A 19 0.937 -5.690 9.950 1.00 60.22 H new ATOM 0 HH12 ARG A 19 0.768 -6.838 11.282 1.00 60.22 H new ATOM 0 HH21 ARG A 19 2.724 -4.982 13.533 1.00 31.20 H new ATOM 0 HH22 ARG A 19 1.764 -6.443 13.278 1.00 31.20 H new ATOM 279 N GLY A 20 7.203 -1.080 9.063 1.00 61.23 N ATOM 280 CA GLY A 20 8.523 -0.594 9.445 1.00 22.13 C ATOM 281 C GLY A 20 9.368 -0.101 8.268 1.00 52.45 C ATOM 282 O GLY A 20 10.550 0.181 8.460 1.00 5.40 O ATOM 0 H GLY A 20 7.232 -2.025 8.680 1.00 61.23 H new ATOM 0 HA2 GLY A 20 8.406 0.219 10.161 1.00 22.13 H new ATOM 0 HA3 GLY A 20 9.060 -1.394 9.955 1.00 22.13 H new ATOM 286 N GLN A 21 8.788 0.082 7.079 1.00 10.43 N ATOM 287 CA GLN A 21 9.305 0.940 6.014 1.00 32.34 C ATOM 288 C GLN A 21 8.623 2.306 6.049 1.00 54.25 C ATOM 289 O GLN A 21 8.943 3.150 5.210 1.00 33.44 O ATOM 290 CB GLN A 21 9.076 0.293 4.636 1.00 42.33 C ATOM 291 CG GLN A 21 10.215 -0.633 4.209 1.00 65.34 C ATOM 292 CD GLN A 21 11.263 0.128 3.391 1.00 63.11 C ATOM 293 OE1 GLN A 21 11.283 0.079 2.163 1.00 72.31 O ATOM 294 NE2 GLN A 21 12.124 0.911 4.020 1.00 10.03 N ATOM 0 H GLN A 21 7.915 -0.380 6.824 1.00 10.43 H new ATOM 0 HA GLN A 21 10.375 1.067 6.176 1.00 32.34 H new ATOM 0 HB2 GLN A 21 8.145 -0.273 4.658 1.00 42.33 H new ATOM 0 HB3 GLN A 21 8.955 1.077 3.889 1.00 42.33 H new ATOM 0 HG2 GLN A 21 10.684 -1.070 5.091 1.00 65.34 H new ATOM 0 HG3 GLN A 21 9.816 -1.458 3.619 1.00 65.34 H new ATOM 0 HE21 GLN A 21 12.118 0.961 5.039 1.00 10.03 H new ATOM 0 HE22 GLN A 21 12.794 1.465 3.486 1.00 10.03 H new ATOM 301 N LEU A 22 7.688 2.557 6.969 1.00 30.14 N ATOM 302 CA LEU A 22 6.959 3.820 7.001 1.00 32.23 C ATOM 303 C LEU A 22 7.488 4.736 8.102 1.00 62.42 C ATOM 304 O LEU A 22 7.580 5.949 7.911 1.00 13.03 O ATOM 305 CB LEU A 22 5.467 3.522 7.188 1.00 11.11 C ATOM 306 CG LEU A 22 4.896 2.854 5.923 1.00 3.13 C ATOM 307 CD1 LEU A 22 3.637 2.066 6.232 1.00 54.24 C ATOM 308 CD2 LEU A 22 4.530 3.871 4.854 1.00 3.24 C ATOM 0 H LEU A 22 7.420 1.899 7.701 1.00 30.14 H new ATOM 0 HA LEU A 22 7.105 4.348 6.059 1.00 32.23 H new ATOM 0 HB2 LEU A 22 5.324 2.869 8.049 1.00 11.11 H new ATOM 0 HB3 LEU A 22 4.927 4.446 7.396 1.00 11.11 H new ATOM 0 HG LEU A 22 5.686 2.196 5.560 1.00 3.13 H new ATOM 0 HD11 LEU A 22 3.261 1.608 5.317 1.00 54.24 H new ATOM 0 HD12 LEU A 22 3.864 1.288 6.961 1.00 54.24 H new ATOM 0 HD13 LEU A 22 2.880 2.735 6.641 1.00 54.24 H new ATOM 0 HD21 LEU A 22 4.132 3.354 3.981 1.00 3.24 H new ATOM 0 HD22 LEU A 22 3.777 4.555 5.245 1.00 3.24 H new ATOM 0 HD23 LEU A 22 5.418 4.434 4.568 1.00 3.24 H new ATOM 319 N GLN A 23 7.846 4.181 9.260 1.00 53.41 N ATOM 320 CA GLN A 23 8.173 4.999 10.416 1.00 23.12 C ATOM 321 C GLN A 23 9.367 5.917 10.204 1.00 1.24 C ATOM 322 O GLN A 23 9.327 7.059 10.675 1.00 32.14 O ATOM 323 CB GLN A 23 8.300 4.146 11.693 1.00 41.12 C ATOM 324 CG GLN A 23 6.964 4.183 12.444 1.00 34.54 C ATOM 325 CD GLN A 23 7.067 3.824 13.919 1.00 22.10 C ATOM 326 OE1 GLN A 23 6.713 2.730 14.343 1.00 4.52 O ATOM 327 NE2 GLN A 23 7.494 4.750 14.761 1.00 12.33 N ATOM 0 H GLN A 23 7.915 3.176 9.417 1.00 53.41 H new ATOM 0 HA GLN A 23 7.328 5.673 10.555 1.00 23.12 H new ATOM 0 HB2 GLN A 23 8.561 3.119 11.437 1.00 41.12 H new ATOM 0 HB3 GLN A 23 9.100 4.530 12.326 1.00 41.12 H new ATOM 0 HG2 GLN A 23 6.537 5.182 12.354 1.00 34.54 H new ATOM 0 HG3 GLN A 23 6.270 3.495 11.962 1.00 34.54 H new ATOM 0 HE21 GLN A 23 7.789 5.661 14.410 1.00 12.33 H new ATOM 0 HE22 GLN A 23 7.528 4.553 15.761 1.00 12.33 H new ATOM 334 N SER A 24 10.382 5.488 9.466 1.00 73.31 N ATOM 335 CA SER A 24 11.526 6.318 9.165 1.00 74.24 C ATOM 336 C SER A 24 11.201 7.419 8.138 1.00 44.21 C ATOM 337 O SER A 24 12.036 8.311 7.971 1.00 62.53 O ATOM 338 CB SER A 24 12.653 5.384 8.723 1.00 2.23 C ATOM 339 OG SER A 24 13.263 4.761 9.841 1.00 21.34 O ATOM 0 H SER A 24 10.429 4.553 9.062 1.00 73.31 H new ATOM 0 HA SER A 24 11.840 6.874 10.048 1.00 74.24 H new ATOM 0 HB2 SER A 24 12.257 4.624 8.049 1.00 2.23 H new ATOM 0 HB3 SER A 24 13.400 5.948 8.164 1.00 2.23 H new ATOM 0 HG SER A 24 13.980 4.167 9.534 1.00 21.34 H new ATOM 344 N HIS A 25 10.023 7.447 7.493 1.00 54.02 N ATOM 345 CA HIS A 25 9.573 8.569 6.668 1.00 54.02 C ATOM 346 C HIS A 25 8.529 9.425 7.392 1.00 42.42 C ATOM 347 O HIS A 25 8.179 10.493 6.885 1.00 41.31 O ATOM 348 CB HIS A 25 9.051 8.049 5.322 1.00 64.11 C ATOM 349 CG HIS A 25 10.156 7.625 4.398 1.00 50.44 C ATOM 350 ND1 HIS A 25 11.088 8.455 3.819 1.00 74.55 N ATOM 351 CD2 HIS A 25 10.430 6.345 4.010 1.00 4.04 C ATOM 352 CE1 HIS A 25 11.923 7.680 3.109 1.00 74.52 C ATOM 353 NE2 HIS A 25 11.568 6.385 3.203 1.00 1.24 N ATOM 0 H HIS A 25 9.352 6.680 7.533 1.00 54.02 H new ATOM 0 HA HIS A 25 10.425 9.221 6.478 1.00 54.02 H new ATOM 0 HB2 HIS A 25 8.385 7.204 5.497 1.00 64.11 H new ATOM 0 HB3 HIS A 25 8.459 8.828 4.841 1.00 64.11 H new ATOM 0 HD2 HIS A 25 9.868 5.462 4.279 1.00 4.04 H new ATOM 0 HE1 HIS A 25 12.765 8.046 2.540 1.00 74.52 H new ATOM 0 HE2 HIS A 25 12.038 5.590 2.770 1.00 1.24 H new ATOM 360 N GLY A 26 8.053 8.995 8.565 1.00 51.15 N ATOM 361 CA GLY A 26 7.101 9.732 9.394 1.00 23.21 C ATOM 362 C GLY A 26 5.656 9.405 9.044 1.00 2.11 C ATOM 363 O GLY A 26 4.741 9.712 9.808 1.00 52.02 O ATOM 0 H GLY A 26 8.328 8.101 8.972 1.00 51.15 H new ATOM 0 HA2 GLY A 26 7.280 9.499 10.444 1.00 23.21 H new ATOM 0 HA3 GLY A 26 7.269 10.802 9.272 1.00 23.21 H new ATOM 367 N VAL A 27 5.450 8.725 7.922 1.00 3.31 N ATOM 368 CA VAL A 27 4.273 7.926 7.679 1.00 24.40 C ATOM 369 C VAL A 27 3.992 6.875 8.753 1.00 63.42 C ATOM 370 O VAL A 27 4.857 6.439 9.519 1.00 63.45 O ATOM 371 CB VAL A 27 4.279 7.333 6.251 1.00 3.30 C ATOM 372 CG1 VAL A 27 3.418 8.169 5.314 1.00 21.54 C ATOM 373 CG2 VAL A 27 5.637 7.276 5.539 1.00 65.52 C ATOM 0 H VAL A 27 