USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 572 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 11 ASN : amide:sc= -0.208 K(o=0.99,f=0.49) USER MOD Set 1.2: A 83 THR OG1 : rot -58:sc= 1.2 USER MOD Set 2.1: A 33 SER OG : rot -169:sc= -0.387! USER MOD Set 2.2: A 70 ASN : amide:sc= -0.216 K(o=-0.6,f=-1.2) USER MOD Single : A 9 MET CE :methyl 175:sc= -0.606 (180deg=-0.652) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.0254 (180deg=-0.241) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -48:sc= 1.14 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -114:sc= 0.15 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 119:sc= 0.00479 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 68 HIS : no HD1:sc= -0.36 X(o=-0.36,f=0.086) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= 1.14 (180deg=0.91) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -120:sc=-0.00179 USER MOD Single : A 86 MET CE :methyl 165:sc= -0.484 (180deg=-0.963) USER MOD Single : A 87 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.005) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -12.865 -15.139 8.202 1.00 44.34 N ATOM 38 CA VAL A 5 -13.182 -13.894 7.563 1.00 33.20 C ATOM 39 C VAL A 5 -14.693 -13.835 7.305 1.00 23.54 C ATOM 40 O VAL A 5 -15.262 -14.778 6.740 1.00 65.22 O ATOM 41 CB VAL A 5 -12.409 -13.741 6.229 1.00 62.02 C ATOM 42 CG1 VAL A 5 -12.686 -12.391 5.587 1.00 64.20 C ATOM 43 CG2 VAL A 5 -10.914 -13.927 6.446 1.00 3.43 C ATOM 0 HA VAL A 5 -12.885 -13.075 8.218 1.00 33.20 H new ATOM 0 HB VAL A 5 -12.760 -14.519 5.551 1.00 62.02 H new ATOM 0 HG11 VAL A 5 -12.130 -12.312 4.653 1.00 64.20 H new ATOM 0 HG12 VAL A 5 -13.753 -12.297 5.384 1.00 64.20 H new ATOM 0 HG13 VAL A 5 -12.374 -11.595 6.264 1.00 64.20 H new ATOM 0 HG21 VAL A 5 -10.392 -13.815 5.496 1.00 3.43 H new ATOM 0 HG22 VAL A 5 -10.552 -13.177 7.149 1.00 3.43 H new ATOM 0 HG23 VAL A 5 -10.726 -14.922 6.849 1.00 3.43 H new ATOM 53 N PRO A 6 -15.365 -12.739 7.715 1.00 71.32 N ATOM 54 CA PRO A 6 -16.812 -12.605 7.558 1.00 71.32 C ATOM 55 C PRO A 6 -17.211 -12.413 6.115 1.00 22.52 C ATOM 56 O PRO A 6 -16.455 -11.818 5.317 1.00 72.42 O ATOM 57 CB PRO A 6 -17.168 -11.329 8.333 1.00 42.02 C ATOM 58 CG PRO A 6 -15.929 -10.896 9.033 1.00 51.43 C ATOM 59 CD PRO A 6 -14.773 -11.544 8.335 1.00 40.14 C ATOM 0 HA PRO A 6 -17.322 -13.501 7.913 1.00 71.32 H new ATOM 0 HB2 PRO A 6 -17.523 -10.551 7.657 1.00 42.02 H new ATOM 0 HB3 PRO A 6 -17.969 -11.520 9.047 1.00 42.02 H new ATOM 0 HG2 PRO A 6 -15.833 -9.810 9.008 1.00 51.43 H new ATOM 0 HG3 PRO A 6 -15.958 -11.190 10.082 1.00 51.43 H new ATOM 0 HD2 PRO A 6 -14.334 -10.882 7.589 1.00 40.14 H new ATOM 0 HD3 PRO A 6 -13.979 -11.807 9.034 1.00 40.14 H new ATOM 67 N ALA A 7 -18.390 -12.880 5.769 1.00 52.12 N ATOM 68 CA ALA A 7 -18.908 -12.688 4.453 1.00 61.13 C ATOM 69 C ALA A 7 -19.484 -11.301 4.358 1.00 25.34 C ATOM 70 O ALA A 7 -20.695 -11.088 4.472 1.00 25.22 O ATOM 71 CB ALA A 7 -19.931 -13.736 4.075 1.00 62.12 C ATOM 0 H ALA A 7 -19.006 -13.399 6.395 1.00 52.12 H new ATOM 0 HA ALA A 7 -18.092 -12.799 3.739 1.00 61.13 H new ATOM 0 HB1 ALA A 7 -20.293 -13.544 3.065 1.00 62.12 H new ATOM 0 HB2 ALA A 7 -19.472 -14.724 4.114 1.00 62.12 H new ATOM 0 HB3 ALA A 7 -20.767 -13.697 4.773 1.00 62.12 H new ATOM 77 N ASP A 8 -18.583 -10.367 4.268 1.00 71.04 N ATOM 78 CA ASP A 8 -18.874 -8.947 4.160 1.00 65.53 C ATOM 79 C ASP A 8 -17.571 -8.232 3.879 1.00 13.20 C ATOM 80 O ASP A 8 -17.535 -7.159 3.269 1.00 4.02 O ATOM 81 CB ASP A 8 -19.491 -8.423 5.477 1.00 51.31 C ATOM 82 CG ASP A 8 -19.879 -6.960 5.426 1.00 43.34 C ATOM 83 OD1 ASP A 8 -20.903 -6.631 4.793 1.00 52.15 O ATOM 84 OD2 ASP A 8 -19.200 -6.122 6.051 1.00 44.55 O ATOM 0 H ASP A 8 -17.583 -10.570 4.267 1.00 71.04 H new ATOM 0 HA ASP A 8 -19.591 -8.768 3.359 1.00 65.53 H new ATOM 0 HB2 ASP A 8 -20.374 -9.016 5.716 1.00 51.31 H new ATOM 0 HB3 ASP A 8 -18.778 -8.573 6.287 1.00 51.31 H new ATOM 89 N MET A 9 -16.487 -8.860 4.304 1.00 20.42 N ATOM 90 CA MET A 9 -15.160 -8.314 4.126 1.00 1.34 C ATOM 91 C MET A 9 -14.369 -9.198 3.192 1.00 72.13 C ATOM 92 O MET A 9 -14.534 -10.428 3.189 1.00 61.02 O ATOM 93 CB MET A 9 -14.428 -8.230 5.474 1.00 70.21 C ATOM 94 CG MET A 9 -15.134 -7.384 6.516 1.00 23.32 C ATOM 95 SD MET A 9 -15.248 -5.635 6.080 1.00 41.43 S ATOM 96 CE MET A 9 -13.527 -5.153 6.133 1.00 14.43 C ATOM 0 H MET A 9 -16.507 -9.761 4.781 1.00 20.42 H new ATOM 0 HA MET A 9 -15.251 -7.313 3.705 1.00 1.34 H new ATOM 0 HB2 MET A 9 -14.300 -9.238 5.868 1.00 70.21 H new ATOM 0 HB3 MET A 9 -13.431 -7.823 5.308 1.00 70.21 H new ATOM 0 HG2 MET A 9 -16.139 -7.777 6.669 1.00 23.32 H new ATOM 0 HG3 MET A 9 -14.607 -7.479 7.465 1.00 23.32 H new ATOM 0 HE1 MET A 9 -13.428 -4.120 5.799 1.00 14.43 H new ATOM 0 HE2 MET A 9 -13.156 -5.242 7.154 1.00 14.43 H new ATOM 0 HE3 MET A 9 -12.947 -5.803 5.478 1.00 14.43 H new ATOM 106 N ILE A 10 -13.540 -8.597 2.403 1.00 74.33 N ATOM 107 CA ILE A 10 -12.664 -9.334 1.534 1.00 33.31 C ATOM 108 C ILE A 10 -11.234 -9.293 2.075 1.00 20.33 C ATOM 109 O ILE A 10 -10.764 -8.252 2.555 1.00 10.13 O ATOM 110 CB ILE A 10 -12.790 -8.903 0.012 1.00 23.24 C ATOM 111 CG1 ILE A 10 -12.641 -7.403 -0.228 1.00 54.21 C ATOM 112 CG2 ILE A 10 -14.076 -9.369 -0.595 1.00 30.35 C ATOM 113 CD1 ILE A 10 -11.238 -6.892 -0.283 1.00 53.32 C ATOM 0 H ILE A 10 -13.446 -7.583 2.338 1.00 74.33 H new ATOM 0 HA ILE A 10 -12.980 -10.377 1.535 1.00 33.31 H new ATOM 0 HB ILE A 10 -11.949 -9.396 -0.476 1.00 23.24 H new ATOM 0 HG12 ILE A 10 -13.136 -7.153 -1.166 1.00 54.21 H new ATOM 0 HG13 ILE A 10 -13.171 -6.873 0.563 1.00 54.21 H new ATOM 0 HG21 ILE A 10 -14.122 -9.053 -1.637 1.00 30.35 H new ATOM 0 HG22 ILE A 10 -14.130 -10.456 -0.543 1.00 30.35 H new ATOM 0 HG23 ILE A 10 -14.914 -8.937 -0.048 1.00 30.35 H new ATOM 0 HD11 ILE A 10 -11.249 -5.816 -0.458 1.00 53.32 H new ATOM 0 HD12 ILE A 10 -10.737 -7.101 0.662 1.00 53.32 H new ATOM 0 HD13 ILE A 10 -10.703 -7.386 -1.094 1.00 53.32 H new ATOM 125 N ASN A 11 -10.573 -10.418 2.068 1.00 71.22 N ATOM 126 CA ASN A 11 -9.226 -10.493 2.591 1.00 71.44 C ATOM 127 C ASN A 11 -8.267 -10.201 1.488 1.00 5.34 C ATOM 128 O ASN A 11 -8.126 -10.975 0.552 1.00 11.44 O ATOM 129 CB ASN A 11 -8.963 -11.864 3.223 1.00 72.05 C ATOM 130 CG ASN A 11 -7.567 -12.046 3.838 1.00 43.14 C ATOM 131 OD1 ASN A 11 -7.070 -13.158 3.917 1.00 24.43 O ATOM 132 ND2 ASN A 11 -6.930 -10.983 4.266 1.00 73.02 N ATOM 0 H ASN A 11 -10.940 -11.298 1.707 1.00 71.22 H new ATOM 0 HA ASN A 11 -9.093 -9.752 3.380 1.00 71.44 H new ATOM 0 HB2 ASN A 11 -9.709 -12.038 3.998 1.00 72.05 H new ATOM 0 HB3 ASN A 11 -9.110 -12.631 2.462 1.00 72.05 H new ATOM 0 HD21 ASN A 11 -6.000 -11.076 4.675 1.00 73.02 H new ATOM 0 HD22 ASN A 11 -7.364 -10.063 4.190 1.00 73.02 H new ATOM 139 N LEU A 12 -7.632 -9.085 1.583 1.00 40.54 N ATOM 140 CA LEU A 12 -6.782 -8.628 0.543 1.00 13.13 C ATOM 141 C LEU A 12 -5.358 -8.462 1.016 1.00 54.45 C ATOM 142 O LEU A 12 -5.098 -7.890 2.084 1.00 64.41 O ATOM 143 CB LEU A 12 -7.340 -7.307 0.016 1.00 13.51 C ATOM 144 CG LEU A 12 -6.486 -6.535 -0.975 1.00 12.03 C ATOM 145 CD1 LEU A 12 -6.182 -7.336 -2.213 1.00 21.51 C ATOM 146 CD2 LEU A 12 -7.147 -5.228 -1.316 1.00 64.44 C ATOM 0 H LEU A 12 -7.689 -8.462 2.388 1.00 40.54 H new ATOM 0 HA LEU A 12 -6.758 -9.370 -0.255 1.00 13.13 H new ATOM 0 HB2 LEU A 12 -8.302 -7.511 -0.455 1.00 13.51 H new ATOM 0 HB3 LEU A 12 -7.535 -6.659 0.870 1.00 13.51 H new ATOM 0 HG LEU A 12 -5.527 -6.330 -0.499 1.00 12.03 H new ATOM 0 HD11 LEU A 12 -5.569 -6.741 -2.890 1.00 21.51 H new ATOM 0 HD12 LEU A 12 -5.642 -8.242 -1.937 1.00 21.51 H new ATOM 0 HD13 LEU A 12 -7.114 -7.606 -2.710 1.00 21.51 H new ATOM 0 HD21 LEU A 12 -6.527 -4.682 -2.027 1.00 64.44 H new ATOM 0 HD22 LEU A 12 -8.125 -5.419 -1.759 1.00 64.44 H new ATOM 0 HD23 LEU A 12 -7.269 -4.635 -0.410 1.00 64.44 H new ATOM 158 N ARG A 13 -4.445 -8.978 0.233 1.00 33.23 N ATOM 159 CA ARG A 13 -3.065 -8.791 0.482 1.00 3.32 C ATOM 160 C ARG A 13 -2.506 -7.865 -0.570 1.00 31.33 C ATOM 161 O ARG A 13 -2.557 -8.150 -1.766 1.00 1.11 O ATOM 162 CB ARG A 13 -2.338 -10.131 0.490 1.00 53.53 C ATOM 163 CG ARG A 13 -0.882 -10.037 0.913 1.00 11.01 C ATOM 164 CD ARG A 13 -0.335 -11.400 1.272 1.00 3.33 C ATOM 165 NE ARG A 13 -0.298 -12.333 0.146 1.00 62.12 N ATOM 166 CZ ARG A 13 -0.988 -13.481 0.072 1.00 21.42 C ATOM 167 NH1 ARG A 13 -1.921 -13.778 0.988 1.00 1.25 N ATOM 168 NH2 ARG A 13 -0.763 -14.319 -0.933 1.00 24.02 N ATOM 0 H ARG A 13 -4.653 -9.539 -0.593 1.00 33.23 H new ATOM 0 HA ARG A 13 -2.920 -8.341 1.464 1.00 3.32 H new ATOM 0 HB2 ARG A 13 -2.859 -10.812 1.163 1.00 53.53 H new ATOM 0 HB3 ARG A 13 -2.389 -10.567 -0.508 1.00 53.53 H new ATOM 0 HG2 ARG A 13 -0.292 -9.605 0.105 1.00 11.01 H new ATOM 0 HG3 ARG A 13 -0.790 -9.367 1.768 1.00 11.01 H new ATOM 0 HD2 ARG A 13 0.673 -11.284 1.670 1.00 3.33 H new ATOM 0 HD3 ARG A 13 -0.944 -11.828 2.068 1.00 3.33 H new ATOM 0 HE ARG A 13 0.299 -12.092 -0.645 1.00 62.12 H new ATOM 0 HH11 ARG A 13 -2.112 -13.128 1.751 1.00 1.25 H new ATOM 0 HH12 ARG A 13 -2.440 -14.654 0.922 1.00 1.25 H new ATOM 0 HH21 ARG A 13 -0.069 -14.088 -1.644 1.00 24.02 H new ATOM 0 HH22 ARG A 13 -1.285 -15.193 -0.994 1.00 24.02 H new ATOM 182 N LEU A 14 -1.980 -6.789 -0.114 1.00 4.50 N ATOM 183 CA LEU A 14 -1.426 -5.744 -0.952 1.00 64.42 C ATOM 184 C LEU A 14 0.069 -5.922 -1.078 1.00 11.43 C ATOM 185 O LEU A 14 0.787 -5.953 -0.065 1.00 41.55 O ATOM 186 CB LEU A 14 -1.744 -4.316 -0.358 1.00 24.21 C ATOM 187 CG LEU A 14 -3.215 -3.879 -0.277 1.00 32.11 C ATOM 188 CD1 LEU A 14 -3.860 -3.817 -1.645 1.00 33.34 C ATOM 189 CD2 LEU A 14 -4.037 -4.737 0.663 1.00 61.51 C ATOM 0 H LEU A 14 -1.912 -6.587 0.883 1.00 4.50 H new ATOM 0 HA LEU A 14 -1.885 -5.818 -1.938 1.00 64.42 H new ATOM 0 HB2 LEU A 14 -1.327 -4.273 0.648 1.00 24.21 H new ATOM 0 HB3 LEU A 14 -1.209 -3.579 -0.957 1.00 24.21 H new ATOM 0 HG LEU A 14 -3.201 -2.872 0.141 1.00 32.11 H new ATOM 0 HD11 LEU A 14 -4.899 -3.504 -1.543 1.00 33.34 H new ATOM 0 HD12 LEU A 14 -3.324 -3.100 -2.268 1.00 33.34 H new ATOM 0 HD13 LEU A 14 -3.821 -4.802 -2.110 1.00 33.34 H new ATOM 0 HD21 LEU A 14 -5.066 -4.378 0.677 1.00 61.51 H new ATOM 0 HD22 LEU A 14 -4.018 -5.772 0.321 1.00 61.51 H new ATOM 0 HD23 LEU A 14 -3.619 -4.679 1.668 1.00 61.51 H new ATOM 201 N ILE A 15 0.547 -6.082 -2.289 1.00 42.21 N ATOM 202 CA ILE A 15 1.953 -6.152 -2.507 1.00 44.22 C ATOM 203 C ILE A 15 2.353 -4.888 -3.187 1.00 24.15 C ATOM 204 O ILE A 15 1.908 -4.605 -4.295 1.00 11.10 O ATOM 205 CB ILE A 15 2.405 -7.333 -3.380 1.00 3.32 C ATOM 206 CG1 ILE A 15 1.777 -8.642 -2.891 1.00 75.42 C ATOM 207 CG2 ILE A 15 3.929 -7.422 -3.298 1.00 74.22 C ATOM 208 CD1 ILE A 15 2.237 -9.861 -3.655 1.00 4.13 C ATOM 0 H ILE A 15 -0.024 -6.165 -3.130 1.00 42.21 H new ATOM 0 HA ILE A 15 2.426 -6.296 -1.536 1.00 44.22 H new ATOM 0 HB ILE A 15 2.085 -7.175 -4.410 1.00 3.32 H new ATOM 0 HG12 ILE A 15 2.014 -8.776 -1.835 1.00 75.42 H new ATOM 0 HG13 ILE A 15 0.692 -8.565 -2.967 1.00 75.42 H new ATOM 0 HG21 ILE A 15 4.278 -8.254 -3.910 1.00 74.22 H new ATOM 0 HG22 ILE A 15 4.368 -6.494 -3.663 1.00 74.22 H new ATOM 0 HG23 ILE A 15 4.229 -7.582 -2.262 1.00 74.22 H new ATOM 0 HD11 ILE A 15 1.750 -10.749 -3.252 1.00 4.13 H new ATOM 0 HD12 ILE A 15 1.976 -9.751 -4.708 1.00 4.13 H new ATOM 0 HD13 ILE A 15 3.318 -9.965 -3.558 1.00 4.13 H new ATOM 220 N LEU A 16 3.165 -4.145 -2.552 1.00 34.14 N ATOM 221 CA LEU A 16 3.543 -2.857 -3.058 1.00 62.24 C ATOM 222 C LEU A 16 4.700 -2.958 -4.029 1.00 53.42 C ATOM 223 O LEU A 16 5.466 -3.924 -4.002 1.00 61.23 O ATOM 224 CB LEU A 16 3.872 -1.924 -1.906 1.00 33.14 C ATOM 225 CG LEU A 16 2.730 -1.689 -0.912 1.00 61.45 C ATOM 226 CD1 LEU A 16 3.191 -0.806 0.214 1.00 55.32 C ATOM 227 CD2 LEU A 16 1.526 -1.067 -1.613 1.00 44.00 C ATOM 0 H LEU A 16 3.597 -4.397 -1.663 1.00 34.14 H new ATOM 0 HA LEU A 16 2.699 -2.445 -3.611 1.00 62.24 H new ATOM 0 HB2 LEU A 16 4.727 -2.329 -1.364 1.00 33.14 H new ATOM 0 HB3 LEU A 16 4.180 -0.962 -2.315 1.00 33.14 H new ATOM 0 HG LEU A 16 2.429 -2.653 -0.501 1.00 61.45 H new ATOM 0 HD11 LEU A 16 2.369 -0.648 0.912 1.00 55.32 H new ATOM 0 HD12 LEU A 16 4.022 -1.283 0.734 1.00 55.32 H new ATOM 0 HD13 LEU A 16 3.517 0.154 -0.186 1.00 55.32 H new ATOM 0 HD21 LEU A 16 0.726 -0.908 -0.890 1.00 44.00 H new ATOM 0 HD22 LEU A 16 1.814 -0.112 -2.051 1.00 44.00 H new ATOM 0 HD23 LEU A 16 1.177 -1.736 -2.399 1.00 44.00 H new ATOM 239 N VAL A 17 4.813 -1.959 -4.884 1.00 64.43 N ATOM 240 CA VAL A 17 5.862 -1.866 -5.901 1.00 42.53 C ATOM 241 C VAL A 17 7.278 -1.896 -5.275 1.00 61.13 C ATOM 242 O VAL A 17 8.241 -2.323 -5.904 1.00 44.25 O ATOM 243 CB VAL A 17 5.660 -0.588 -6.773 1.00 14.51 C ATOM 244 CG1 VAL A 17 5.746 0.684 -5.941 1.00 34.53 C ATOM 245 CG2 VAL A 17 6.621 -0.542 -7.952 1.00 22.23 C ATOM 0 H VAL A 17 4.168 -1.169 -4.897 1.00 64.43 H new ATOM 0 HA VAL A 17 5.781 -2.742 -6.544 1.00 42.53 H new ATOM 0 HB VAL A 17 4.651 -0.646 -7.181 1.00 14.51 H new ATOM 0 HG11 VAL A 17 5.600 1.551 -6.585 1.00 34.53 H new ATOM 0 HG12 VAL A 17 4.973 0.669 -5.172 1.00 34.53 H new ATOM 0 HG13 VAL A 17 6.726 0.744 -5.469 1.00 34.53 H new ATOM 0 HG21 VAL A 17 6.444 0.365 -8.531 1.00 22.23 H new ATOM 0 HG22 VAL A 17 7.647 -0.544 -7.585 1.00 22.23 H new ATOM 0 HG23 VAL A 17 6.461 -1.414 -8.586 1.00 22.23 H new ATOM 255 N SER A 18 7.376 -1.475 -4.025 1.00 3.23 N ATOM 256 CA SER A 18 8.635 -1.489 -3.299 1.00 30.41 C ATOM 257 C SER A 18 8.985 -2.910 -2.830 1.00 24.40 C ATOM 258 O SER A 18 10.034 -3.137 -2.225 1.00 41.43 O ATOM 259 CB SER A 18 8.544 -0.540 -2.112 1.00 73.52 C ATOM 260 OG SER A 18 8.224 0.780 -2.536 1.00 63.41 O ATOM 0 H SER A 18 6.588 -1.115 -3.486 1.00 3.23 H new ATOM 0 HA SER A 18 9.431 -1.157 -3.966 1.00 30.41 H new ATOM 0 HB2 SER A 18 7.785 -0.896 -1.415 1.00 73.52 H new ATOM 0 HB3 SER A 18 9.492 -0.533 -1.574 1.00 73.52 H new ATOM 0 HG SER A 18 8.170 1.370 -1.755 1.00 63.41 H new ATOM 266 N GLY A 19 8.103 -3.856 -3.126 1.00 33.34 N ATOM 267 CA GLY A 19 8.302 -5.236 -2.748 1.00 15.04 C ATOM 268 C GLY A 19 7.874 -5.489 -1.337 1.00 15.44 C ATOM 269 O GLY A 19 8.228 -6.508 -0.737 1.00 54.14 O ATOM 0 H GLY A 19 7.235 -3.682 -3.633 1.00 33.34 H new ATOM 0 HA2 GLY A 19 7.739 -5.883 -3.421 1.00 15.04 H new ATOM 0 HA3 GLY A 19 9.354 -5.497 -2.862 1.00 15.04 H new ATOM 273 N LYS A 20 7.118 -4.565 -0.801 1.00 20.24 N ATOM 274 CA LYS A 20 6.609 -4.681 0.537 1.00 42.30 C ATOM 275 C LYS A 20 5.255 -5.329 0.435 1.00 73.40 C ATOM 276 O LYS A 20 4.543 -5.096 -0.517 1.00 24.20 O ATOM 277 CB LYS A 20 6.465 -3.295 1.192 1.00 41.24 C ATOM 278 CG LYS A 20 7.728 -2.429 1.181 1.00 20.31 C ATOM 279 CD LYS A 20 8.925 -3.149 1.783 