6.113 8.719 7.147 1.00 3.31 H new ATOM 0 HA VAL A 27 3.429 8.613 7.749 1.00 24.40 H new ATOM 0 HB VAL A 27 3.921 6.319 6.428 1.00 3.30 H new ATOM 0 HG11 VAL A 27 3.438 7.733 4.315 1.00 21.54 H new ATOM 0 HG12 VAL A 27 2.392 8.187 5.682 1.00 21.54 H new ATOM 0 HG13 VAL A 27 3.807 9.186 5.273 1.00 21.54 H new ATOM 0 HG21 VAL A 27 5.510 6.841 4.548 1.00 65.52 H new ATOM 0 HG22 VAL A 27 6.041 8.284 5.444 1.00 65.52 H new ATOM 0 HG23 VAL A 27 6.326 6.662 6.119 1.00 65.52 H new ATOM 383 N GLN A 28 2.738 6.433 8.741 1.00 72.34 N ATOM 384 CA GLN A 28 2.203 5.273 9.430 1.00 5.20 C ATOM 385 C GLN A 28 1.464 4.439 8.399 1.00 5.03 C ATOM 386 O GLN A 28 0.840 5.026 7.508 1.00 54.13 O ATOM 387 CB GLN A 28 1.230 5.709 10.544 1.00 14.52 C ATOM 388 CG GLN A 28 -0.140 6.289 10.128 1.00 4.21 C ATOM 389 CD GLN A 28 -0.079 7.636 9.413 1.00 12.11 C ATOM 390 OE1 GLN A 28 -0.145 8.687 10.045 1.00 23.33 O ATOM 391 NE2 GLN A 28 0.005 7.657 8.094 1.00 42.01 N ATOM 0 H GLN A 28 2.017 6.918 8.206 1.00 72.34 H new ATOM 0 HA GLN A 28 3.007 4.701 9.893 1.00 5.20 H new ATOM 0 HB2 GLN A 28 1.046 4.845 11.183 1.00 14.52 H new ATOM 0 HB3 GLN A 28 1.736 6.456 11.155 1.00 14.52 H new ATOM 0 HG2 GLN A 28 -0.639 5.571 9.477 1.00 4.21 H new ATOM 0 HG3 GLN A 28 -0.759 6.395 11.019 1.00 4.21 H new ATOM 0 HE21 GLN A 28 0.060 6.782 7.572 1.00 42.01 H new ATOM 0 HE22 GLN A 28 0.015 8.548 7.598 1.00 42.01 H new ATOM 398 N ALA A 29 1.433 3.116 8.563 1.00 14.33 N ATOM 399 CA ALA A 29 0.383 2.317 8.033 1.00 3.43 C ATOM 400 C ALA A 29 -0.772 2.324 9.028 1.00 63.34 C ATOM 401 O ALA A 29 -0.717 1.616 10.034 1.00 64.41 O ATOM 402 CB ALA A 29 0.787 0.876 7.701 1.00 65.31 C ATOM 0 H ALA A 29 2.145 2.590 9.070 1.00 14.33 H new ATOM 0 HA ALA A 29 0.095 2.758 7.079 1.00 3.43 H new ATOM 0 HB1 ALA A 29 -0.074 0.339 7.303 1.00 65.31 H new ATOM 0 HB2 ALA A 29 1.585 0.884 6.959 1.00 65.31 H new ATOM 0 HB3 ALA A 29 1.138 0.379 8.605 1.00 65.31 H new ATOM 408 N ARG A 30 -1.817 3.106 8.777 1.00 74.25 N ATOM 409 CA ARG A 30 -3.045 3.038 9.556 1.00 11.51 C ATOM 410 C ARG A 30 -3.745 1.701 9.308 1.00 45.33 C ATOM 411 O ARG A 30 -3.950 0.942 10.254 1.00 2.51 O ATOM 412 CB ARG A 30 -3.907 4.290 9.294 1.00 63.45 C ATOM 413 CG ARG A 30 -4.485 4.876 10.595 1.00 64.14 C ATOM 414 CD ARG A 30 -3.349 5.531 11.399 1.00 42.11 C ATOM 415 NE ARG A 30 -3.741 6.061 12.713 1.00 50.22 N ATOM 416 CZ ARG A 30 -3.794 5.391 13.869 1.00 70.32 C ATOM 417 NH1 ARG A 30 -4.032 4.081 13.927 1.00 11.20 N ATOM 418 NH2 ARG A 30 -3.592 6.041 15.004 1.00 11.42 N ATOM 0 H ARG A 30 -1.835 3.801 8.031 1.00 74.25 H new ATOM 0 HA ARG A 30 -2.832 3.057 10.625 1.00 11.51 H new ATOM 0 HB2 ARG A 30 -3.304 5.047 8.792 1.00 63.45 H new ATOM 0 HB3 ARG A 30 -4.723 4.033 8.618 1.00 63.45 H new ATOM 0 HG2 ARG A 30 -5.256 5.611 10.366 1.00 64.14 H new ATOM 0 HG3 ARG A 30 -4.958 4.090 11.184 1.00 64.14 H new ATOM 0 HD2 ARG A 30 -2.556 4.797 11.542 1.00 42.11 H new ATOM 0 HD3 ARG A 30 -2.928 6.344 10.807 1.00 42.11 H new ATOM 0 HE ARG A 30 -4.001 7.047 12.747 1.00 50.22 H new ATOM 0 HH11 ARG A 30 -4.182 3.551 13.068 1.00 11.20 H new ATOM 0 HH12 ARG A 30 -4.064 3.608 14.830 1.00 11.20 H new ATOM 0 HH21 ARG A 30 -3.398 7.042 14.991 1.00 11.42 H new ATOM 0 HH22 ARG A 30 -3.630 5.541 15.892 1.00 11.42 H new ATOM 429 N GLU A 31 -4.029 1.341 8.058 1.00 41.41 N ATOM 430 CA GLU A 31 -4.624 0.059 7.689 1.00 54.32 C ATOM 431 C GLU A 31 -3.854 -0.551 6.526 1.00 72.42 C ATOM 432 O GLU A 31 -3.145 0.155 5.816 1.00 1.21 O ATOM 433 CB GLU A 31 -6.126 0.221 7.396 1.00 4.14 C ATOM 434 CG GLU A 31 -6.928 -0.752 8.269 1.00 63.31 C ATOM 435 CD GLU A 31 -6.736 -0.491 9.771 1.00 52.53 C ATOM 436 OE1 GLU A 31 -6.963 0.650 10.230 1.00 31.42 O ATOM 437 OE2 GLU A 31 -6.324 -1.429 10.498 1.00 0.33 O ATOM 0 H GLU A 31 -3.848 1.946 7.257 1.00 41.41 H new ATOM 0 HA GLU A 31 -4.549 -0.635 8.526 1.00 54.32 H new ATOM 0 HB2 GLU A 31 -6.437 1.246 7.596 1.00 4.14 H new ATOM 0 HB3 GLU A 31 -6.324 0.028 6.342 1.00 4.14 H new ATOM 0 HG2 GLU A 31 -7.986 -0.669 8.022 1.00 63.31 H new ATOM 0 HG3 GLU A 31 -6.626 -1.774 8.040 1.00 63.31 H new ATOM 442 N VAL A 32 -3.930 -1.869 6.347 1.00 23.40 N ATOM 443 CA VAL A 32 -3.108 -2.594 5.377 1.00 70.51 C ATOM 444 C VAL A 32 -3.610 -4.025 5.165 1.00 3.34 C ATOM 445 O VAL A 32 -4.189 -4.617 6.077 1.00 12.50 O ATOM 446 CB VAL A 32 -1.582 -2.429 5.669 1.00 44.41 C ATOM 447 CG1 VAL A 32 -1.159 -2.531 7.143 1.00 23.20 C ATOM 448 CG2 VAL A 32 -0.735 -3.434 4.878 1.00 71.45 C ATOM 0 H VAL A 32 -4.567 -2.468 6.873 1.00 23.40 H new ATOM 0 HA VAL A 32 -3.228 -2.134 4.396 1.00 70.51 H new ATOM 0 HB VAL A 32 -1.397 -1.403 5.351 1.00 44.41 H new ATOM 0 HG11 VAL A 32 -0.080 -2.401 7.222 1.00 23.20 H new ATOM 0 HG12 VAL A 32 -1.661 -1.755 7.720 1.00 23.20 H new ATOM 0 HG13 VAL A 32 -1.436 -3.510 7.534 1.00 23.20 H new ATOM 0 HG21 VAL A 32 0.319 -3.284 5.111 1.00 71.45 H new ATOM 0 HG22 VAL A 32 -1.026 -4.449 5.150 1.00 71.45 H new ATOM 0 HG23 VAL A 32 -0.896 -3.284 3.810 1.00 71.45 H new ATOM 458 N ARG A 33 -3.373 -4.562 3.962 1.00 32.10 N ATOM 459 CA ARG A 33 -3.620 -5.931 3.517 1.00 21.12 C ATOM 460 C ARG A 33 -2.368 -6.403 2.774 1.00 32.51 C ATOM 461 O ARG A 33 -2.228 -6.129 1.584 1.00 52.33 O ATOM 462 CB ARG A 33 -4.906 -5.981 2.662 1.00 50.02 C ATOM 463 CG ARG A 33 -6.145 -5.469 3.420 1.00 65.03 C ATOM 464 CD ARG A 33 -7.461 -5.749 2.674 1.00 43.34 C ATOM 465 NE ARG A 33 -8.522 -4.789 3.034 1.00 14.32 N ATOM 466 CZ ARG A 33 -9.082 -4.589 4.235 1.00 63.21 C ATOM 467 NH1 ARG A 33 -8.889 -5.452 5.229 1.00 41.13 N ATOM 468 NH2 ARG A 33 -9.831 -3.510 4.424 1.00 25.13 N ATOM 0 H ARG A 33 -2.969 -3.998 3.214 1.00 32.10 H new ATOM 0 HA ARG A 33 -3.796 -6.609 4.352 1.00 21.12 H new ATOM 0 HB2 ARG A 33 -4.763 -5.382 1.762 