1.00 75.33 C ATOM 280 CE LYS A 20 10.147 -2.241 1.869 1.00 23.23 C ATOM 281 NZ LYS A 20 9.931 -1.072 2.756 1.00 21.04 N ATOM 0 H LYS A 20 6.839 -3.710 -1.283 1.00 20.24 H new ATOM 0 HA LYS A 20 7.292 -5.269 1.150 1.00 42.30 H new ATOM 0 HB2 LYS A 20 5.668 -2.752 0.683 1.00 41.24 H new ATOM 0 HB3 LYS A 20 6.148 -3.432 2.226 1.00 41.24 H new ATOM 0 HG2 LYS A 20 7.959 -2.139 0.156 1.00 20.31 H new ATOM 0 HG3 LYS A 20 7.541 -1.511 1.737 1.00 20.31 H new ATOM 0 HD2 LYS A 20 8.669 -3.509 2.779 1.00 75.33 H new ATOM 0 HD3 LYS A 20 9.164 -4.024 1.179 1.00 75.33 H new ATOM 0 HE2 LYS A 20 10.997 -2.817 2.234 1.00 23.23 H new ATOM 0 HE3 LYS A 20 10.405 -1.891 0.870 1.00 23.23 H new ATOM 0 HZ1 LYS A 20 10.847 -0.634 2.982 1.00 21.04 H new ATOM 0 HZ2 LYS A 20 9.324 -0.378 2.274 1.00 21.04 H new ATOM 0 HZ3 LYS A 20 9.470 -1.383 3.635 1.00 21.04 H new ATOM 295 N THR A 21 4.913 -6.153 1.349 1.00 22.21 N ATOM 296 CA THR A 21 3.636 -6.800 1.293 1.00 71.32 C ATOM 297 C THR A 21 2.945 -6.684 2.633 1.00 64.03 C ATOM 298 O THR A 21 3.594 -6.749 3.687 1.00 53.32 O ATOM 299 CB THR A 21 3.815 -8.270 0.901 1.00 40.22 C ATOM 300 OG1 THR A 21 4.501 -8.349 -0.346 1.00 2.24 O ATOM 301 CG2 THR A 21 2.499 -9.012 0.815 1.00 35.34 C ATOM 0 H THR A 21 5.491 -6.404 2.151 1.00 22.21 H new ATOM 0 HA THR A 21 3.016 -6.315 0.540 1.00 71.32 H new ATOM 0 HB THR A 21 4.401 -8.750 1.685 1.00 40.22 H new ATOM 0 HG1 THR A 21 4.617 -9.289 -0.596 1.00 2.24 H new ATOM 0 HG21 THR A 21 2.684 -10.049 0.534 1.00 35.34 H new ATOM 0 HG22 THR A 21 2.000 -8.982 1.784 1.00 35.34 H new ATOM 0 HG23 THR A 21 1.864 -8.540 0.065 1.00 35.34 H new ATOM 309 N LYS A 22 1.659 -6.477 2.603 1.00 70.43 N ATOM 310 CA LYS A 22 0.888 -6.351 3.825 1.00 54.12 C ATOM 311 C LYS A 22 -0.540 -6.844 3.556 1.00 33.54 C ATOM 312 O LYS A 22 -1.089 -6.584 2.493 1.00 0.21 O ATOM 313 CB LYS A 22 0.876 -4.881 4.270 1.00 63.14 C ATOM 314 CG LYS A 22 0.401 -4.642 5.693 1.00 44.41 C ATOM 315 CD LYS A 22 1.350 -5.259 6.723 1.00 34.12 C ATOM 316 CE LYS A 22 0.876 -4.978 8.142 1.00 72.41 C ATOM 317 NZ LYS A 22 1.784 -5.535 9.164 1.00 42.35 N ATOM 0 H LYS A 22 1.113 -6.390 1.746 1.00 70.43 H new ATOM 0 HA LYS A 22 1.332 -6.950 4.620 1.00 54.12 H new ATOM 0 HB2 LYS A 22 1.884 -4.478 4.167 1.00 63.14 H new ATOM 0 HB3 LYS A 22 0.237 -4.317 3.591 1.00 63.14 H new ATOM 0 HG2 LYS A 22 0.318 -3.570 5.873 1.00 44.41 H new ATOM 0 HG3 LYS A 22 -0.596 -5.065 5.819 1.00 44.41 H new ATOM 0 HD2 LYS A 22 1.414 -6.335 6.564 1.00 34.12 H new ATOM 0 HD3 LYS A 22 2.353 -4.856 6.585 1.00 34.12 H new ATOM 0 HE2 LYS A 22 0.790 -3.901 8.286 1.00 72.41 H new ATOM 0 HE3 LYS A 22 -0.120 -5.398 8.278 1.00 72.41 H new ATOM 0 HZ1 LYS A 22 1.416 -5.316 10.112 1.00 42.35 H new ATOM 0 HZ2 LYS A 22 1.847 -6.566 9.047 1.00 42.35 H new ATOM 0 HZ3 LYS A 22 2.729 -5.115 9.054 1.00 42.35 H new ATOM 331 N GLU A 23 -1.124 -7.557 4.492 1.00 72.45 N ATOM 332 CA GLU A 23 -2.450 -8.110 4.286 1.00 74.41 C ATOM 333 C GLU A 23 -3.405 -7.644 5.392 1.00 72.21 C ATOM 334 O GLU A 23 -3.060 -7.686 6.584 1.00 60.51 O ATOM 335 CB GLU A 23 -2.371 -9.631 4.293 1.00 72.45 C ATOM 336 CG GLU A 23 -3.616 -10.327 3.800 1.00 60.21 C ATOM 337 CD GLU A 23 -3.544 -11.815 4.007 1.00 11.20 C ATOM 338 OE1 GLU A 23 -2.912 -12.533 3.183 1.00 20.40 O ATOM 339 OE2 GLU A 23 -4.088 -12.295 5.017 1.00 24.13 O ATOM 0 H GLU A 23 -0.708 -7.769 5.399 1.00 72.45 H new ATOM 0 HA GLU A 23 -2.830 -7.762 3.325 1.00 74.41 H new ATOM 0 HB2 GLU A 23 -1.528 -9.941 3.675 1.00 72.45 H new ATOM 0 HB3 GLU A 23 -2.161 -9.966 5.309 1.00 72.45 H new ATOM 0 HG2 GLU A 23 -4.486 -9.929 4.323 1.00 60.21 H new ATOM 0 HG3 GLU A 23 -3.756 -10.114 2.740 1.00 60.21 H new ATOM 346 N PHE A 24 -4.580 -7.199 4.998 1.00 41.10 N ATOM 347 CA PHE A 24 -5.627 -6.747 5.926 1.00 52.12 C ATOM 348 C PHE A 24 -6.988 -7.110 5.376 1.00 1.14 C ATOM 349 O PHE A 24 -7.127 -7.424 4.185 1.00 32.30 O ATOM 350 CB PHE A 24 -5.636 -5.230 6.146 1.00 61.52 C ATOM 351 CG PHE A 24 -4.426 -4.606 6.756 1.00 55.14 C ATOM 352 CD1 PHE A 24 -4.161 -4.729 8.106 1.00 42.34 C ATOM 353 CD2 PHE A 24 -3.580 -3.853 5.982 1.00 12.24 C ATOM 354 CE1 PHE A 24 -3.063 -4.110 8.662 1.00 40.50 C ATOM 355 CE2 PHE A 24 -2.481 -3.236 6.529 1.00 24.11 C ATOM 356 CZ PHE A 24 -2.222 -3.364 7.872 1.00 5.13 C ATOM 0 H PHE A 24 -4.850 -7.135 4.016 1.00 41.10 H new ATOM 0 HA PHE A 24 -5.411 -7.239 6.874 1.00 52.12 H new ATOM 0 HB2 PHE A 24 -5.808 -4.753 5.181 1.00 61.52 H new ATOM 0 HB3 PHE A 24 -6.491 -4.989 6.777 1.00 61.52 H new ATOM 0 HD1 PHE A 24 -4.819 -5.315 8.730 1.00 42.34 H new ATOM 0 HD2 PHE A 24 -3.781 -3.743 4.927 1.00 12.24 H new ATOM 0 HE1 PHE A 24 -2.863 -4.211 9.719 1.00 40.50 H new ATOM 0 HE2 PHE A 24 -1.822 -2.651 5.904 1.00 24.11 H new ATOM 0 HZ PHE A 24 -1.360 -2.880 8.306 1.00 5.13 H new ATOM 366 N LEU A 25 -7.980 -7.125 6.228 1.00 42.03 N ATOM 367 CA LEU A 25 -9.335 -7.251 5.758 1.00 60.35 C ATOM 368 C LEU A 25 -9.785 -5.880 5.271 1.00 60.01 C ATOM 369 O LEU A 25 -9.701 -4.894 6.013 1.00 43.44 O ATOM 370 CB LEU A 25 -10.288 -7.706 6.873 1.00 1.54 C ATOM 371 CG LEU A 25 -10.022 -9.058 7.527 1.00 73.22 C ATOM 372 CD1 LEU A 25 -11.090 -9.352 8.569 1.00 30.31 C ATOM 373 CD2 LEU A 25 -9.977 -10.160 6.489 1.00 53.14 C ATOM 0 H LEU A 25 -7.878 -7.052 7.240 1.00 42.03 H new ATOM 0 HA LEU A 25 -9.362 -7.999 4.966 1.00 60.35 H new ATOM 0 HB2 LEU A 25 -10.275 -6.947 7.655 1.00 1.54 H new ATOM 0 HB3 LEU A 25 -11.298 -7.725 6.464 1.00 1.54 H new ATOM 0 HG LEU A 25 -9.050 -9.018 8.019 1.00 73.22 H new ATOM 0 HD11 LEU A 25 -10.892 -10.319 9.030 1.00 30.31 H new ATOM 0 HD12 LEU A 25 -11.076 -8.575 9.334 1.00 30.31 H new ATOM 0 HD13 LEU A 25 -12.069 -9.372 8.091 1.00 30.31 H new ATOM 0 HD21 LEU A 25 -9.786 -11.114 6.980 1.00 53.14 H new ATOM 0 HD22 LEU A 25 -10.932 -10.206 5.965 1.00 53.14 H new ATOM 0 HD23 LEU A 25 -9.181 -9.954 5.774 1.00 53.14 H new ATOM 385 N PHE A 26 -10.245 -5.812 4.065 1.00 62.24 N ATOM 386 CA PHE A 26 -10.751 -4.581 3.501 1.00 12.42 C ATOM 387 C PHE A 26 -12.145 -4.813 3.002 1.00 54.52 C ATOM 388 O PHE A 26 -12.594 -5.969 2.919 1.00 34.44 O ATOM 389 CB PHE A 26 -9.845 -4.038 2.373 1.00 41.42 C ATOM 390 CG PHE A 26 -8.508 -3.499 2.836 1.00 13.33 C ATOM 391 CD1 PHE A 26 -8.405 -2.193 3.285 1.00 34.30 C ATOM 392 CD2 PHE A 26 -7.363 -4.281 2.820 1.00 71.14 C ATOM 393 CE1 PHE A 26 -7.200 -1.680 3.709 1.00 54.20 C ATOM 394 CE2 PHE A 26 -6.158 -3.769 3.239 1.00 34.23 C ATOM 395 CZ PHE A 26 -6.075 -2.468 3.686 1.00 14.45 C ATOM 0 H PHE A 26 -10.285 -6.609 3.430 1.00 62.24 H new ATOM 0 HA PHE A 26 -10.758 -3.821 4.282 1.00 12.42 H new ATOM 0 HB2 PHE A 26 -9.669 -4.836 1.652 1.00 41.42 H new ATOM 0 HB3 PHE A 26 -10.378 -3.246 1.848 1.00 41.42 H new ATOM 0 HD1 PHE A 26 -9.285 -1.567 3.303 1.00 34.30 H new ATOM 0 HD2 PHE A 26 -7.418 -5.303 2.475 1.00 71.14 H new ATOM 0 HE1 PHE A 26 -7.139 -0.660 4.059 1.00 54.20 H new ATOM 0 HE2 PHE A 26 -5.273 -4.388 3.218 1.00 34.23 H new ATOM 0 HZ PHE A 26 -5.128 -2.069 4.017 1.00 14.45 H new ATOM 405 N SER A 27 -12.855 -3.775 2.692 1.00 52.22 N ATOM 406 CA SER A 27 -14.172 -3.966 2.214 1.00 12.22 C ATOM 407 C SER A 27 -14.130 -3.976 0.713 1.00 12.23 C ATOM 408 O SER A 27 -13.294 -3.304 0.110 1.00 0.51 O ATOM 409 CB SER A 27 -15.143 -2.889 2.737 1.00 22.33 C ATOM 410 OG SER A 27 -14.822 -1.591 2.273 1.00 62.41 O ATOM 0 H SER A 27 -12.546 -2.806 2.762 1.00 52.22 H new ATOM 0 HA SER A 27 -14.551 -4.918 2.585 1.00 12.22 H new ATOM 0 HB2 SER A 27 -16.158 -3.140 2.428 1.00 22.33 H new ATOM 0 HB3 SER A 27 -15.131 -2.894 3.827 1.00 22.33 H new ATOM 0 HG SER A 27 -13.866 -1.422 2.410 1.00 62.41 H new ATOM 416 N PRO A 28 -15.003 -4.741 0.072 1.00 51.22 N ATOM 417 CA PRO A 28 -15.083 -4.796 -1.388 1.00 54.42 C ATOM 418 C PRO A 28 -15.445 -3.429 -2.007 1.00 4.22 C ATOM 419 O PRO A 28 -15.336 -3.236 -3.224 1.00 14.10 O ATOM 420 CB PRO A 28 -16.177 -5.843 -1.638 1.00 32.22 C ATOM 421 CG PRO A 28 -16.974 -5.843 -0.383 1.00 64.34 C ATOM 422 CD PRO A 28 -15.974 -5.652 0.703 1.00 43.11 C ATOM 0 HA PRO A 28 -14.130 -5.053 -1.851 1.00 54.42 H new ATOM 0 HB2 PRO A 28 -16.791 -5.580 -2.500 1.00 32.22 H new ATOM 0 HB3 PRO A 28 -15.750 -6.826 -1.839 1.00 32.22 H new ATOM 0 HG2 PRO A 28 -17.714 -5.043 -0.384 1.00 64.34 H new ATOM 0 HG3 PRO A 28 -17.518 -6.780 -0.260 1.00 64.34 H new ATOM 0 HD2 PRO A 28 -16.421 -5.216 1.596 1.00 43.11 H new ATOM 0 HD3 PRO A 28 -15.514 -6.593 1.004 1.00 43.11 H new ATOM 430 N ASN A 29 -15.859 -2.496 -1.143 1.00 2.32 N ATOM 431 CA ASN A 29 -16.237 -1.143 -1.541 1.00 23.23 C ATOM 432 C ASN A 29 -15.001 -0.233 -1.642 1.00 53.45 C ATOM 433 O ASN A 29 -15.045 0.821 -2.287 1.00 50.13 O ATOM 434 CB ASN A 29 -17.261 -0.569 -0.537 1.00 13.41 C ATOM 435 CG ASN A 29 -17.736 0.844 -0.872 1.00 33.23 C ATOM 436 OD1 ASN A 29 -18.692 1.025 -1.626 1.00 12.33 O ATOM 437 ND2 ASN A 29 -17.111 1.840 -0.297 1.00 23.12 N ATOM 0 H ASN A 29 -15.941 -2.664 -0.140 1.00 2.32 H new ATOM 0 HA ASN A 29 -16.697 -1.185 -2.528 1.00 23.23 H new ATOM 0 HB2 ASN A 29 -18.125 -1.232 -0.497 1.00 13.41 H new ATOM 0 HB3 ASN A 29 -16.816 -0.565 0.458 1.00 13.41 H new ATOM 0 HD21 ASN A 29 -17.413 2.799 -0.469 1.00 23.12 H new ATOM 0 HD22 ASN A 29 -16.322 1.657 0.323 1.00 23.12 H new ATOM 444 N ASP A 30 -13.898 -0.646 -1.020 1.00 1.34 N ATOM 445 CA ASP A 30 -12.659 0.146 -1.064 1.00 74.25 C ATOM 446 C ASP A 30 -12.008 0.031 -2.426 1.00 34.43 C ATOM 447 O ASP A 30 -12.221 -0.951 -3.152 1.00 52.10 O ATOM 448 CB ASP A 30 -11.623 -0.268 0.018 1.00 31.35 C ATOM 449 CG ASP A 30 -12.058 -0.032 1.449 1.00 2.23 C ATOM 450 OD1 ASP A 30 -12.126 1.152 1.885 1.00 21.02 O ATOM 451 OD2 ASP A 30 -12.333 -1.018 2.175 1.00 21.13 O ATOM 0 H ASP A 30 -13.831 -1.512 -0.485 1.00 1.34 H new ATOM 0 HA ASP A 30 -12.956 1.175 -0.861 1.00 74.25 H new ATOM 0 HB2 ASP A 30 -11.395 -1.327 -0.106 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -10.698 0.280 -0.159 1.00 31.35 H new ATOM 456 N SER A 31 -11.252 1.025 -2.794 1.00 51.10 N ATOM 457 CA SER A 31 -10.524 0.988 -4.029 1.00 41.11 C ATOM 458 C SER A 31 -9.080 0.585 -3.741 1.00 12.40 C ATOM 459 O SER A 31 -8.446 1.140 -2.845 1.00 22.53 O ATOM 460 CB SER A 31 -10.572 2.345 -4.710 1.00 4.42 C ATOM 461 OG SER A 31 -11.919 2.769 -4.924 1.00 51.20 O ATOM 0 H SER A 31 -11.123 1.879 -2.251 1.00 51.10 H new ATOM 0 HA SER A 31 -10.977 0.258 -4.699 1.00 41.11 H new ATOM 0 HB2 SER A 31 -10.050 3.080 -4.098 1.00 4.42 H new ATOM 0 HB3 SER A 31 -10.048 2.294 -5.664 1.00 4.42 H new ATOM 0 HG SER A 31 -12.102 2.802 -5.886 1.00 51.20 H new ATOM 467 N ALA A 32 -8.579 -0.375 -4.504 1.00 70.30 N ATOM 468 CA ALA A 32 -7.220 -0.937 -4.331 1.00 64.23 C ATOM 469 C ALA A 32 -6.116 0.138 -4.270 1.00 35.54 C ATOM 470 O ALA A 32 -5.151 -0.001 -3.521 1.00 70.14 O ATOM 471 CB ALA A 32 -6.939 -1.874 -5.466 1.00 50.53 C ATOM 0 H ALA A 32 -9.099 -0.800 -5.272 1.00 70.30 H new ATOM 0 HA ALA A 32 -7.204 -1.455 -3.372 1.00 64.23 H new ATOM 0 HB1 ALA A 32 -5.940 -2.296 -5.351 1.00 50.53 H new ATOM 0 HB2 ALA A 32 -7.675 -2.678 -5.465 1.00 50.53 H new ATOM 0 HB3 ALA A 32 -6.997 -1.331 -6.409 1.00 50.53 H new ATOM 477 N SER A 33 -6.264 1.199 -5.048 1.00 13.43 N ATOM 478 CA SER A 33 -5.275 2.256 -5.080 1.00 32.00 C ATOM 479 C SER A 33 -5.230 3.076 -3.770 1.00 23.30 C ATOM 480 O SER A 33 -4.153 3.464 -3.320 1.00 63.41 O ATOM 481 CB SER A 33 -5.444 3.105 -6.332 1.00 24.11 C ATOM 482 OG SER A 33 -6.813 3.420 -6.562 1.00 42.34 O ATOM 0 H SER A 33 -7.062 1.348 -5.665 1.00 13.43 H new ATOM 0 HA SER A 33 -4.289 1.795 -5.140 1.00 32.00 H new ATOM 0 HB2 SER A 33 -4.869 4.025 -6.230 1.00 24.11 H new ATOM 0 HB3 SER A 33 -5.042 2.571 -7.193 1.00 24.11 H new ATOM 0 HG SER A 33 -6.913 3.813 -7.454 1.00 42.34 H new ATOM 488 N ASP A 34 -6.396 3.302 -3.154 1.00 4.40 N ATOM 489 CA ASP A 34 -6.462 3.950 -1.825 1.00 22.54 C ATOM 490 C ASP A 34 -5.815 3.025 -0.817 1.00 31.33 C ATOM 491 O ASP A 34 -5.018 3.437 0.031 1.00 44.51 O ATOM 492 CB ASP A 34 -7.936 4.201 -1.383 1.00 4.03 C ATOM 493 CG ASP A 34 -8.684 5.276 -2.160 1.00 32.42 C ATOM 494 OD1 ASP A 34 -9.279 4.961 -3.225 1.00 75.34 O ATOM 495 OD2 ASP A 34 -8.734 6.445 -1.696 1.00 35.41 O ATOM 0 H ASP A 34 -7.304 3.051 -3.545 1.00 4.40 H new ATOM 0 HA ASP A 34 -5.950 4.911 -1.881 1.00 22.54 H new ATOM 0 HB2 ASP A 34 -8.487 3.265 -1.472 1.00 4.03 H new ATOM 0 HB3 ASP A 34 -7.938 4.473 -0.328 1.00 4.03 H new ATOM 500 N ILE A 35 -6.139 1.761 -0.942 1.00 70.33 N ATOM 501 CA ILE A 35 -5.636 0.740 -0.057 1.00 43.13 C ATOM 502 C ILE A 35 -4.104 0.661 -0.084 1.00 23.00 C ATOM 503 O ILE A 35 -3.484 0.504 0.960 1.00 75.34 O ATOM 504 CB ILE A 35 -6.233 -0.621 -0.394 1.00 1.55 C ATOM 505 CG1 ILE A 35 -7.745 -0.586 -0.274 1.00 71.43 C ATOM 506 CG2 ILE A 35 -5.674 -1.660 0.518 1.00 3.42 C ATOM 507 CD1 ILE A 35 -8.388 -1.907 -0.564 1.00 4.45 C ATOM 0 H ILE A 35 -6.764 1.410 -1.667 1.00 70.33 H new ATOM 0 HA ILE A 35 -5.941 1.020 0.951 1.00 43.13 H new ATOM 0 HB ILE A 35 -5.973 -0.869 -1.423 1.00 1.55 H new ATOM 0 HG12 ILE A 35 -8.016 -0.270 0.733 1.00 71.43 H new ATOM 0 HG13 ILE A 35 -8.141 0.163 -0.960 1.00 71.43 H new ATOM 0 HG21 ILE A 35 -6.105 -2.630 0.272 1.00 3.42 H new ATOM 0 HG22 ILE A 35 -4.591 -1.703 0.400 1.00 3.42 H new ATOM 0 HG23 ILE A 35 -5.917 -1.407 1.550 1.00 3.42 H new ATOM 0 HD11 ILE A 35 -9.469 -1.816 -0.461 1.00 4.45 H new ATOM 0 HD12 ILE A 35 -8.145 -2.215 -1.581 1.00 4.45 H new ATOM 0 HD13 ILE A 35 -8.019 -2.654 0.139 1.00 4.45 H new ATOM 519 N ALA A 36 -3.512 0.769 -1.273 1.00 2.14 N ATOM 520 CA ALA A 36 -2.061 0.795 -1.441 1.00 11.52 C ATOM 521 C ALA A 36 -1.406 1.814 -0.503 1.00 52.01 C ATOM 522 O ALA A 36 -0.386 1.528 0.107 1.00 70.32 O ATOM 523 CB ALA A 36 -1.705 1.114 -2.886 1.00 45.32 C ATOM 0 H ALA A 36 -4.028 0.841 -2.150 1.00 2.14 H new ATOM 0 HA ALA A 36 -1.678 -0.193 -1.185 1.00 11.52 H new ATOM 0 HB1 ALA A 36 -0.621 1.131 -2.999 1.00 45.32 H new ATOM 0 HB2 ALA A 36 -2.126 0.352 -3.541 1.00 45.32 H new ATOM 0 HB3 ALA A 36 -2.113 2.089 -3.154 1.00 45.32 H new ATOM 529 N LYS A 37 -2.002 2.986 -0.372 1.00 21.10 N ATOM 530 CA LYS A 37 -1.484 3.987 0.521 1.00 55.51 C ATOM 531 C LYS A 37 -1.749 3.625 1.967 1.00 61.21 C ATOM 532 O LYS A 37 -0.892 3.811 2.827 1.00 65.13 O ATOM 533 CB LYS A 37 -2.001 5.367 0.135 1.00 53.15 C ATOM 534 CG LYS A 37 -1.295 5.955 -1.080 1.00 1.14 C ATOM 535 CD LYS A 37 0.172 6.351 -0.780 1.00 13.11 C ATOM 536 CE LYS A 37 0.271 7.505 0.235 1.00 34.22 C ATOM 537 NZ LYS A 37 1.672 7.916 0.540 1.00 25.35 N ATOM 0 H LYS A 37 -2.845 3.261 -0.876 1.00 21.10 H new ATOM 0 HA LYS A 37 -0.399 4.023 0.421 1.00 55.51 H new ATOM 0 HB2 LYS A 37 -3.070 5.303 -0.070 1.00 53.15 H new ATOM 0 HB3 LYS A 37 -1.878 6.043 0.981 1.00 53.15 H new ATOM 0 HG2 LYS A 37 -1.313 5.229 -1.893 1.00 1.14 H new ATOM 0 HG3 LYS A 37 -1.842 6.833 -1.424 1.00 1.14 H new ATOM 0 HD2 LYS A 37 0.708 5.484 -0.394 1.00 13.11 H new ATOM 0 HD3 LYS A 37 0.664 6.643 -1.708 1.00 13.11 H new ATOM 0 HE2 LYS A 37 -0.275 8.366 -0.152 1.00 34.22 H new ATOM 0 HE3 LYS A 37 -0.220 7.206 1.161 1.00 34.22 H new ATOM 0 HZ1 LYS A 37 1.663 8.695 1.229 1.00 25.35 H new ATOM 0 HZ2 LYS A 37 2.192 7.108 0.938 1.00 25.35 H new ATOM 0 HZ3 LYS A 37 2.139 8.232 -0.334 1.00 25.35 H new ATOM 551 N HIS A 38 -2.923 3.067 2.210 1.00 62.42 N ATOM 552 CA HIS A 38 -3.342 2.623 3.541 1.00 21.14 C ATOM 553 C HIS A 38 -2.367 1.550 4.088 1.00 11.43 C ATOM 554 O HIS A 38 -1.958 1.608 5.244 1.00 73.21 O ATOM 555 CB HIS A 38 -4.791 2.067 3.461 1.00 31.12 C ATOM 556 CG HIS A 38 -5.406 1.608 4.764 1.00 24.50 C ATOM 557 ND1 HIS A 38 -6.456 2.259 5.369 1.00 21.33 N ATOM 558 CD2 HIS A 38 -5.153 0.527 5.535 1.00 63.45 C ATOM 559 CE1 HIS A 38 -6.820 1.600 6.452 1.00 43.24 C ATOM 560 NE2 HIS A 38 -6.044 0.543 6.575 1.00 43.03 N ATOM 0 H HIS A 38 -3.623 2.905 1.486 1.00 62.42 H new ATOM 0 HA HIS A 38 -3.323 3.469 4.229 1.00 21.14 H new ATOM 0 HB2 HIS A 38 -5.431 2.840 3.034 1.00 31.12 H new ATOM 0 HB3 HIS A 38 -4.797 1.228 2.765 1.00 31.12 H new ATOM 0 HD2 HIS A 38 -4.387 -0.215 5.362 1.00 63.45 H new ATOM 0 HE1 HIS A 38 -7.618 1.880 7.123 1.00 43.24 H new ATOM 0 HE2 HIS A 38 -6.098 -0.150 7.322 1.00 43.03 H new ATOM 569 N VAL A 39 -2.010 0.586 3.245 1.00 1.40 N ATOM 570 CA VAL A 39 -1.094 -0.491 3.624 1.00 74.25 C ATOM 571 C VAL A 39 0.364 -0.015 3.687 1.00 31.03 C ATOM 572 O VAL A 39 1.170 -0.526 4.479 1.00 23.23 O ATOM 573 CB VAL A 39 -1.239 -1.718 2.704 1.00 63.31 C ATOM 574 CG1 VAL A 39 -2.646 -2.268 2.824 1.00 65.51 C ATOM 575 CG2 VAL A 39 -0.947 -1.360 1.275 1.00 0.10 C ATOM 0 H VAL A 39 -2.344 0.527 2.283 1.00 1.40 H new ATOM 0 HA VAL A 39 -1.378 -0.799 4.630 1.00 74.25 H new ATOM 0 HB VAL A 39 -0.518 -2.475 3.014 1.00 63.31 H new ATOM 0 HG11 VAL A 39 -2.754 -3.137 2.175 1.00 65.51 H new ATOM 0 HG12 VAL A 39 -2.835 -2.561 3.857 1.00 65.51 H new ATOM 0 HG13 VAL A 39 -3.363 -1.502 2.527 1.00 65.51 H new ATOM 0 HG21 VAL A 39 -1.057 -2.245 0.648 1.00 0.10 H new ATOM 0 HG22 VAL A 39 -1.645 -0.591 0.943 1.00 0.10 H new ATOM 0 HG23 VAL A 39 0.073 -0.984 1.195 1.00 0.10 H new ATOM 585 N TYR A 40 0.694 0.949 2.836 1.00 22.55 N ATOM 586 CA TYR A 40 2.032 1.581 2.804 1.00 20.53 C ATOM 587 C TYR A 40 2.264 2.429 4.064 1.00 11.52 C ATOM 588 O TYR A 40 3.405 2.701 4.439 1.00 61.12 O ATOM 589 CB TYR A 40 2.175 2.443 1.533 1.00 24.13 C ATOM 590 CG TYR A 40 3.547 3.063 1.312 1.00 31.04 C ATOM 591 CD1 TYR A 40 4.655 2.264 1.078 1.00 64.42 C ATOM 592 CD2 TYR A 40 3.723 4.441 1.301 1.00 63.31 C ATOM 593 CE1 TYR A 40 5.894 2.809 0.844 1.00 73.31 C ATOM 594 CE2 TYR A 40 4.972 4.998 1.071 1.00 60.12 C ATOM 595 CZ TYR A 40 6.053 4.171 0.842 1.00 54.33 C ATOM 596 OH TYR A 40 7.300 4.710 0.596 1.00 43.11 O ATOM 0 H TYR A 40 0.048 1.324 2.142 1.00 22.55 H new ATOM 0 HA TYR A 40 2.789 0.797 2.784 1.00 20.53 H new ATOM 0 HB2 TYR A 40 1.931 1.827 0.668 1.00 24.13 H new ATOM 0 HB3 TYR A 40 1.436 3.243 1.573 1.00 24.13 H new ATOM 0 HD1 TYR A 40 4.542 1.190 1.080 1.00 64.42 H new ATOM 0 HD2 TYR A 40 2.875 5.087 1.474 1.00 63.31 H new ATOM 0 HE1 TYR A 40 6.742 2.165 0.662 1.00 73.31 H new ATOM 0 HE2 TYR A 40 5.098 6.071 1.071 1.00 60.12 H new ATOM 0 HH TYR A 40 7.246 5.688 0.628 1.00 43.11 H new ATOM 870 N LEU A 58 -1.824 6.053 -9.672 1.00 72.44 N ATOM 871 CA LEU A 58 -2.104 4.918 -8.832 1.00 13.32 C ATOM 872 C LEU A 58 -2.660 3.839 -9.713 1.00 25.04 C ATOM 873 O LEU A 58 -3.621 4.070 -10.446 1.00 2.23 O ATOM 874 CB LEU A 58 -3.139 5.270 -7.747 1.00 15.11 C ATOM 875 CG LEU A 58 -2.739 6.324 -6.702 1.00 14.10 C ATOM 876 CD1 LEU A 58 -3.901 6.617 -5.770 1.00 33.13 C ATOM 877 CD2 LEU A 58 -1.544 5.847 -5.894 1.00 52.21 C ATOM 0 HA LEU A 58 -1.191 4.598 -8.330 1.00 13.32 H new ATOM 0 HB2 LEU A 58 -4.044 5.617 -8.245 1.00 15.11 H new ATOM 0 HB3 LEU A 58 -3.397 4.353 -7.218 1.00 15.11 H new ATOM 0 HG LEU A 58 -2.468 7.238 -7.230 1.00 14.10 H new ATOM 0 HD11 LEU A 58 -3.600 7.365 -5.037 1.00 33.13 H new ATOM 0 HD12 LEU A 58 -4.745 6.994 -6.348 1.00 33.13 H new ATOM 0 HD13 LEU A 58 -4.194 5.702 -5.255 1.00 33.13 H new ATOM 0 HD21 LEU A 58 -1.275 6.606 -5.159 1.00 52.21 H new ATOM 0 HD22 LEU A 58 -1.798 4.920 -5.381 1.00 52.21 H new ATOM 0 HD23 LEU A 58 -0.700 5.673 -6.561 1.00 52.21 H new ATOM 889 N ARG A 59 -2.071 2.686 -9.683 1.00 63.34 N ATOM 890 CA ARG A 59 -2.527 1.641 -10.536 1.00 12.03 C ATOM 891 C ARG A 59 -2.545 0.347 -9.769 1.00 30.23 C ATOM 892 O ARG A 59 -1.666 0.087 -8.939 1.00 53.40 O ATOM 893 CB ARG A 59 -1.598 1.535 -11.725 1.00 3.44 C ATOM 894 CG ARG A 59 -2.135 0.756 -12.896 1.00 43.12 C ATOM 895 CD ARG A 59 -3.340 1.460 -13.472 1.00 2.01 C ATOM 896 NE ARG A 59 -3.806 0.858 -14.716 1.00 64.00 N ATOM 897 CZ ARG A 59 -4.752 1.384 -15.486 1.00 24.30 C ATOM 898 NH1 ARG A 59 -5.307 2.540 -15.149 1.00 3.11 N ATOM 899 NH2 ARG A 59 -5.108 0.778 -16.609 1.00 35.50 N ATOM 0 H ARG A 59 -1.281 2.448 -9.083 1.00 63.34 H new ATOM 0 HA ARG A 59 -3.536 1.856 -10.889 1.00 12.03 H new ATOM 0 HB2 ARG A 59 -1.351 2.542 -12.062 1.00 3.44 H new ATOM 0 HB3 ARG A 59 -0.668 1.071 -11.398 1.00 3.44 H new ATOM 0 HG2 ARG A 59 -1.364 0.653 -13.659 1.00 43.12 H new ATOM 0 HG3 ARG A 59 -2.408 -0.251 -12.580 1.00 43.12 H new ATOM 0 HD2 ARG A 59 -4.148 1.444 -12.741 1.00 2.01 H new ATOM 0 HD3 ARG A 59 -3.093 2.506 -13.651 1.00 2.01 H new ATOM 0 HE ARG A 59 -3.380 -0.020 -15.013 1.00 64.00 H new ATOM 0 HH11 ARG A 59 -5.007 3.022 -14.301 1.00 3.11 H new ATOM 0 HH12 ARG A 59 -6.034 2.948 -15.737 1.00 3.11 H new ATOM 0 HH21 ARG A 59 -4.656 -0.094 -16.884 1.00 35.50 H new ATOM 0 HH22 ARG A 59 -5.835 1.183 -17.199 1.00 35.50 H new ATOM 913 N LEU A 60 -3.525 -0.451 -10.030 1.00 33.43 N ATOM 914 CA LEU A 60 -3.669 -1.692 -9.348 1.00 41.21 C ATOM 915 C LEU A 60 -3.489 -2.850 -10.302 1.00 41.11 C ATOM 916 O LEU A 60 -4.002 -2.836 -11.435 1.00 74.44 O ATOM 917 CB LEU A 60 -5.014 -1.716 -8.591 1.00 62.10 C ATOM 918 CG LEU A 60 -6.284 -1.507 -9.423 1.00 63.21 C ATOM 919 CD1 LEU A 60 -6.761 -2.791 -10.082 1.00 53.05 C ATOM 920 CD2 LEU A 60 -7.371 -0.855 -8.615 1.00 13.53 C ATOM 0 H LEU A 60 -4.249 -0.261 -10.723 1.00 33.43 H new ATOM 0 HA LEU A 60 -2.884 -1.801 -8.600 1.00 41.21 H new ATOM 0 HB2 LEU A 60 -5.098 -2.675 -8.080 1.00 62.10 H new ATOM 0 HB3 LEU A 60 -4.983 -0.946 -7.821 1.00 62.10 H new ATOM 0 HG LEU A 60 -6.024 -0.823 -10.231 1.00 63.21 H new ATOM 0 HD11 LEU A 60 -7.663 -2.590 -10.660 1.00 53.05 H new ATOM 0 HD12 LEU A 60 -5.983 -3.171 -10.744 1.00 53.05 H new ATOM 0 HD13 LEU A 60 -6.979 -3.534 -9.315 1.00 53.05 H new ATOM 0 HD21 LEU A 60 -8.256 -0.722 -9.237 1.00 13.53 H new ATOM 0 HD22 LEU A 60 -7.618 -1.486 -7.761 1.00 13.53 H new ATOM 0 HD23 LEU A 60 -7.028 0.117 -8.260 1.00 13.53 H new ATOM 932 N ILE A 61 -2.740 -3.808 -9.871 1.00 40.40 N ATOM 933 CA ILE A 61 -2.468 -4.981 -10.630 1.00 73.55 C ATOM 934 C ILE A 61 -3.182 -6.143 -9.997 1.00 55.52 C ATOM 935 O ILE A 61 -2.936 -6.485 -8.829 1.00 74.05 O ATOM 936 CB ILE A 61 -0.958 -5.297 -10.634 1.00 2.12 C ATOM 937 CG1 ILE A 61 -0.156 -4.130 -11.196 1.00 71.13 C ATOM 938 CG2 ILE A 61 -0.666 -6.582 -11.422 1.00 10.34 C ATOM 939 CD1 ILE A 61 1.347 -4.330 -11.128 1.00 61.44 C ATOM 0 H ILE A 61 -2.288 -3.796 -8.957 1.00 40.40 H new ATOM 0 HA ILE A 61 -2.804 -4.816 -11.654 1.00 73.55 H new ATOM 0 HB ILE A 61 -0.650 -5.454 -9.600 1.00 2.12 H new ATOM 0 HG12 ILE A 61 -0.445 -3.969 -12.235 1.00 71.13 H new ATOM 0 HG13 ILE A 61 -0.418 -3.224 -10.649 1.00 71.13 H new ATOM 0 HG21 ILE A 61 0.406 -6.781 -11.409 1.00 10.34 H new ATOM 0 HG22 ILE A 61 -1.196 -7.418 -10.965 1.00 10.34 H new ATOM 0 HG23 ILE A 61 -1.000 -6.461 -12.453 1.00 10.34 H new ATOM 0 HD11 ILE A 61 1.849 -3.458 -11.546 1.00 61.44 H new ATOM 0 HD12 ILE A 61 1.650 -4.460 -10.089 1.00 61.44 H new ATOM 0 HD13 ILE A 61 1.622 -5.216 -11.700 1.00 61.44 H new ATOM 951 N TYR A 62 -4.040 -6.744 -10.734 1.00 2.43 N ATOM 952 CA TYR A 62 -4.713 -7.906 -10.277 1.00 11.42 C ATOM 953 C TYR A 62 -3.980 -9.016 -10.977 1.00 15.13 C ATOM 954 O TYR A 62 -4.175 -9.222 -12.191 1.00 21.11 O ATOM 955 CB TYR A 62 -6.202 -7.823 -10.663 1.00 32.21 C ATOM 956 CG TYR A 62 -7.122 -8.841 -10.011 1.00 4.22 C ATOM 957 CD1 TYR A 62 -7.169 -8.964 -8.640 1.00 4.04 C ATOM 958 CD2 TYR A 62 -7.966 -9.645 -10.769 1.00 64.40 C ATOM 959 CE1 TYR A 62 -8.012 -9.856 -8.024 1.00 21.23 C ATOM 960 CE2 TYR A 62 -8.826 -10.549 -10.161 1.00 31.11 C ATOM 961 CZ TYR A 62 -8.843 -10.647 -8.783 1.00 20.42 C ATOM 962 OH TYR A 62 -9.680 -11.557 -8.167 1.00 32.24 O ATOM 0 H TYR A 62 -4.298 -6.445 -11.674 1.00 2.43 H new ATOM 0 HA TYR A 62 -4.708 -8.046 -9.196 1.00 11.42 H new ATOM 0 HB2 TYR A 62 -6.565 -6.825 -10.416 1.00 32.21 H new ATOM 0 HB3 TYR A 62 -6.282 -7.932 -11.745 1.00 32.21 H new ATOM 0 HD1 TYR A 62 -6.526 -8.343 -8.034 1.00 4.04 H new ATOM 0 HD2 TYR A 62 -7.952 -9.565 -11.846 1.00 64.40 H new ATOM 0 HE1 TYR A 62 -8.023 -9.936 -6.947 1.00 21.23 H new ATOM 0 HE2 TYR A 62 -9.476 -11.170 -10.760 1.00 31.11 H new ATOM 0 HH TYR A 62 -10.612 -11.335 -8.372 1.00 32.24 H new ATOM 972 N GLN A 63 -3.111 -9.683 -10.187 1.00 33.33 N ATOM 973 CA GLN A 63 -2.037 -10.546 -10.587 1.00 20.30 C ATOM 974 C GLN A 63 -2.159 -11.060 -12.011 1.00 41.20 C ATOM 975 O GLN A 63 -2.840 -12.056 -12.308 1.00 15.11 O ATOM 976 CB GLN A 63 -1.819 -11.648 -9.562 1.00 11.15 C ATOM 977 CG GLN A 63 -0.546 -12.369 -9.784 1.00 71.04 C ATOM 978 CD GLN A 63 -0.338 -13.561 -8.859 1.00 11.02 C ATOM 979 OE1 GLN A 63 -0.808 -13.583 -7.717 1.00 13.45 O ATOM 980 NE2 GLN A 63 0.353 -14.549 -9.339 1.00 53.22 N ATOM 0 H GLN A 63 -3.169 -9.608 -9.171 1.00 33.33 H new ATOM 0 HA GLN A 63 -1.133 -9.937 -10.607 1.00 20.30 H new ATOM 0 HB2 GLN A 63 -1.822 -11.217 -8.561 1.00 11.15 H new ATOM 0 HB3 GLN A 63 -2.648 -12.354 -9.607 1.00 11.15 H new ATOM 0 HG2 GLN A 63 -0.512 -12.714 -10.817 1.00 71.04 H new ATOM 0 HG3 GLN A 63 0.282 -11.672 -9.653 1.00 71.04 H new ATOM 0 HE21 GLN A 63 0.726 -14.497 -10.287 1.00 53.22 H new ATOM 0 HE22 GLN A 63 0.523 -15.377 -8.769 1.00 53.22 H new ATOM 989 N GLY A 64 -1.530 -10.318 -12.880 1.00 3.14 N ATOM 990 CA GLY A 64 -1.583 -10.556 -14.279 1.00 11.34 C ATOM 991 C GLY A 64 -1.521 -9.251 -15.034 1.00 60.53 C ATOM 992 O GLY A 64 -0.525 -8.954 -15.690 1.00 61.20 O ATOM 0 H GLY A 64 -0.956 -9.516 -12.620 1.00 3.14 H new ATOM 0 HA2 GLY A 64 -0.753 -11.197 -14.578 1.00 11.34 H new ATOM 0 HA3 GLY A 64 -2.502 -11.086 -14.530 1.00 11.34 H new ATOM 996 N ARG A 65 -2.566 -8.446 -14.914 1.00 23.31 N ATOM 997 CA ARG A 65 -2.635 -7.167 -15.623 1.00 62.31 C ATOM 998 C ARG A 65 -3.019 -6.023 -14.682 1.00 42.44 C ATOM 999 O ARG A 65 -3.373 -6.252 -13.516 1.00 41.23 O ATOM 1000 CB ARG A 65 -3.648 -7.222 -16.771 1.00 54.05 C ATOM 1001 CG ARG A 65 -5.076 -7.520 -16.330 1.00 72.30 C ATOM 1002 CD ARG A 65 -6.065 -7.290 -17.457 1.00 1.23 C ATOM 1003 NE ARG A 65 -6.076 -5.874 -17.877 1.00 71.13 N ATOM 1004 CZ ARG A 65 -7.017 -5.306 -18.638 1.00 4.00 C ATOM 1005 NH1 ARG A 65 -8.063 -6.013 -19.057 1.00 53.31 N ATOM 1006 NH2 ARG A 65 -6.911 -4.027 -18.967 1.00 42.25 N ATOM 0 H ARG A 65 -3.380 -8.651 -14.334 1.00 23.31 H new ATOM 0 HA ARG A 65 -1.639 -6.981 -16.026 1.00 62.31 H new ATOM 0 HB2 ARG A 65 -3.634 -6.268 -17.299 1.00 54.05 H new ATOM 0 HB3 ARG A 65 -3.333 -7.985 -17.483 1.00 54.05 H new ATOM 0 HG2 ARG A 65 -5.145 -8.553 -15.989 1.00 72.30 H new ATOM 0 HG3 ARG A 65 -5.336 -6.887 -15.482 1.00 72.30 H new ATOM 0 HD2 ARG A 65 -5.806 -7.922 -18.306 1.00 1.23 H new ATOM 0 HD3 ARG A 65 -7.064 -7.584 -17.134 1.00 1.23 H new ATOM 0 HE ARG A 65 -5.306 -5.284 -17.562 1.00 71.13 H new ATOM 0 HH11 ARG A 65 -8.151 -6.996 -18.798 1.00 53.31 H new ATOM 0 HH12 ARG A 65 -8.777 -5.573 -19.637 1.00 53.31 H new ATOM 0 HH21 ARG A 65 -6.114 -3.481 -18.640 1.00 42.25 H new ATOM 0 HH22 ARG A 65 -7.626 -3.589 -19.547 1.00 42.25 H new ATOM 1020 N PHE A 66 -2.981 -4.801 -15.201 1.00 72.23 N ATOM 1021 CA PHE A 66 -3.382 -3.629 -14.445 1.00 43.31 C ATOM 1022 C PHE A 66 -4.845 -3.382 -14.799 1.00 5.31 C ATOM 1023 O PHE A 66 -5.153 -3.082 -15.953 1.00 73.24 O ATOM 1024 CB PHE A 66 -2.566 -2.379 -14.865 1.00 65.14 C ATOM 1025 CG PHE A 66 -1.060 -2.536 -14.924 1.00 75.02 C ATOM 1026 CD1 PHE A 66 -0.452 -3.128 -16.025 1.00 61.44 C ATOM 1027 CD2 PHE A 66 -0.257 -2.066 -13.904 1.00 53.33 C ATOM 1028 CE1 PHE A 66 0.922 -3.250 -16.098 1.00 34.02 C ATOM 1029 CE2 PHE A 66 1.120 -2.189 -13.971 1.00 65.13 C ATOM 1030 CZ PHE A 66 1.707 -2.782 -15.069 1.00 12.20 C ATOM 0 H PHE A 66 -2.673 -4.599 -16.152 1.00 72.23 H new ATOM 0 HA PHE A 66 -3.219 -3.796 -13.380 1.00 43.31 H new ATOM 0 HB2 PHE A 66 -2.913 -2.061 -15.848 1.00 65.14 H new ATOM 0 HB3 PHE A 66 -2.797 -1.573 -14.169 1.00 65.14 H new ATOM 0 HD1 PHE A 66 -1.063 -3.498 -16.835 1.00 61.44 H new ATOM 0 HD2 PHE A 66 -0.709 -1.596 -13.043 1.00 53.33 H new ATOM 0 HE1 PHE A 66 1.379 -3.712 -16.961 1.00 34.02 H new ATOM 0 HE2 PHE A 66 1.735 -1.820 -13.163 1.00 65.13 H new ATOM 0 HZ PHE A 66 2.781 -2.879 -15.121 1.00 12.20 H new ATOM 1040 N LEU A 67 -5.742 -3.525 -13.852 1.00 74.14 N ATOM 1041 CA LEU A 67 -7.161 -3.388 -14.185 1.00 3.05 C ATOM 1042 C LEU A 67 -7.618 -1.948 -14.306 1.00 20.33 C ATOM 1043 O LEU A 67 -8.234 -1.590 -15.294 1.00 3.02 O ATOM 1044 CB LEU A 67 -8.063 -4.191 -13.243 1.00 44.14 C ATOM 1045 CG LEU A 67 -7.952 -5.718 -13.343 1.00 61.31 C ATOM 1046 CD1 LEU A 67 -8.839 -6.376 -12.314 1.00 54.01 C ATOM 1047 CD2 LEU A 67 -8.332 -6.197 -14.733 1.00 3.33 C ATOM 0 H LEU A 67 -5.537 -3.729 -12.874 1.00 74.14 H new ATOM 0 HA LEU A 67 -7.264 -3.821 -15.180 1.00 3.05 H new ATOM 0 HB2 LEU A 67 -7.837 -3.897 -12.218 1.00 44.14 H new ATOM 0 HB3 LEU A 67 -9.098 -3.909 -13.435 1.00 44.14 H new ATOM 0 HG LEU A 67 -6.916 -5.996 -13.151 1.00 61.31 H new ATOM 0 HD11 LEU A 67 -8.750 -7.459 -12.396 1.00 54.01 H new ATOM 0 HD12 LEU A 67 -8.533 -6.062 -11.316 1.00 54.01 H new ATOM 0 HD13 LEU A 67 -9.875 -6.083 -12.486 1.00 54.01 H new ATOM 0 HD21 LEU A 67 -8.246 -7.283 -14.780 1.00 3.33 H new ATOM 0 HD22 LEU A 67 -9.359 -5.905 -14.950 1.00 3.33 H new ATOM 0 HD23 LEU A 67 -7.664 -5.748 -15.468 1.00 3.33 H new ATOM 1059 N HIS A 68 -7.281 -1.111 -13.344 1.00 32.04 N ATOM 1060 CA HIS A 68 -7.676 0.294 -13.389 1.00 64.44 C ATOM 1061 C HIS A 68 -6.918 1.079 -12.343 1.00 45.32 C ATOM 1062 O HIS A 68 -6.156 0.506 -11.574 1.00 51.44 O ATOM 1063 CB HIS A 68 -9.195 0.456 -13.182 1.00 21.41 C ATOM 1064 CG HIS A 68 -9.899 1.145 -14.321 1.00 24.53 C ATOM 1065 ND1 HIS A 68 -10.578 2.327 -14.183 1.00 23.44 N ATOM 1066 CD2 HIS A 68 -10.051 