1.00 50.02 H new ATOM 0 HB3 ARG A 33 -5.082 -7.007 2.338 1.00 50.02 H new ATOM 0 HG2 ARG A 33 -6.183 -5.939 4.403 1.00 65.03 H new ATOM 0 HG3 ARG A 33 -6.047 -4.396 3.583 1.00 65.03 H new ATOM 0 HD2 ARG A 33 -7.284 -5.705 1.599 1.00 43.34 H new ATOM 0 HD3 ARG A 33 -7.797 -6.761 2.901 1.00 43.34 H new ATOM 0 HE ARG A 33 -8.873 -4.205 2.275 1.00 14.32 H new ATOM 0 HH11 ARG A 33 -8.309 -6.278 5.082 1.00 41.13 H new ATOM 0 HH12 ARG A 33 -9.321 -5.288 6.138 1.00 41.13 H new ATOM 0 HH21 ARG A 33 -9.973 -2.848 3.661 1.00 25.13 H new ATOM 0 HH22 ARG A 33 -10.265 -3.343 5.332 1.00 25.13 H new ATOM 479 N LEU A 34 -1.451 -7.085 3.475 1.00 13.43 N ATOM 480 CA LEU A 34 -0.368 -7.872 2.868 1.00 30.32 C ATOM 481 C LEU A 34 -0.660 -9.366 3.086 1.00 13.10 C ATOM 482 O LEU A 34 -1.738 -9.726 3.577 1.00 21.11 O ATOM 483 CB LEU A 34 0.999 -7.412 3.424 1.00 2.22 C ATOM 484 CG LEU A 34 2.240 -7.935 2.652 1.00 54.43 C ATOM 485 CD1 LEU A 34 3.282 -6.840 2.476 1.00 63.55 C ATOM 486 CD2 LEU A 34 2.954 -9.124 3.313 1.00 61.34 C ATOM 0 H LEU A 34 -1.441 -7.106 4.495 1.00 13.43 H new ATOM 0 HA LEU A 34 -0.318 -7.709 1.791 1.00 30.32 H new ATOM 0 HB2 LEU A 34 1.024 -6.322 3.424 1.00 2.22 H new ATOM 0 HB3 LEU A 34 1.076 -7.733 4.463 1.00 2.22 H new ATOM 0 HG LEU A 34 1.829 -8.267 1.699 1.00 54.43 H new ATOM 0 HD11 LEU A 34 4.139 -7.237 1.932 1.00 63.55 H new ATOM 0 HD12 LEU A 34 2.848 -6.012 1.915 1.00 63.55 H new ATOM 0 HD13 LEU A 34 3.606 -6.486 3.454 1.00 63.55 H new ATOM 0 HD21 LEU A 34 3.808 -9.421 2.703 1.00 61.34 H new ATOM 0 HD22 LEU A 34 3.300 -8.835 4.305 1.00 61.34 H new ATOM 0 HD23 LEU A 34 2.262 -9.962 3.400 1.00 61.34 H new ATOM 616 N ARG A 44 -0.528 -12.222 -3.697 1.00 51.25 N ATOM 617 CA ARG A 44 -0.402 -12.279 -5.151 1.00 54.14 C ATOM 618 C ARG A 44 0.833 -11.501 -5.626 1.00 64.21 C ATOM 619 O ARG A 44 0.992 -11.314 -6.832 1.00 54.04 O ATOM 620 CB ARG A 44 -1.701 -11.758 -5.808 1.00 65.22 C ATOM 621 CG ARG A 44 -2.581 -12.888 -6.363 1.00 4.13 C ATOM 622 CD ARG A 44 -1.967 -13.566 -7.598 1.00 10.01 C ATOM 623 NE ARG A 44 -2.892 -14.547 -8.189 1.00 72.51 N ATOM 624 CZ ARG A 44 -2.595 -15.411 -9.170 1.00 34.44 C ATOM 625 NH1 ARG A 44 -1.373 -15.509 -9.679 1.00 45.03 N ATOM 626 NH2 ARG A 44 -3.540 -16.193 -9.670 1.00 61.23 N ATOM 0 HA ARG A 44 -0.259 -13.315 -5.457 1.00 54.14 H new ATOM 0 HB2 ARG A 44 -2.270 -11.187 -5.074 1.00 65.22 H new ATOM 0 HB3 ARG A 44 -1.445 -11.073 -6.616 1.00 65.22 H new ATOM 0 HG2 ARG A 44 -2.740 -13.635 -5.585 1.00 4.13 H new ATOM 0 HG3 ARG A 44 -3.560 -12.486 -6.623 1.00 4.13 H new ATOM 0 HD2 ARG A 44 -1.713 -12.810 -8.341 1.00 10.01 H new ATOM 0 HD3 ARG A 44 -1.038 -14.063 -7.318 1.00 10.01 H new ATOM 0 HE ARG A 44 -3.842 -14.571 -7.820 1.00 72.51 H new ATOM 0 HH11 ARG A 44 -0.624 -14.915 -9.324 1.00 45.03 H new ATOM 0 HH12 ARG A 44 -1.183 -16.178 -10.425 1.00 45.03 H new ATOM 0 HH21 ARG A 44 -4.492 -16.137 -9.309 1.00 61.23 H new ATOM 0 HH22 ARG A 44 -3.315 -16.851 -10.416 1.00 61.23 H new ATOM 637 N GLY A 45 1.702 -11.027 -4.728 1.00 43.32 N ATOM 638 CA GLY A 45 2.864 -10.217 -5.064 1.00 43.21 C ATOM 639 C GLY A 45 2.593 -8.719 -4.992 1.00 71.33 C ATOM 640 O GLY A 45 3.366 -7.948 -5.564 1.00 14.42 O ATOM 0 H GLY A 45 1.610 -11.203 -3.727 1.00 43.32 H new ATOM 0 HA2 GLY A 45 3.680 -10.465 -4.385 1.00 43.21 H new ATOM 0 HA3 GLY A 45 3.197 -10.471 -6.070 1.00 43.21 H new ATOM 644 N PHE A 46 1.530 -8.296 -4.299 1.00 52.12 N ATOM 645 CA PHE A 46 1.276 -6.893 -4.001 1.00 22.53 C ATOM 646 C PHE A 46 0.587 -6.698 -2.655 1.00 22.12 C ATOM 647 O PHE A 46 0.011 -7.626 -2.090 1.00 11.30 O ATOM 648 CB PHE A 46 0.466 -6.243 -5.136 1.00 45.33 C ATOM 649 CG PHE A 46 -0.702 -7.029 -5.690 1.00 12.10 C ATOM 650 CD1 PHE A 46 -1.831 -7.315 -4.900 1.00 25.32 C ATOM 651 CD2 PHE A 46 -0.643 -7.474 -7.021 1.00 43.11 C ATOM 652 CE1 PHE A 46 -2.874 -8.100 -5.425 1.00 43.24 C ATOM 653 CE2 PHE A 46 -1.695 -8.242 -7.552 1.00 42.12 C ATOM 654 CZ PHE A 46 -2.807 -8.564 -6.752 1.00 50.35 C ATOM 0 H PHE A 46 0.820 -8.927 -3.929 1.00 52.12 H new ATOM 0 HA PHE A 46 2.244 -6.396 -3.929 1.00 22.53 H new ATOM 0 HB2 PHE A 46 0.089 -5.286 -4.776 1.00 45.33 H new ATOM 0 HB3 PHE A 46 1.149 -6.028 -5.958 1.00 45.33 H new ATOM 0 HD1 PHE A 46 -1.897 -6.932 -3.892 1.00 25.32 H new ATOM 0 HD2 PHE A 46 0.209 -7.227 -7.636 1.00 43.11 H new ATOM 0 HE1 PHE A 46 -3.726 -8.347 -4.809 1.00 43.24 H new ATOM 0 HE2 PHE A 46 -1.649 -8.585 -8.575 1.00 42.12 H new ATOM 0 HZ PHE A 46 -3.608 -9.166 -7.156 1.00 50.35 H new ATOM 663 N ALA A 47 0.612 -5.473 -2.142 1.00 72.41 N ATOM 664 CA ALA A 47 -0.081 -5.079 -0.926 1.00 2.31 C ATOM 665 C ALA A 47 -0.702 -3.704 -1.136 1.00 70.32 C ATOM 666 O ALA A 47 -0.472 -3.070 -2.170 1.00 24.14 O ATOM 667 CB ALA A 47 0.891 -5.099 0.253 1.00 70.54 C ATOM 0 H ALA A 47 1.130 -4.708 -2.574 1.00 72.41 H new ATOM 0 HA ALA A 47 -0.882 -5.782 -0.696 1.00 2.31 H new ATOM 0 HB1 ALA A 47 0.367 -4.803 1.162 1.00 70.54 H new ATOM 0 HB2 ALA A 47 1.292 -6.105 0.377 1.00 70.54 H new ATOM 0 HB3 ALA A 47 1.708 -4.403 0.063 1.00 70.54 H new ATOM 673 N PHE A 48 -1.535 -3.308 -0.179 1.00 52.23 N ATOM 674 CA PHE A 48 -2.355 -2.115 -0.161 1.00 11.01 C ATOM 675 C PHE A 48 -2.206 -1.561 1.252 1.00 64.13 C ATOM 676 O PHE A 48 -2.516 -2.278 2.206 1.00 2.30 O ATOM 677 CB PHE A 48 -3.824 -2.484 -0.450 1.00 73.35 C ATOM 678 CG PHE A 48 -4.171 -2.775 -1.904 1.00 11.20 C ATOM 679 CD1 PHE A 48 -3.654 -3.911 -2.559 1.00 21.50 C ATOM 680 CD2 PHE A 48 -5.055 -1.926 -2.599 1.00 3.31 C ATOM 681 CE1 PHE A 48 -3.957 -4.157 -3.908 1.00 64.45 C ATOM 682 CE2 PHE A 48 -5.404 -2.208 -3.930 1.00 73.43 C ATOM 683 CZ PHE A 48 -4.845 -3.312 -4.593 1.00 5.00 C ATOM 0 H PHE A 48 -1.659 -3.861 0.669 1.00 52.23 H new ATOM 0 HA PHE A 48 -2.055 -1.388 -0.916 1.00 11.01 H new ATOM 0 HB2 PHE A 48 -4.081 -3.360 0.145 1.00 73.35 H new ATOM 0 HB3 PHE A 48 -4.457 -1.667 -0.104 1.00 73.35 H new ATOM 0 HD1 PHE A 48 -3.019 -4.598 -2.019 1.00 21.50 H new ATOM 0 HD2 PHE A 48 -5.465 -1.056 -2.107 1.00 3.31 H new ATOM 0 HE1 PHE A 48 -3.507 -4.996 -4.418 1.00 64.45 H new ATOM 0 HE2 PHE A 48 -6.107 -1.571 -4.447 1.00 73.43 H new ATOM 0 HZ PHE A 48 -5.097 -3.510 -5.624 1.00 5.00 H new ATOM 692 N VAL A 49 -1.727 -0.324 1.387 1.00 73.42 N ATOM 693 CA VAL A 49 -1.524 0.372 2.652 1.00 30.54 C ATOM 694 C VAL A 49 -2.446 1.601 2.603 1.00 5.14 C ATOM 695 O VAL A 49 -2.365 2.357 1.636 1.00 50.04 O ATOM 696 CB VAL A 49 -0.001 0.645 2.815 1.00 71.55 C ATOM 697 CG1 VAL A 49 0.557 1.793 2.008 1.00 34.33 C ATOM 698 CG2 VAL A 49 0.484 0.752 4.255 1.00 45.03 C ATOM 0 H VAL A 49 -1.459 0.242 0.582 1.00 73.42 H new ATOM 0 HA VAL A 49 -1.794 -0.188 3.547 1.00 30.54 H new ATOM 0 HB VAL A 49 0.406 -0.271 2.387 1.00 71.55 H new ATOM 0 HG11 VAL A 49 1.625 1.889 2.202 1.00 34.33 H new ATOM 0 HG12 VAL A 49 0.396 1.604 0.947 1.00 34.33 H new ATOM 0 HG13 VAL A 49 0.053 2.717 2.292 1.00 34.33 H new ATOM 0 HG21 VAL A 49 1.557 0.943 4.264 1.00 45.03 H new ATOM 0 HG22 VAL A 49 -0.034 1.571 4.754 1.00 45.03 H new ATOM 0 HG23 VAL A 49 0.277 -0.181 4.779 1.00 45.03 H new ATOM 708 N GLU A 50 -3.383 1.756 3.547 1.00 5.20 N ATOM 709 CA GLU A 50 -4.403 2.809 3.568 1.00 11.34 C ATOM 710 C GLU A 50 -4.087 3.834 4.665 1.00 13.30 C ATOM 711 O GLU A 50 -4.183 3.503 5.854 1.00 70.32 O ATOM 712 CB GLU A 50 -5.802 2.188 3.791 1.00 34.31 C ATOM 713 CG GLU A 50 -6.680 2.370 2.558 1.00 52.41 C ATOM 714 CD GLU A 50 -8.184 2.307 2.804 1.00 31.44 C ATOM 715 OE1 GLU A 50 -8.757 1.197 2.827 1.00 70.12 O ATOM 716 OE2 GLU A 50 -8.806 3.393 2.877 1.00 72.24 O ATOM 0 H GLU A 50 -3.453 1.127 4.347 1.00 5.20 H new ATOM 0 HA GLU A 50 -4.400 3.323 2.607 1.00 11.34 H new ATOM 0 HB2 GLU A 50 -5.701 1.127 4.017 1.00 34.31 H new ATOM 0 HB3 GLU A 50 -6.278 2.654 4.654 1.00 34.31 H new ATOM 0 HG2 GLU A 50 -6.444 3.333 2.105 1.00 52.41 H new ATOM 0 HG3 GLU A 50 -6.417 1.603 1.830 1.00 52.41 H new ATOM 721 N PHE A 51 -3.628 5.033 4.301 1.00 3.13 N ATOM 722 CA PHE A 51 -2.982 5.967 5.224 1.00 65.21 C ATOM 723 C PHE A 51 -4.008 6.744 6.060 1.00 51.23 C ATOM 724 O PHE A 51 -5.221 6.549 5.929 1.00 33.21 O ATOM 725 CB PHE A 51 -2.035 6.863 4.393 1.00 51.11 C ATOM 726 CG PHE A 51 -0.696 6.251 4.016 1.00 74.41 C ATOM 727 CD1 PHE A 51 -0.350 4.913 4.300 1.00 63.24 C ATOM 728 CD2 PHE A 51 0.226 7.065 3.343 1.00 72.44 C ATOM 729 CE1 PHE A 51 0.924 4.429 3.962 1.00 45.03 C ATOM 730 CE2 PHE A 51 1.493 6.566 2.988 1.00 72.34 C ATOM 731 CZ PHE A 51 1.846 5.251 3.309 1.00 13.01 C ATOM 0 H PHE A 51 -3.695 5.386 3.346 1.00 3.13 H new ATOM 0 HA PHE A 51 -2.389 5.434 5.967 1.00 65.21 H new ATOM 0 HB2 PHE A 51 -2.551 7.151 3.477 1.00 51.11 H new ATOM 0 HB3 PHE A 51 -1.848 7.778 4.955 1.00 51.11 H new ATOM 0 HD1 PHE A 51 -1.066 4.260 4.778 1.00 63.24 H new ATOM 0 HD2 PHE A 51 -0.038 8.082 3.095 1.00 72.44 H new ATOM 0 HE1 PHE A 51 1.194 3.413 4.209 1.00 45.03 H new ATOM 0 HE2 PHE A 51 2.195 7.200 2.466 1.00 72.34 H new ATOM 0 HZ PHE A 51 2.825 4.873 3.054 1.00 13.01 H new ATOM 740 N SER A 52 -3.524 7.600 6.966 1.00 61.13 N ATOM 741 CA SER A 52 -4.375 8.566 7.646 1.00 33.41 C ATOM 742 C SER A 52 -4.529 9.861 6.843 1.00 25.14 C ATOM 743 O SER A 52 -5.519 10.564 7.055 1.00 50.13 O ATOM 744 CB SER A 52 -3.812 8.912 9.032 1.00 11.30 C ATOM 745 OG SER A 52 -4.474 8.187 10.048 1.00 70.14 O ATOM 0 H SER A 52 -2.543 7.639 7.242 1.00 61.13 H new ATOM 0 HA SER A 52 -5.354 8.097 7.748 1.00 33.41 H new ATOM 0 HB2 SER A 52 -2.745 8.690 9.060 1.00 11.30 H new ATOM 0 HB3 SER A 52 -3.920 9.981 9.215 1.00 11.30 H new ATOM 0 HG SER A 52 -4.095 8.425 10.920 1.00 70.14 H new ATOM 750 N HIS A 53 -3.563 10.232 5.987 1.00 22.42 N ATOM 751 CA HIS A 53 -3.542 11.565 5.399 1.00 54.43 C ATOM 752 C HIS A 53 -3.087 11.559 3.940 1.00 34.31 C ATOM 753 O HIS A 53 -2.156 10.848 3.558 1.00 43.15 O ATOM 754 CB HIS A 53 -2.646 12.517 6.207 1.00 74.05 C ATOM 755 CG HIS A 53 -2.768 12.458 7.709 1.00 30.31 C ATOM 756 ND1 HIS A 53 -3.823 12.924 8.463 1.00 61.15 N ATOM 757 CD2 HIS A 53 -1.820 11.977 8.572 1.00 31.01 C ATOM 758 CE1 HIS A 53 -3.517 12.735 9.755 1.00 34.43 C ATOM 759 NE2 HIS A 53 -2.309 12.156 9.870 1.00 54.15 N ATOM 0 H HIS A 53 -2.796 9.627 5.694 1.00 22.42 H new ATOM 0 HA HIS A 53 -4.572 11.921 5.429 1.00 54.43 H new ATOM 0 HB2 HIS A 53 -1.608 12.313 5.943 1.00 74.05 H new ATOM 0 HB3 HIS A 53 -2.861 13.537 5.889 1.00 74.05 H new ATOM 0 HD2 HIS A 53 -0.870 11.540 8.301 1.00 31.01 H new ATOM 0 HE1 HIS A 53 -4.151 13.009 10.585 1.00 34.43 H new ATOM 0 HE2 HIS A 53 -1.839 11.897 10.738 1.00 54.15 H new ATOM 766 N LEU A 54 -3.672 12.462 3.151 1.00 5.12 N ATOM 767 CA LEU A 54 -3.392 12.636 1.727 1.00 2.13 C ATOM 768 C LEU A 54 -1.939 13.042 1.464 1.00 34.50 C ATOM 769 O LEU A 54 -1.333 12.552 0.506 1.00 63.11 O ATOM 770 CB LEU A 54 -4.333 13.706 1.148 1.00 10.03 C ATOM 771 CG LEU A 54 -5.805 13.260 1.050 1.00 53.45 C ATOM 772 CD1 LEU A 54 -6.694 14.498 0.905 1.00 22.52 C ATOM 773 CD2 LEU A 54 -6.036 12.318 -0.135 1.00 62.31 C ATOM 0 H LEU A 54 -4.376 13.113 3.498 1.00 5.12 H new ATOM 0 HA LEU A 54 -3.558 11.675 1.241 1.00 2.13 H new ATOM 0 HB2 LEU A 54 -4.276 14.600 1.769 1.00 10.03 H new ATOM 0 HB3 LEU A 54 -3.982 13.985 0.155 1.00 10.03 H new ATOM 0 HG LEU A 54 -6.058 12.715 1.959 1.00 53.45 H new ATOM 0 HD11 LEU A 54 -7.737 14.191 0.835 1.00 22.52 H new ATOM 0 HD12 LEU A 54 -6.563 15.143 1.774 1.00 22.52 H new ATOM 0 HD13 LEU A 54 -6.415 15.043 0.003 1.00 22.52 H new ATOM 0 HD21 LEU A 54 -7.086 12.027 -0.169 1.00 62.31 H new ATOM 0 HD22 LEU A 54 -5.771 12.827 -1.062 1.00 62.31 H new ATOM 0 HD23 LEU A 54 -5.416 11.429 -0.019 1.00 62.31 H new ATOM 784 N GLN A 55 -1.361 13.944 2.273 1.00 71.31 N ATOM 785 CA GLN A 55 0.025 14.350 2.043 1.00 50.05 C ATOM 786 C GLN A 55 0.961 13.178 2.323 1.00 50.42 C ATOM 787 O GLN A 55 1.964 13.042 1.637 1.00 32.53 O ATOM 788 CB GLN A 55 0.431 15.631 2.804 1.00 62.43 C ATOM 789 CG GLN A 55 1.057 15.460 4.201 1.00 5.34 C ATOM 790 CD GLN A 55 0.100 14.831 5.203 1.00 22.52 C ATOM 791 OE1 GLN A 55 -1.099 15.088 5.158 1.00 32.11 O ATOM 792 NE2 GLN A 55 0.574 13.973 6.087 1.00 2.33 N ATOM 0 H GLN A 55 -1.819 14.392 3.067 1.00 71.31 H new ATOM 0 HA GLN A 55 0.115 14.623 0.992 1.00 50.05 H new ATOM 0 HB2 GLN A 55 1.139 16.181 2.183 1.00 62.43 H new ATOM 0 HB3 GLN A 55 -0.456 16.256 2.907 1.00 62.43 H new ATOM 0 HG2 GLN A 55 1.950 14.841 4.120 1.00 5.34 H new ATOM 0 HG3 GLN A 55 1.377 16.434 4.573 1.00 5.34 H new ATOM 0 HE21 GLN A 55 1.573 13.768 6.114 1.00 2.33 H new ATOM 0 HE22 GLN A 55 -0.059 13.515 6.743 1.00 2.33 H new ATOM 799 N ASP A 56 0.619 12.311 3.277 1.00 23.21 N ATOM 800 CA ASP A 56 1.477 11.224 3.744 1.00 73.21 C ATOM 801 C ASP A 56 1.733 10.215 2.625 1.00 62.11 C ATOM 802 O ASP A 56 2.828 9.665 2.523 1.00 44.23 O ATOM 803 CB ASP A 56 0.835 10.531 4.961 1.00 13.41 C ATOM 804 CG ASP A 56 1.586 10.720 6.277 1.00 14.22 C ATOM 805 OD1 ASP A 56 2.328 11.713 6.441 1.00 61.35 O ATOM 806 OD2 ASP A 56 1.327 9.907 7.192 1.00 70.43 O ATOM 0 H ASP A 56 -0.281 12.347 3.756 1.00 23.21 H new ATOM 0 HA ASP A 56 2.437 11.644 4.044 1.00 73.21 H new ATOM 0 HB2 ASP A 56 -0.181 10.908 5.082 1.00 13.41 H new ATOM 0 HB3 ASP A 56 0.757 9.464 4.754 1.00 13.41 H new ATOM 810 N ALA A 57 0.750 10.013 1.739 1.00 12.41 N ATOM 811 CA ALA A 57 0.871 9.121 0.593 1.00 31.10 C ATOM 812 C ALA A 57 2.030 9.611 -0.278 1.00 3.12 C ATOM 813 O ALA A 57 2.970 8.880 -0.594 1.00 12.31 O ATOM 814 CB ALA A 57 -0.462 9.076 -0.148 1.00 62.52 C ATOM 0 H ALA A 57 -0.159 10.472 1.804 1.00 12.41 H new ATOM 0 HA ALA A 57 1.097 8.099 0.897 1.00 31.10 H new ATOM 0 HB1 ALA A 57 -0.379 8.410 -1.007 1.00 62.52 H new ATOM 0 HB2 ALA A 57 -1.239 8.708 0.522 1.00 62.52 H new ATOM 0 HB3 ALA A 57 -0.722 10.078 -0.490 1.00 62.52 H new ATOM 820 N THR A 58 1.974 10.903 -0.577 1.00 11.12 N ATOM 821 CA THR A 58 2.969 11.674 -1.289 1.00 30.40 C ATOM 822 C THR A 58 4.320 11.657 -0.569 1.00 22.33 C ATOM 823 O THR A 58 5.356 11.485 -1.205 1.00 42.33 O ATOM 824 CB THR A 58 2.461 13.121 -1.420 1.00 63.12 C ATOM 825 OG1 THR A 58 1.041 13.230 -1.417 1.00 25.50 O ATOM 826 CG2 THR A 58 2.978 13.714 -2.711 1.00 41.43 C ATOM 0 H THR A 58 1.173 11.474 -0.306 1.00 11.12 H new ATOM 0 HA THR A 58 3.121 11.230 -2.273 1.00 30.40 H new ATOM 0 HB THR A 58 2.831 13.658 -0.547 1.00 63.12 H new ATOM 0 HG1 THR A 58 0.785 14.172 -1.501 1.00 25.50 H new ATOM 0 HG21 THR A 58 2.621 14.739 -2.809 1.00 41.43 H new ATOM 0 HG22 THR A 58 4.068 13.708 -2.703 1.00 41.43 H new ATOM 0 HG23 THR A 58 2.618 13.123 -3.553 1.00 41.43 H new ATOM 834 N ARG A 59 4.323 11.834 0.756 1.00 73.41 N ATOM 835 CA ARG A 59 5.524 11.889 1.577 1.00 51.11 C ATOM 836 C ARG A 59 6.330 10.617 1.379 1.00 1.22 C ATOM 837 O ARG A 59 7.537 10.690 1.160 1.00 13.24 O ATOM 838 CB ARG A 59 5.096 12.117 3.034 1.00 42.11 C ATOM 839 CG ARG A 59 6.250 12.231 4.039 1.00 34.33 C ATOM 840 CD ARG A 59 6.053 13.443 4.956 1.00 11.30 C ATOM 841 NE ARG A 59 6.457 14.655 4.234 1.00 73.24 N ATOM 842 CZ ARG A 59 6.018 15.910 4.324 1.00 73.54 C ATOM 843 NH1 ARG A 59 5.036 16.282 5.138 1.00 2.31 N ATOM 844 NH2 ARG A 59 6.607 16.804 3.546 1.00 11.21 N ATOM 0 H ARG A 59 3.465 11.945 1.296 1.00 73.41 H new ATOM 0 HA ARG A 59 6.175 12.714 1.288 1.00 51.11 H new ATOM 0 HB2 ARG A 59 4.500 13.028 3.083 1.00 42.11 H new ATOM 0 HB3 ARG A 59 4.448 11.295 3.339 1.00 42.11 H new ATOM 0 HG2 ARG A 59 6.309 11.322 4.637 1.00 34.33 H new ATOM 0 HG3 ARG A 59 7.196 12.323 3.505 1.00 34.33 H new ATOM 0 HD2 ARG A 59 5.010 13.517 5.264 1.00 11.30 H new ATOM 0 HD3 ARG A 59 6.646 13.329 5.864 1.00 11.30 H new ATOM 0 HE ARG A 59 7.198 14.513 3.548 1.00 73.24 H new ATOM 0 HH11 ARG A 59 4.579 15.592 5.734 1.00 2.31 H new ATOM 0 HH12 ARG A 59 4.739 17.257 5.167 1.00 2.31 H new ATOM 0 HH21 ARG A 59 7.358 16.518 2.918 1.00 11.21 H new ATOM 0 HH22 ARG A 59 6.310 17.779 3.575 1.00 11.21 H new ATOM 855 N TRP A 60 5.666 9.462 1.420 1.00 62.32 N ATOM 856 CA TRP A 60 6.337 8.202 1.172 1.00 52.13 C ATOM 857 C TRP A 60 6.828 8.134 -0.276 1.00 10.41 C ATOM 858 O TRP A 60 7.998 7.819 -0.488 1.00 50.31 O ATOM 859 CB TRP A 60 5.419 7.033 1.546 1.00 71.45 C ATOM 860 CG TRP A 60 6.103 5.745 1.907 1.00 64.42 C ATOM 861 CD1 TRP A 60 7.309 5.610 2.509 1.00 11.33 C ATOM 862 CD2 TRP A 60 5.607 4.385 1.738 1.00 12.33 C ATOM 863 NE1 TRP A 60 7.592 4.273 2.704 1.00 44.14 N ATOM 864 CE2 TRP A 60 6.555 3.474 2.282 1.00 72.43 C ATOM 865 CE3 TRP A 60 4.416 3.838 1.226 1.00 30.50 C ATOM 866 CZ2 TRP A 60 6.317 2.094 2.325 1.00 14.32 C ATOM 867 CZ3 TRP A 60 4.189 2.451 1.197 1.00 34.34 C ATOM 868 CH2 TRP A 60 5.136 1.585 1.754 1.00 63.22 C ATOM 0 H TRP A 60 4.670 9.381 1.622 1.00 62.32 H new ATOM 0 HA TRP A 60 7.221 8.127 1.805 1.00 52.13 H new ATOM 0 HB2 TRP A 60 4.799 7.340 2.388 1.00 71.45 H new ATOM 0 HB3 TRP A 60 4.748 6.842 0.709 1.00 71.45 H new ATOM 0 HD1 TRP A 60 7.954 6.428 2.794 1.00 11.33 H new ATOM 0 HE1 TRP A 60 8.460 3.922 3.109 1.00 44.14 H new ATOM 0 HE3 TRP A 60 3.655 4.502 0.845 1.00 30.50 H new ATOM 0 HZ2 TRP A 60 7.030 1.430 2.790 1.00 14.32 H new ATOM 0 HZ3 TRP A 60 3.290 2.057 0.748 1.00 34.34 H new ATOM 0 HH2 TRP A 60 4.960 0.520 1.746 1.00 63.22 H new ATOM 878 N MET A 61 5.969 8.444 -1.261 1.00 5.33 N ATOM 879 CA MET A 61 6.300 8.404 -2.680 1.00 53.32 C ATOM 880 C MET A 61 7.566 9.190 -2.981 