0.785 -15.619 1.00 5.32 C ATOM 1067 CE1 HIS A 68 -11.116 2.654 -15.341 1.00 24.30 C ATOM 1068 NE2 HIS A 68 -10.809 1.739 -16.223 1.00 21.20 N ATOM 0 H HIS A 68 -6.737 -1.373 -12.522 1.00 32.04 H new ATOM 0 HA HIS A 68 -7.430 0.683 -14.377 1.00 64.44 H new ATOM 0 HB2 HIS A 68 -9.639 -0.529 -13.037 1.00 21.41 H new ATOM 0 HB3 HIS A 68 -9.368 1.021 -12.266 1.00 21.41 H new ATOM 0 HD2 HIS A 68 -9.644 -0.099 -16.088 1.00 5.32 H new ATOM 0 HE1 HIS A 68 -11.713 3.534 -15.530 1.00 24.30 H new ATOM 0 HE2 HIS A 68 -11.092 1.740 -17.203 1.00 21.20 H new ATOM 1077 N GLY A 69 -7.092 2.373 -12.345 1.00 55.34 N ATOM 1078 CA GLY A 69 -6.415 3.229 -11.395 1.00 15.21 C ATOM 1079 C GLY A 69 -7.128 3.407 -10.051 1.00 53.44 C ATOM 1080 O GLY A 69 -6.607 4.080 -9.177 1.00 11.42 O ATOM 0 H GLY A 69 -7.701 2.866 -12.998 1.00 55.34 H new ATOM 0 HA2 GLY A 69 -5.421 2.823 -11.209 1.00 15.21 H new ATOM 0 HA3 GLY A 69 -6.279 4.211 -11.848 1.00 15.21 H new ATOM 1084 N ASN A 70 -8.312 2.801 -9.863 1.00 23.43 N ATOM 1085 CA ASN A 70 -9.108 3.110 -8.652 1.00 11.01 C ATOM 1086 C ASN A 70 -10.340 2.180 -8.561 1.00 61.01 C ATOM 1087 O ASN A 70 -11.325 2.497 -7.909 1.00 73.24 O ATOM 1088 CB ASN A 70 -9.585 4.594 -8.741 1.00 4.35 C ATOM 1089 CG ASN A 70 -10.082 5.192 -7.420 1.00 3.30 C ATOM 1090 OD1 ASN A 70 -10.997 6.010 -7.406 1.00 35.41 O ATOM 1091 ND2 ASN A 70 -9.430 4.855 -6.325 1.00 41.33 N ATOM 0 H ASN A 70 -8.730 2.123 -10.500 1.00 23.43 H new ATOM 0 HA ASN A 70 -8.493 2.957 -7.765 1.00 11.01 H new ATOM 0 HB2 ASN A 70 -8.761 5.204 -9.112 1.00 4.35 H new ATOM 0 HB3 ASN A 70 -10.386 4.659 -9.477 1.00 4.35 H new ATOM 0 HD21 ASN A 70 -9.681 5.278 -5.431 1.00 41.33 H new ATOM 0 HD22 ASN A 70 -8.674 4.172 -6.371 1.00 41.33 H new ATOM 1098 N VAL A 71 -10.250 1.009 -9.177 1.00 60.35 N ATOM 1099 CA VAL A 71 -11.384 0.081 -9.210 1.00 50.43 C ATOM 1100 C VAL A 71 -11.469 -0.703 -7.879 1.00 42.41 C ATOM 1101 O VAL A 71 -10.434 -0.985 -7.242 1.00 10.13 O ATOM 1102 CB VAL A 71 -11.338 -0.862 -10.480 1.00 43.51 C ATOM 1103 CG1 VAL A 71 -10.134 -1.758 -10.512 1.00 63.12 C ATOM 1104 CG2 VAL A 71 -12.599 -1.657 -10.645 1.00 41.32 C ATOM 0 H VAL A 71 -9.414 0.677 -9.658 1.00 60.35 H new ATOM 0 HA VAL A 71 -12.303 0.658 -9.309 1.00 50.43 H new ATOM 0 HB VAL A 71 -11.252 -0.188 -11.332 1.00 43.51 H new ATOM 0 HG11 VAL A 71 -10.165 -2.377 -11.408 1.00 63.12 H new ATOM 0 HG12 VAL A 71 -9.229 -1.151 -10.522 1.00 63.12 H new ATOM 0 HG13 VAL A 71 -10.133 -2.397 -9.629 1.00 63.12 H new ATOM 0 HG21 VAL A 71 -12.518 -2.288 -11.530 1.00 41.32 H new ATOM 0 HG22 VAL A 71 -12.752 -2.283 -9.766 1.00 41.32 H new ATOM 0 HG23 VAL A 71 -13.444 -0.979 -10.759 1.00 41.32 H new ATOM 1114 N THR A 72 -12.681 -0.997 -7.455 1.00 34.12 N ATOM 1115 CA THR A 72 -12.937 -1.647 -6.184 1.00 1.43 C ATOM 1116 C THR A 72 -12.688 -3.152 -6.251 1.00 33.10 C ATOM 1117 O THR A 72 -12.739 -3.749 -7.331 1.00 44.41 O ATOM 1118 CB THR A 72 -14.392 -1.374 -5.731 1.00 62.52 C ATOM 1119 OG1 THR A 72 -15.321 -1.823 -6.750 1.00 22.41 O ATOM 1120 CG2 THR A 72 -14.598 0.110 -5.489 1.00 2.15 C ATOM 0 H THR A 72 -13.526 -0.790 -7.988 1.00 34.12 H new ATOM 0 HA THR A 72 -12.241 -1.228 -5.457 1.00 1.43 H new ATOM 0 HB THR A 72 -14.573 -1.919 -4.805 1.00 62.52 H new ATOM 0 HG1 THR A 72 -16.239 -1.648 -6.455 1.00 22.41 H new ATOM 0 HG21 THR A 72 -15.625 0.288 -5.171 1.00 2.15 H new ATOM 0 HG22 THR A 72 -13.914 0.450 -4.712 1.00 2.15 H new ATOM 0 HG23 THR A 72 -14.403 0.659 -6.410 1.00 2.15 H new ATOM 1128 N LEU A 73 -12.438 -3.766 -5.087 1.00 12.40 N ATOM 1129 CA LEU A 73 -12.169 -5.195 -5.004 1.00 42.14 C ATOM 1130 C LEU A 73 -13.397 -5.993 -5.411 1.00 73.10 C ATOM 1131 O LEU A 73 -13.287 -7.069 -5.981 1.00 5.33 O ATOM 1132 CB LEU A 73 -11.749 -5.604 -3.594 1.00 35.33 C ATOM 1133 CG LEU A 73 -10.545 -4.884 -2.967 1.00 15.22 C ATOM 1134 CD1 LEU A 73 -9.376 -4.769 -3.912 1.00 63.43 C ATOM 1135 CD2 LEU A 73 -10.914 -3.560 -2.350 1.00 3.32 C ATOM 0 H LEU A 73 -12.418 -3.285 -4.188 1.00 12.40 H new ATOM 0 HA LEU A 73 -11.349 -5.410 -5.689 1.00 42.14 H new ATOM 0 HB2 LEU A 73 -12.605 -5.461 -2.935 1.00 35.33 H new ATOM 0 HB3 LEU A 73 -11.531 -6.672 -3.606 1.00 35.33 H new ATOM 0 HG LEU A 73 -10.213 -5.522 -2.147 1.00 15.22 H new ATOM 0 HD11 LEU A 73 -8.555 -4.252 -3.415 1.00 63.43 H new ATOM 0 HD12 LEU A 73 -9.050 -5.765 -4.210 1.00 63.43 H new ATOM 0 HD13 LEU A 73 -9.677 -4.206 -4.796 1.00 63.43 H new ATOM 0 HD21 LEU A 73 -10.024 -3.097 -1.923 1.00 3.32 H new ATOM 0 HD22 LEU A 73 -11.332 -2.906 -3.115 1.00 3.32 H new ATOM 0 HD23 LEU A 73 -11.653 -3.718 -1.565 1.00 3.32 H new ATOM 1147 N GLY A 74 -14.575 -5.449 -5.118 1.00 65.35 N ATOM 1148 CA GLY A 74 -15.810 -6.087 -5.528 1.00 74.24 C ATOM 1149 C GLY A 74 -15.893 -6.211 -7.038 1.00 54.20 C ATOM 1150 O GLY A 74 -16.385 -7.204 -7.563 1.00 2.54 O ATOM 0 H GLY A 74 -14.694 -4.577 -4.603 1.00 65.35 H new ATOM 0 HA2 GLY A 74 -15.878 -7.076 -5.076 1.00 74.24 H new ATOM 0 HA3 GLY A 74 -16.659 -5.510 -5.161 1.00 74.24 H new ATOM 1154 N ALA A 75 -15.355 -5.216 -7.728 1.00 1.25 N ATOM 1155 CA ALA A 75 -15.348 -5.176 -9.183 1.00 74.34 C ATOM 1156 C ALA A 75 -14.247 -6.085 -9.750 1.00 13.23 C ATOM 1157 O ALA A 75 -14.237 -6.407 -10.945 1.00 72.14 O ATOM 1158 CB ALA A 75 -15.182 -3.742 -9.668 1.00 62.11 C ATOM 0 H ALA A 75 -14.909 -4.409 -7.292 1.00 1.25 H new ATOM 0 HA ALA A 75 -16.304 -5.552 -9.547 1.00 74.34 H new ATOM 0 HB1 ALA A 75 -15.178 -3.725 -10.758 1.00 62.11 H new ATOM 0 HB2 ALA A 75 -16.008 -3.135 -9.298 1.00 62.11 H new ATOM 0 HB3 ALA A 75 -14.240 -3.339 -9.295 1.00 62.11 H new ATOM 1164 N LEU A 76 -13.312 -6.480 -8.890 1.00 4.14 N ATOM 1165 CA LEU A 76 -12.212 -7.360 -9.277 1.00 40.44 C ATOM 1166 C LEU A 76 -12.643 -8.818 -9.163 1.00 51.12 C ATOM 1167 O LEU A 76 -11.898 -9.724 -9.534 1.00 60.54 O ATOM 1168 CB LEU A 76 -11.038 -7.161 -8.342 1.00 43.52 C ATOM 1169 CG LEU A 76 -10.517 -5.755 -8.160 1.00 21.33 C ATOM 1170 CD1 LEU A 76 -9.413 -5.774 -7.176 1.00 44.33 C ATOM 1171 CD2 LEU A 76 -10.011 -5.218 -9.437 1.00 74.04 C ATOM 0 H LEU A 76 -13.295 -6.201 -7.909 1.00 4.14 H new ATOM 0 HA LEU A 76 -11.933 -7.121 -10.303 1.00 40.44 H new ATOM 0 HB2 LEU A 76 -11.321 -7.543 -7.361 1.00 43.52 H new ATOM 0 HB3 LEU A 76 -10.215 -7.780 -8.700 1.00 43.52 H new ATOM 0 HG LEU A 76 -11.331 -5.121 -7.809 1.00 21.33 H new ATOM 0 HD11 LEU A 76 -9.031 -4.763 -7.038 1.00 44.33 H new ATOM 0 HD12 LEU A 76 -9.781 -6.155 -6.224 1.00 44.33 H new ATOM 0 HD13 LEU A 76 -8.612 -6.418 -7.540 1.00 44.33 H new ATOM 0 HD21 LEU A 76 -9.640 -4.204 -9.284 1.00 74.04 H new ATOM 0 HD22 LEU A 76 -9.201 -5.849 -9.802 1.00 74.04 H new ATOM 0 HD23 LEU A 76 -10.817 -5.203 -10.170 1.00 74.04 H new ATOM 1183 N LYS A 77 -13.863 -9.017 -8.677 1.00 61.32 N ATOM 1184 CA LYS A 77 -14.457 -10.336 -8.434 1.00 13.21 C ATOM 1185 C LYS A 77 -13.789 -11.039 -7.260 1.00 30.43 C ATOM 1186 O LYS A 77 -12.986 -11.956 -7.438 1.00 21.14 O ATOM 1187 CB LYS A 77 -14.503 -11.289 -9.682 1.00 72.54 C ATOM 1188 CG LYS A 77 -15.299 -10.805 -10.896 1.00 42.24 C ATOM 1189 CD LYS A 77 -14.642 -9.617 -11.568 1.00 53.32 C ATOM 1190 CE LYS A 77 -15.463 -9.104 -12.730 1.00 2.34 C ATOM 1191 NZ LYS A 77 -14.899 -7.863 -13.283 1.00 22.14 N ATOM 0 H LYS A 77 -14.487 -8.248 -8.433 1.00 61.32 H new ATOM 0 HA LYS A 77 -15.498 -10.120 -8.192 1.00 13.21 H new ATOM 0 HB2 LYS A 