1.00 4.21 C ATOM 881 O MET A 61 8.553 8.608 -3.431 1.00 30.31 O ATOM 882 CB MET A 61 5.128 8.943 -3.512 1.00 50.12 C ATOM 883 CG MET A 61 3.901 8.030 -3.460 1.00 22.12 C ATOM 884 SD MET A 61 3.727 6.987 -4.926 1.00 53.34 S ATOM 885 CE MET A 61 3.208 8.250 -6.105 1.00 21.33 C ATOM 0 H MET A 61 5.008 8.734 -1.081 1.00 5.33 H new ATOM 0 HA MET A 61 6.483 7.364 -2.951 1.00 53.32 H new ATOM 0 HB2 MET A 61 4.855 9.934 -3.149 1.00 50.12 H new ATOM 0 HB3 MET A 61 5.446 9.060 -4.548 1.00 50.12 H new ATOM 0 HG2 MET A 61 3.966 7.395 -2.576 1.00 22.12 H new ATOM 0 HG3 MET A 61 3.006 8.641 -3.349 1.00 22.12 H new ATOM 0 HE1 MET A 61 2.241 7.977 -6.528 1.00 21.33 H new ATOM 0 HE2 MET A 61 3.123 9.210 -5.596 1.00 21.33 H new ATOM 0 HE3 MET A 61 3.945 8.327 -6.904 1.00 21.33 H new ATOM 893 N GLU A 62 7.530 10.507 -2.790 1.00 62.13 N ATOM 894 CA GLU A 62 8.558 11.409 -3.287 1.00 43.22 C ATOM 895 C GLU A 62 9.889 11.116 -2.594 1.00 54.04 C ATOM 896 O GLU A 62 10.934 11.117 -3.240 1.00 32.44 O ATOM 897 CB GLU A 62 8.135 12.872 -3.077 1.00 13.24 C ATOM 898 CG GLU A 62 6.828 13.236 -3.804 1.00 71.15 C ATOM 899 CD GLU A 62 6.378 14.701 -3.664 1.00 51.45 C ATOM 900 OE1 GLU A 62 6.886 15.465 -2.803 1.00 3.12 O ATOM 901 OE2 GLU A 62 5.473 15.106 -4.428 1.00 42.22 O ATOM 0 H GLU A 62 6.781 10.978 -2.283 1.00 62.13 H new ATOM 0 HA GLU A 62 8.686 11.248 -4.357 1.00 43.22 H new ATOM 0 HB2 GLU A 62 8.014 13.059 -2.010 1.00 13.24 H new ATOM 0 HB3 GLU A 62 8.932 13.528 -3.427 1.00 13.24 H new ATOM 0 HG2 GLU A 62 6.947 13.010 -4.864 1.00 71.15 H new ATOM 0 HG3 GLU A 62 6.032 12.592 -3.429 1.00 71.15 H new ATOM 906 N ALA A 63 9.855 10.812 -1.293 1.00 33.32 N ATOM 907 CA ALA A 63 11.062 10.503 -0.538 1.00 25.13 C ATOM 908 C ALA A 63 11.674 9.166 -0.947 1.00 31.24 C ATOM 909 O ALA A 63 12.874 8.992 -0.749 1.00 2.21 O ATOM 910 CB ALA A 63 10.764 10.513 0.965 1.00 52.04 C ATOM 0 H ALA A 63 8.997 10.775 -0.743 1.00 33.32 H new ATOM 0 HA ALA A 63 11.794 11.277 -0.767 1.00 25.13 H new ATOM 0 HB1 ALA A 63 11.674 10.281 1.518 1.00 52.04 H new ATOM 0 HB2 ALA A 63 10.403 11.499 1.258 1.00 52.04 H new ATOM 0 HB3 ALA A 63 10.002 9.766 1.190 1.00 52.04 H new ATOM 916 N ASN A 64 10.892 8.246 -1.517 1.00 33.22 N ATOM 917 CA ASN A 64 11.390 6.977 -2.043 1.00 63.32 C ATOM 918 C ASN A 64 11.571 7.048 -3.556 1.00 24.21 C ATOM 919 O ASN A 64 11.801 6.026 -4.191 1.00 23.53 O ATOM 920 CB ASN A 64 10.475 5.805 -1.647 1.00 52.44 C ATOM 921 CG ASN A 64 10.660 5.454 -0.183 1.00 64.35 C ATOM 922 OD1 ASN A 64 11.423 4.554 0.168 1.00 5.30 O ATOM 923 ND2 ASN A 64 10.007 6.170 0.704 1.00 54.11 N ATOM 0 H ASN A 64 9.885 8.364 -1.626 1.00 33.22 H new ATOM 0 HA ASN A 64 12.367 6.794 -1.595 1.00 63.32 H new ATOM 0 HB2 ASN A 64 9.434 6.070 -1.834 1.00 52.44 H new ATOM 0 HB3 ASN A 64 10.699 4.936 -2.266 1.00 52.44 H new ATOM 0 HD21 ASN A 64 10.129 5.984 1.699 1.00 54.11 H new ATOM 0 HD22 ASN A 64 9.378 6.912 0.397 1.00 54.11 H new ATOM 929 N GLN A 65 11.449 8.226 -4.174 1.00 31.10 N ATOM 930 CA GLN A 65 11.614 8.412 -5.618 1.00 65.52 C ATOM 931 C GLN A 65 10.591 7.578 -6.413 1.00 12.11 C ATOM 932 O GLN A 65 10.774 7.315 -7.604 1.00 43.45 O ATOM 933 CB GLN A 65 13.078 8.160 -6.047 1.00 45.22 C ATOM 934 CG GLN A 65 14.072 8.846 -5.096 1.00 31.51 C ATOM 935 CD GLN A 65 15.535 8.826 -5.535 1.00 10.43 C ATOM 936 OE1 GLN A 65 15.884 8.636 -6.700 1.00 23.14 O ATOM 937 NE2 GLN A 65 16.442 9.062 -4.602 1.00 12.02 N ATOM 0 H GLN A 65 11.230 9.090 -3.678 1.00 31.10 H new ATOM 0 HA GLN A 65 11.401 9.453 -5.859 1.00 65.52 H new ATOM 0 HB2 GLN A 65 13.273 7.088 -6.066 1.00 45.22 H new ATOM 0 HB3 GLN A 65 13.229 8.530 -7.061 1.00 45.22 H new ATOM 0 HG2 GLN A 65 13.765 9.884 -4.967 1.00 31.51 H new ATOM 0 HG3 GLN A 65 13.999 8.369 -4.119 1.00 31.51 H new ATOM 0 HE21 GLN A 65 16.152 9.219 -3.637 1.00 12.02 H new ATOM 0 HE22 GLN A 65 17.432 9.087 -4.848 1.00 12.02 H new ATOM 944 N HIS A 66 9.483 7.200 -5.763 1.00 3.00 N ATOM 945 CA HIS A 66 8.446 6.282 -6.221 1.00 52.15 C ATOM 946 C HIS A 66 8.926 4.826 -6.385 1.00 74.41 C ATOM 947 O HIS A 66 8.287 4.067 -7.122 1.00 64.31 O ATOM 948 CB HIS A 66 7.745 6.771 -7.499 1.00 31.21 C ATOM 949 CG HIS A 66 7.196 8.178 -7.565 1.00 43.25 C ATOM 950 ND1 HIS A 66 6.552 8.684 -8.669 1.00 11.10 N ATOM 951 CD2 HIS A 66 7.228 9.175 -6.625 1.00 22.53 C ATOM 952 CE1 HIS A 66 6.220 9.953 -8.416 1.00 23.23 C ATOM 953 NE2 HIS A 66 6.637 10.310 -7.189 1.00 41.03 N ATOM 0 H HIS A 66 9.277 7.559 -4.831 1.00 3.00 H new ATOM 0 HA HIS A 66 7.713 6.278 -5.414 1.00 52.15 H new ATOM 0 HB2 HIS A 66 8.453 6.660 -8.321 1.00 31.21 H new ATOM 0 HB3 HIS A 66 6.917 6.090 -7.697 1.00 31.21 H new ATOM 0 HD2 HIS A 66 7.636 9.098 -5.628 1.00 22.53 H new ATOM 0 HE1 HIS A 66 5.692 10.600 -9.100 1.00 23.23 H new ATOM 0 HE2 HIS A 66 6.541 11.228 -6.755 1.00 41.03 H new ATOM 960 N SER A 67 9.992 4.393 -5.711 1.00 72.12 N ATOM 961 CA SER A 67 10.343 2.980 -5.644 1.00 23.50 C ATOM 962 C SER A 67 10.954 2.651 -4.282 1.00 71.22 C ATOM 963 O SER A 67 12.017 3.163 -3.934 1.00 54.11 O ATOM 964 CB SER A 67 11.260 2.586 -6.805 1.00 63.35 C ATOM 965 OG SER A 67 12.124 3.623 -7.253 1.00 41.42 O ATOM 0 H SER A 67 10.628 5.007 -5.202 1.00 72.12 H new ATOM 0 HA SER A 67 9.436 2.385 -5.748 1.00 23.50 H new ATOM 0 HB2 SER A 67 11.865 1.733 -6.500 1.00 63.35 H new ATOM 0 HB3 SER A 67 10.644 2.257 -7.642 1.00 63.35 H new ATOM 0 HG SER A 67 12.676 3.292 -7.992 1.00 41.42 H new ATOM 970 N LEU A 68 10.295 1.797 -3.500 1.00 50.42 N ATOM 971 CA LEU A 68 10.822 1.314 -2.225 1.00 24.44 C ATOM 972 C LEU A 68 11.898 0.255 -2.463 1.00 61.53 C ATOM 973 O LEU A 68 12.171 -0.120 -3.611 1.00 52.45 O ATOM 974 CB LEU A 68 9.721 0.677 -1.370 1.00 33.20 C ATOM 975 CG LEU A 68 8.383 1.414 -1.247 1.00 70.23 C ATOM 976 CD1 LEU A 68 7.417 0.533 -0.462 1.00 11.10 C ATOM 977 CD2 LEU A 68 8.549 2.754 -0.541 1.00 30.31 C ATOM 0 H LEU A 68 9.377 1.419 -3.734 1.00 50.42 H new ATOM 0 HA LEU A 68 11.238 2.176 -1.704 1.00 24.44 H new ATOM 0 HB2 LEU A 68 9.519 -0.315 -1.773 1.00 33.20 H new ATOM 0 HB3 LEU A 68 10.118 0.538 -0.365 1.00 33.20 H new ATOM 0 HG LEU A 68 7.995 1.613 -2.246 1.00 70.23 H new ATOM 0 HD11 LEU A 68 6.458 1.042 -0.364 1.00 11.10 H new ATOM 0 HD12 LEU A 68 7.275 -0.411 -0.989 1.00 11.10 H new ATOM 0 HD13 LEU A 68 7.826 0.337 0.529 1.00 11.10 H new ATOM 0 HD21 LEU A 68 7.581 3.250 -0.471 1.00 30.31 H new ATOM 0 HD22 LEU A 68 8.947 2.591 0.461 1.00 30.31 H new ATOM 0 HD23 LEU A 68 9.238 3.381 -1.107 1.00 30.31 H new ATOM 988 N ASN A 69 12.469 -0.274 -1.375 1.00 2.23 N ATOM 989 CA ASN A 69 13.433 -1.360 -1.441 1.00 73.22 C ATOM 990 C ASN A 69 13.224 -2.316 -0.267 1.00 13.11 C ATOM 991 O ASN A 69 13.592 -1.972 0.852 1.00 4.41 O ATOM 992 CB ASN A 69 14.852 -0.790 -1.492 1.00 74.42 C ATOM 993 CG ASN A 69 15.844 -1.905 -1.806 1.00 52.31 C ATOM 994 OD1 ASN A 69 16.416 -2.509 -0.906 1.00 5.20 O ATOM 995 ND2 ASN A 69 16.059 -2.228 -3.070 1.00 22.44 N ATOM 0 H ASN A 69 12.271 0.044 -0.427 1.00 2.23 H new ATOM 0 HA ASN A 69 13.284 -1.938 -2.353 1.00 73.22 H new ATOM 0 HB2 ASN A 69 14.914 -0.011 -2.252 1.00 74.42 H new ATOM 0 HB3 ASN A 69 15.102 -0.326 -0.538 1.00 74.42 H new ATOM 0 HD21 ASN A 69 16.704 -2.984 -3.301 1.00 22.44 H new ATOM 0 HD22 ASN A 69 15.580 -1.721 -3.814 1.00 22.44 H new ATOM 1001 N ILE A 70 12.578 -3.466 -0.482 1.00 62.52 N ATOM 1002 CA ILE A 70 12.247 -4.455 0.541 1.00 63.34 C ATOM 1003 C ILE A 70 12.824 -5.799 0.107 1.00 45.05 C ATOM 1004 O ILE A 70 12.689 -6.180 -1.054 1.00 4.40 O ATOM 1005 CB ILE A 70 10.716 -4.500 0.728 1.00 64.53 C ATOM 1006 CG1 ILE A 70 10.214 -3.161 1.291 1.00 70.45 C ATOM 1007 CG2 ILE A 70 10.255 -5.627 1.661 1.00 64.12 C ATOM 1008 CD1 ILE A 70 9.553 -2.293 0.232 1.00 54.04 C ATOM 0 H ILE A 70 12.260 -3.742 -1.411 1.00 62.52 H new ATOM 0 HA ILE A 70 12.680 -4.194 1.507 1.00 63.34 H new ATOM 0 HB ILE A 70 10.294 -4.692 -0.259 1.00 64.53 H new ATOM 0 HG12 ILE A 70 9.503 -3.353 2.094 1.00 70.45 H new ATOM 0 HG13 ILE A 70 11.052 -2.618 1.729 1.00 70.45 H new ATOM 0 HG21 ILE A 70 9.169 -5.604 1.750 1.00 64.12 H new ATOM 0 HG22 ILE A 70 10.565 -6.588 1.251 1.00 64.12 H new ATOM 0 HG23 ILE A 70 10.703 -5.491 2.645 1.00 64.12 H new ATOM 0 HD11 ILE A 70 9.217 -1.360 0.684 1.00 54.04 H new ATOM 0 HD12 ILE A 70 10.270 -2.075 -0.560 1.00 54.04 H new ATOM 0 HD13 ILE A 70 8.697 -2.821 -0.189 1.00 54.04 H new ATOM 1019 N LEU A 71 13.484 -6.510 1.026 1.00 74.23 N ATOM 1020 CA LEU A 71 14.305 -7.702 0.793 1.00 70.55 C ATOM 1021 C LEU A 71 15.419 -7.423 -0.231 1.00 22.24 C ATOM 1022 O LEU A 71 16.011 -8.359 -0.765 1.00 14.01 O ATOM 1023 CB LEU A 71 13.443 -8.945 0.454 1.00 12.20 C ATOM 1024 CG LEU A 71 12.792 -9.635 1.671 1.00 42.05 C ATOM 1025 CD1 LEU A 71 11.638 -8.817 2.237 1.00 2.32 C ATOM 1026 CD2 LEU A 71 12.179 -10.979 1.273 1.00 62.41 C ATOM 0 H LEU A 71 13.458 -6.253 2.013 1.00 74.23 H new ATOM 0 HA LEU A 71 14.810 -7.950 1.727 1.00 70.55 H new ATOM 0 HB2 LEU A 71 12.657 -8.646 -0.239 1.00 12.20 H new ATOM 0 HB3 LEU A 71 14.067 -9.671 -0.066 1.00 12.20 H new ATOM 0 HG LEU A 71 13.590 -9.749 2.405 1.00 42.05 H new ATOM 0 HD11 LEU A 71 11.208 -9.338 3.092 1.00 2.32 H new ATOM 0 HD12 LEU A 71 12.005 -7.841 2.554 1.00 2.32 H new ATOM 0 HD13 LEU A 71 10.874 -8.686 1.470 1.00 2.32 H new ATOM 0 HD21 LEU A 71 11.726 -11.446 2.148 1.00 62.41 H new ATOM 0 HD22 LEU A 71 11.416 -10.820 0.511 1.00 62.41 H new ATOM 0 HD23 LEU A 71 12.957 -11.631 0.876 1.00 62.41 H new ATOM 1037 N GLY A 72 15.732 -6.151 -0.495 1.00 23.33 N ATOM 1038 CA GLY A 72 16.661 -5.732 -1.532 1.00 4.41 C ATOM 1039 C GLY A 72 15.986 -5.544 -2.890 1.00 64.42 C ATOM 1040 O GLY A 72 16.619 -5.020 -3.804 1.00 73.25 O ATOM 0 H GLY A 72 15.332 -5.369 0.024 1.00 23.33 H new ATOM 0 HA2 GLY A 72 17.134 -4.796 -1.234 1.00 4.41 H new ATOM 0 HA3 GLY A 72 17.454 -6.474 -1.625 1.00 4.41 H new ATOM 1044 N GLN A 73 14.720 -5.940 -3.054 1.00 4.42 N ATOM 1045 CA GLN A 73 13.980 -5.847 -4.279 1.00 13.33 C ATOM 1046 C GLN A 73 13.514 -4.415 -4.474 1.00 12.31 C ATOM 1047 O GLN A 73 13.007 -3.780 -3.550 1.00 2.04 O ATOM 1048 CB GLN A 73 12.758 -6.749 -4.117 1.00 1.20 C ATOM 1049 CG GLN A 73 12.201 -7.159 -5.463 1.00 23.33 C ATOM 1050 CD GLN A 73 11.081 -8.190 -5.415 1.00 22.53 C ATOM 1051 OE1 GLN A 73 10.183 -8.200 -6.254 1.00 62.21 O ATOM 1052 NE2 GLN A 73 11.160 -9.150 -4.514 1.00 31.51 N ATOM 0 H GLN A 73 14.176 -6.349 -2.294 1.00 4.42 H new ATOM 0 HA GLN A 73 14.588 -6.143 -5.134 1.00 13.33 H new ATOM 0 HB2 GLN A 73 13.031 -7.637 -3.547 1.00 1.20 H new ATOM 0 HB3 GLN A 73 11.990 -6.227 -3.546 1.00 1.20 H new ATOM 0 HG2 GLN A 73 11.832 -6.269 -5.972 1.00 23.33 H new ATOM 0 HG3 GLN A 73 13.015 -7.558 -6.069 1.00 23.33 H new ATOM 0 HE21 GLN A 73 11.907 -9.138 -3.820 1.00 31.51 H new ATOM 0 HE22 GLN A 73 10.474 -9.905 -4.512 1.00 31.51 H new ATOM 1059 N LYS A 74 13.567 -3.957 -5.716 1.00 22.43 N ATOM 1060 CA LYS A 74 12.935 -2.722 -6.141 1.00 43.12 C ATOM 1061 C LYS A 74 11.436 -2.971 -6.192 1.00 70.32 C ATOM 1062 O LYS A 74 10.991 -3.804 -6.982 1.00 51.14 O ATOM 1063 CB LYS A 74 13.501 -2.292 -7.501 1.00 3.13 C ATOM 1064 CG LYS A 74 12.740 -1.083 -8.056 1.00 11.03 C ATOM 1065 CD LYS A 74 13.541 -0.329 -9.121 1.00 52.21 C ATOM 1066 CE LYS A 74 14.430 0.748 -8.484 1.00 73.11 C ATOM 1067 NZ LYS A 74 14.951 1.698 -9.486 1.00 51.05 N ATOM 0 H LYS A 74 14.059 -4.442 -6.467 1.00 22.43 H new ATOM 0 HA LYS A 74 13.136 -1.907 -5.446 1.00 43.12 H new ATOM 0 HB2 LYS A 74 14.557 -2.045 -7.397 1.00 3.13 H new ATOM 0 HB3 LYS A 74 13.435 -3.122 -8.205 1.00 3.13 H new ATOM 0 HG2 LYS A 74 11.795 -1.417 -8.485 1.00 11.03 H new ATOM 0 HG3 LYS A 74 12.497 -0.404 -7.239 1.00 11.03 H new ATOM 0 HD2 LYS A 74 14.159 -1.031 -9.680 1.00 52.21 H new ATOM 0 HD3 LYS A 74 12.859 0.133 -9.834 1.00 52.21 H new ATOM 0 HE2 LYS A 74 13.858 1.292 -7.732 1.00 73.11 H new ATOM 0 HE3 LYS A 74 15.264 0.272 -7.968 1.00 73.11 H new ATOM 0 HZ1 LYS A 74 15.546 2.409 -9.014 1.00 51.05 H new ATOM 0 HZ2 LYS A 74 15.518 1.184 -10.190 1.00 51.05 H new ATOM 0 HZ3 LYS A 74 14.156 2.172 -9.961 1.00 51.05 H new ATOM 1077 N VAL A 75 10.663 -2.260 -5.384 1.00 5.00 N ATOM 1078 CA VAL A 75 9.211 -2.359 -5.343 1.00 4.43 C ATOM 1079 C VAL A 75 8.686 -1.037 -5.890 1.00 45.31 C ATOM 1080 O VAL A 75 9.103 0.030 -5.435 1.00 50.32 O ATOM 1081 CB VAL A 75 8.772 -2.571 -3.885 1.00 4.32 C ATOM 1082 CG1 VAL A 75 7.262 -2.759 -3.763 1.00 54.21 C ATOM 1083 CG2 VAL A 75 9.500 -3.727 -3.179 1.00 33.53 C ATOM 0 H VAL A 75 11.038 -1.581 -4.722 1.00 5.00 H new ATOM 0 HA VAL A 75 8.827 -3.193 -5.930 1.00 4.43 H new ATOM 0 HB VAL A 75 9.059 -1.652 -3.374 1.00 4.32 H new ATOM 0 HG11 VAL A 75 6.997 -2.905 -2.716 1.00 54.21 H new ATOM 0 HG12 VAL A 75 6.753 -1.874 -4.146 1.00 54.21 H new ATOM 0 HG13 VAL A 75 6.956 -3.632 -4.340 1.00 54.21 H new ATOM 0 HG21 VAL A 75 9.137 -3.814 -2.155 1.00 33.53 H new ATOM 0 HG22 VAL A 75 9.308 -4.658 -3.713 1.00 33.53 H new ATOM 0 HG23 VAL A 75 10.572 -3.529 -3.168 1.00 33.53 H new ATOM 1093 N SER A 76 7.763 -1.087 -6.845 1.00 64.22 N ATOM 1094 CA SER A 76 7.114 0.114 -7.348 1.00 44.11 C ATOM 1095 C SER A 76 5.977 0.489 -6.404 1.00 22.31 C ATOM 1096 O SER A 76 5.414 -0.408 -5.771 1.00 24.14 O ATOM 1097 CB SER A 76 6.561 -0.167 -8.740 1.00 13.10 C ATOM 1098 OG SER A 76 5.655 -1.264 -8.708 1.00 21.10 O ATOM 0 H SER A 76 7.448 -1.951 -7.286 1.00 64.22 H new ATOM 0 HA SER A 76 7.827 0.936 -7.403 1.00 44.11 H new ATOM 0 HB2 SER A 76 6.054 0.719 -9.121 1.00 13.10 H new ATOM 0 HB3 SER A 76 7.380 -0.385 -9.425 1.00 13.10 H new ATOM 0 HG SER A 76 5.309 -1.429 -9.610 1.00 21.10 H new ATOM 1103 N MET A 77 5.542 1.746 -6.414 1.00 63.21 N ATOM 1104 CA MET A 77 4.429 2.230 -5.605 1.00 33.54 C ATOM 1105 C MET A 77 3.491 3.048 -6.483 1.00 72.41 C ATOM 1106 O MET A 77 3.954 3.788 -7.351 1.00 52.25 O ATOM 1107 CB MET A 77 4.942 3.007 -4.379 1.00 42.24 C ATOM 1108 CG MET A 77 5.931 4.130 -4.694 1.00 51.04 C ATOM 1109 SD MET A 77 7.216 4.432 -3.445 1.00 22.32 S ATOM 1110 CE MET A 77 6.223 4.886 -2.000 1.00 10.01 C ATOM 0 H MET A 77 5.962 2.470 -6.996 1.00 63.21 H new ATOM 0 HA MET A 77 3.860 1.389 -5.209 1.00 33.54 H new ATOM 0 HB2 MET A 77 4.087 3.433 -3.854 1.00 42.24 H new ATOM 0 HB3 MET A 77 5.419 2.304 -3.696 1.00 42.24 H new ATOM 0 HG2 MET A 77 6.419 3.902 -5.641 1.00 51.04 H new ATOM 0 HG3 MET A 77 5.369 5.053 -4.839 1.00 51.04 H new ATOM 0 HE1 MET A 77 6.844 5.429 -1.288 1.00 10.01 H new ATOM 0 HE2 MET A 77 5.393 5.519 -2.313 1.00 10.01 H new ATOM 0 HE3 MET A 77 5.834 3.984 -1.528 1.00 10.01 H new ATOM 1118 N HIS A 78 2.184 2.887 -6.284 1.00 11.10 N ATOM 1119 CA HIS A 78 1.128 3.455 -7.114 1.00 62.24 C ATOM 1120 C HIS A 78 -0.082 3.838 -6.252 1.00 25.53 C ATOM 1121 O HIS A 78 -0.427 3.124 -5.299 1.00 45.15 O ATOM 1122 CB HIS A 78 0.651 2.419 -8.146 1.00 53.33 C ATOM 1123 CG HIS A 78 1.560 2.135 -9.325 1.00 51.15 C ATOM 1124 ND1 HIS A 78 1.316 2.538 -10.617 1.00 51.03 N ATOM 1125 CD2 HIS A 78 2.681 1.344 -9.357 1.00 54.15 C ATOM 1126 CE1 HIS A 78 2.290 2.055 -11.401 1.00 10.11 C ATOM 1127 NE2 HIS A 78 3.117 1.266 -10.689 1.00 4.30 N ATOM 0 H HIS A 78 1.819 2.335 -5.508 1.00 11.10 H new ATOM 0 HA HIS A 78 1.534 4.336 -7.612 1.00 62.24 H new ATOM 0 HB2 HIS A 78 0.476 1.479 -7.623 1.00 53.33 H new ATOM 0 HB3 HIS A 78 -0.311 2.751 -8.536 1.00 53.33 H new ATOM 0 HD2 HIS A 78 3.146 0.866 -8.507 1.00 54.15 H new ATOM 0 HE1 HIS A 78 2.396 2.268 -12.454 1.00 10.11 H new ATOM 0 HE2 HIS A 78 3.902 0.721 -11.046 1.00 4.30 H new ATOM 1134 N TYR A 79 -0.762 4.924 -6.636 1.00 25.21 N ATOM 1135 CA TYR A 79 -1.951 5.434 -5.975 1.00 61.15 C ATOM 1136 C TYR A 79 -3.164 4.585 -6.351 1.00 64.45 C ATOM 1137 O TYR A 79 -3.954 4.953 -7.222 1.00 70.41 O ATOM 1138 CB TYR A 79 -2.179 6.909 -6.347 1.00 64.41 C ATOM 1139 CG TYR A 79 -1.188 7.904 -5.775 1.00 11.14 C ATOM 1140 CD1 TYR A 79 -0.908 7.906 -4.394 1.00 21.22 C ATOM 1141 CD2 TYR A 79 -0.607 8.884 -6.605 1.00 43.24 C ATOM 1142 CE1 TYR A 79 -0.035 8.861 -3.853 1.00 14.22 C ATOM 1143 CE2 TYR A 79 0.227 9.875 -6.056 1.00 50.34 C ATOM 1144 CZ TYR A 79 0.511 9.865 -4.673 1.00 4.04 C ATOM 1145 OH TYR A 79 1.309 10.809 -4.115 1.00 73.41 O ATOM 0 H TYR A 79 -0.485 5.484 -7.442 1.00 25.21 H new ATOM 0 HA TYR A 79 -1.809 5.374 -4.896 1.00 61.15 H new ATOM 0 HB2 TYR A 79 -2.163 6.995 -7.433 1.00 64.41 H new ATOM 0 HB3 TYR A 79 -3.179 7.194 -6.020 1.00 64.41 H new ATOM 0 HD1 TYR A 79 -1.367 7.170 -3.750 1.00 21.22 H new ATOM 0 HD2 TYR A 79 -0.803 8.874 -7.667 1.00 43.24 H new ATOM 0 HE1 TYR A 79 0.219 8.825 -2.804 1.00 14.22 H new ATOM 0 HE2 TYR A 79 0.649 10.641 -6.690 1.00 50.34 H new ATOM 0 HH TYR A 79 1.611 11.433 -4.808 1.00 73.41 H new ATOM 1154 N SER A 80 -3.338 3.441 -5.698 1.00 45.21 N ATOM 1155 CA SER A 80 -4.540 2.631 -5.831 1.00 62.52 C ATOM 1156 C SER A 80 -5.572 3.109 -4.806 1.00 3.34 C ATOM 1157 O SER A 80 -5.999 2.321 -3.968 1.00 3.22 O ATOM 1158 CB SER A 80 -4.160 1.157 -5.649 1.00 30.30 C ATOM 1159 OG SER A 80 -5.174 0.289 -6.116 1.00 21.30 O ATOM 0 H SER A 80 -2.646 3.049 -5.059 1.00 45.21 H new ATOM 0 HA SER A 80 -4.989 2.735 -6.819 1.00 62.52 H new ATOM 0 HB2 SER A 80 -3.233 0.953 -6.184 1.00 30.30 H new ATOM 0 HB3 SER A 80 -3.970 0.959 -4.594 1.00 30.30 H new ATOM 0 HG SER A 80 -5.228 -0.496 -5.531 1.00 21.30 H new