77 -13.478 -11.478 -10.002 1.00 72.54 H new ATOM 0 HB3 LYS A 77 -14.919 -12.245 -9.363 1.00 72.54 H new ATOM 0 HG2 LYS A 77 -15.396 -11.619 -11.614 1.00 42.24 H new ATOM 0 HG3 LYS A 77 -16.307 -10.533 -10.584 1.00 42.24 H new ATOM 0 HD2 LYS A 77 -14.504 -8.818 -10.840 1.00 53.32 H new ATOM 0 HD3 LYS A 77 -13.651 -9.901 -11.921 1.00 53.32 H new ATOM 0 HE2 LYS A 77 -15.506 -9.864 -13.510 1.00 2.34 H new ATOM 0 HE3 LYS A 77 -16.487 -8.925 -12.402 1.00 2.34 H new ATOM 0 HZ1 LYS A 77 -15.615 -7.387 -13.868 1.00 22.14 H new ATOM 0 HZ2 LYS A 77 -14.613 -7.235 -12.505 1.00 22.14 H new ATOM 0 HZ3 LYS A 77 -14.069 -8.089 -13.868 1.00 22.14 H new ATOM 1205 N LEU A 78 -14.059 -10.556 -6.072 1.00 72.42 N ATOM 1206 CA LEU A 78 -13.571 -11.193 -4.869 1.00 51.34 C ATOM 1207 C LEU A 78 -14.702 -11.712 -4.048 1.00 14.33 C ATOM 1208 O LEU A 78 -15.583 -10.949 -3.650 1.00 75.30 O ATOM 1209 CB LEU A 78 -12.691 -10.283 -3.982 1.00 12.43 C ATOM 1210 CG LEU A 78 -11.229 -10.071 -4.386 1.00 73.31 C ATOM 1211 CD1 LEU A 78 -11.094 -9.370 -5.701 1.00 12.33 C ATOM 1212 CD2 LEU A 78 -10.487 -9.332 -3.292 1.00 2.34 C ATOM 0 H LEU A 78 -14.618 -9.718 -5.910 1.00 72.42 H new ATOM 0 HA LEU A 78 -12.940 -12.009 -5.220 1.00 51.34 H new ATOM 0 HB2 LEU A 78 -13.168 -9.304 -3.933 1.00 12.43 H new ATOM 0 HB3 LEU A 78 -12.701 -10.693 -2.972 1.00 12.43 H new ATOM 0 HG LEU A 78 -10.779 -11.055 -4.515 1.00 73.31 H new ATOM 0 HD11 LEU A 78 -10.038 -9.245 -5.940 1.00 12.33 H new ATOM 0 HD12 LEU A 78 -11.575 -9.962 -6.480 1.00 12.33 H new ATOM 0 HD13 LEU A 78 -11.571 -8.392 -5.642 1.00 12.33 H new ATOM 0 HD21 LEU A 78 -9.449 -9.187 -3.590 1.00 2.34 H new ATOM 0 HD22 LEU A 78 -10.956 -8.362 -3.126 1.00 2.34 H new ATOM 0 HD23 LEU A 78 -10.522 -9.914 -2.371 1.00 2.34 H new ATOM 1224 N PRO A 79 -14.743 -13.016 -3.832 1.00 73.13 N ATOM 1225 CA PRO A 79 -15.697 -13.613 -2.921 1.00 13.33 C ATOM 1226 C PRO A 79 -15.341 -13.213 -1.494 1.00 25.04 C ATOM 1227 O PRO A 79 -14.148 -13.171 -1.125 1.00 43.31 O ATOM 1228 CB PRO A 79 -15.505 -15.124 -3.113 1.00 61.04 C ATOM 1229 CG PRO A 79 -14.700 -15.262 -4.363 1.00 45.14 C ATOM 1230 CD PRO A 79 -13.888 -14.015 -4.476 1.00 23.22 C ATOM 0 HA PRO A 79 -16.725 -13.300 -3.105 1.00 13.33 H new ATOM 0 HB2 PRO A 79 -14.988 -15.566 -2.261 1.00 61.04 H new ATOM 0 HB3 PRO A 79 -16.464 -15.634 -3.204 1.00 61.04 H new ATOM 0 HG2 PRO A 79 -14.058 -16.142 -4.317 1.00 45.14 H new ATOM 0 HG3 PRO A 79 -15.347 -15.385 -5.231 1.00 45.14 H new ATOM 0 HD2 PRO A 79 -12.926 -14.111 -3.972 1.00 23.22 H new ATOM 0 HD3 PRO A 79 -13.679 -13.760 -5.515 1.00 23.22 H new ATOM 1238 N PHE A 80 -16.338 -12.924 -0.703 1.00 4.32 N ATOM 1239 CA PHE A 80 -16.118 -12.465 0.650 1.00 3.54 C ATOM 1240 C PHE A 80 -15.577 -13.608 1.475 1.00 50.33 C ATOM 1241 O PHE A 80 -15.992 -14.756 1.305 1.00 52.13 O ATOM 1242 CB PHE A 80 -17.420 -11.962 1.295 1.00 74.45 C ATOM 1243 CG PHE A 80 -18.159 -10.874 0.546 1.00 34.04 C ATOM 1244 CD1 PHE A 80 -17.521 -10.061 -0.376 1.00 32.54 C ATOM 1245 CD2 PHE A 80 -19.503 -10.668 0.787 1.00 54.04 C ATOM 1246 CE1 PHE A 80 -18.209 -9.072 -1.043 1.00 52.23 C ATOM 1247 CE2 PHE A 80 -20.197 -9.683 0.123 1.00 63.41 C ATOM 1248 CZ PHE A 80 -19.551 -8.881 -0.793 1.00 73.23 C ATOM 0 H PHE A 80 -17.320 -12.998 -0.971 1.00 4.32 H new ATOM 0 HA PHE A 80 -15.409 -11.638 0.617 1.00 3.54 H new ATOM 0 HB2 PHE A 80 -18.092 -12.811 1.417 1.00 74.45 H new ATOM 0 HB3 PHE A 80 -17.187 -11.593 2.294 1.00 74.45 H new ATOM 0 HD1 PHE A 80 -16.469 -10.205 -0.575 1.00 32.54 H new ATOM 0 HD2 PHE A 80 -20.016 -11.289 1.507 1.00 54.04 H new ATOM 0 HE1 PHE A 80 -17.698 -8.447 -1.761 1.00 52.23 H new ATOM 0 HE2 PHE A 80 -21.249 -9.538 0.320 1.00 63.41 H new ATOM 0 HZ PHE A 80 -20.094 -8.106 -1.313 1.00 73.23 H new ATOM 1258 N GLY A 81 -14.650 -13.315 2.337 1.00 42.51 N ATOM 1259 CA GLY A 81 -14.102 -14.337 3.187 1.00 21.24 C ATOM 1260 C GLY A 81 -12.870 -15.002 2.609 1.00 52.00 C ATOM 1261 O GLY A 81 -12.195 -15.777 3.295 1.00 64.32 O ATOM 0 H GLY A 81 -14.257 -12.384 2.472 1.00 42.51 H new ATOM 0 HA2 GLY A 81 -13.850 -13.900 4.153 1.00 21.24 H new ATOM 0 HA3 GLY A 81 -14.864 -15.095 3.369 1.00 21.24 H new ATOM 1265 N LYS A 82 -12.566 -14.717 1.368 1.00 10.24 N ATOM 1266 CA LYS A 82 -11.432 -15.333 0.736 1.00 51.50 C ATOM 1267 C LYS A 82 -10.244 -14.415 0.678 1.00 25.14 C ATOM 1268 O LYS A 82 -10.392 -13.185 0.669 1.00 34.12 O ATOM 1269 CB LYS A 82 -11.768 -15.838 -0.641 1.00 41.21 C ATOM 1270 CG LYS A 82 -12.833 -16.900 -0.647 1.00 14.42 C ATOM 1271 CD LYS A 82 -12.953 -17.478 -2.012 1.00 11.11 C ATOM 1272 CE LYS A 82 -14.026 -18.542 -2.086 1.00 54.35 C ATOM 1273 NZ LYS A 82 -14.120 -19.116 -3.441 1.00 33.15 N ATOM 0 H LYS A 82 -13.086 -14.066 0.780 1.00 10.24 H new ATOM 0 HA LYS A 82 -11.163 -16.186 1.359 1.00 51.50 H new ATOM 0 HB2 LYS A 82 -12.098 -15.001 -1.256 1.00 41.21 H new ATOM 0 HB3 LYS A 82 -10.865 -16.237 -1.103 1.00 41.21 H new ATOM 0 HG2 LYS A 82 -12.584 -17.683 0.070 1.00 14.42 H new ATOM 0 HG3 LYS A 82 -13.787 -16.474 -0.336 1.00 14.42 H new ATOM 0 HD2 LYS A 82 -13.181 -16.684 -2.723 1.00 11.11 H new ATOM 0 HD3 LYS A 82 -11.996 -17.907 -2.309 1.00 11.11 H new ATOM 0 HE2 LYS A 82 -13.807 -19.333 -1.368 1.00 54.35 H new ATOM 0 HE3 LYS A 82 -14.987 -18.112 -1.803 1.00 54.35 H new ATOM 0 HZ1 LYS A 82 -14.864 -19.842 -3.460 1.00 33.15 H new ATOM 0 HZ2 LYS A 82 -14.353 -18.364 -4.121 1.00 33.15 H new ATOM 0 HZ3 LYS A 82 -13.209 -19.547 -3.699 1.00 33.15 H new ATOM 1287 N THR A 83 -9.078 -15.013 0.643 1.00 53.01 N ATOM 1288 CA THR A 83 -7.835 -14.309 0.601 1.00 62.02 C ATOM 1289 C THR A 83 -7.409 -14.079 -0.838 1.00 42.25 C ATOM 1290 O THR A 83 -7.192 -15.035 -1.598 1.00 42.44 O ATOM 1291 CB THR A 83 -6.753 -15.121 1.317 1.00 2.15 C ATOM 1292 OG1 THR A 83 -7.226 -15.460 2.629 1.00 53.31 O ATOM 1293 CG2 THR A 83 -5.471 -14.306 1.440 1.00 51.13 C ATOM 0 H THR A 83 -8.973 -16.028 0.643 1.00 53.01 H new ATOM 0 HA THR A 83 -7.965 -13.348 1.098 1.00 62.02 H new ATOM 0 HB THR A 83 -6.540 -16.023 0.743 1.00 2.15 H new ATOM 0 HG1 THR A 83 -7.436 -14.640 3.123 1.00 53.31 H new ATOM 0 HG21 THR A 83 -4.712 -14.897 1.951 1.00 51.13 H new ATOM 0 HG22 THR A 83 -5.114 -14.038 0.446 1.00 51.13 H new ATOM 0 HG23 THR A 83 -5.670 -13.399 2.011 1.00 51.13 H new ATOM 1301 N THR A 84 -7.301 -12.846 -1.205 1.00 40.22 N ATOM 1302 CA THR A 84 -6.887 -12.482 -2.535 1.00 75.24 C ATOM 1303 C THR A 84 -5.631 -11.592 -2.463 1.00 44.13 C ATOM 1304 O THR A 84 -5.529 -10.726 -1.594 1.00 60.42 O ATOM 1305 CB THR A 84 -8.036 -11.753 -3.252 1.00 32.22 C ATOM 1306 OG1 THR A 84 -9.222 -12.580 -3.182 1.00 31.22 O ATOM 1307 CG2 THR A 84 -7.702 -11.497 -4.716 1.00 65.23 C ATOM 0 H THR A 84 -7.496 -12.053 -0.594 1.00 40.22 H new ATOM 0 HA THR A 84 -6.640 -13.380 -3.102 1.00 75.24 H new ATOM 0 HB THR A 84 -8.197 -10.792 -2.763 1.00 32.22 H new ATOM 0 HG1 THR A 84 -9.522 -12.799 -4.089 1.00 31.22 H new ATOM 0 HG21 THR A 84 -8.534 -10.981 -5.194 1.00 65.23 H new ATOM 0 HG22 THR A 84 -6.806 -10.880 -4.782 1.00 65.23 H new ATOM 0 HG23 THR A 84 -7.527 -12.447 -5.221 1.00 65.23 H new ATOM 1315 N VAL A 85 -4.689 -11.826 -3.353 1.00 62.54 N ATOM 1316 CA VAL A 85 -3.436 -11.087 -3.373 1.00 4.34 C ATOM 1317 C VAL A 85 -3.388 -10.152 -4.593 1.00 34.51 C ATOM 1318 O VAL A 85 -3.850 -10.512 -5.665 1.00 2.30 O ATOM 1319 CB VAL A 85 -2.221 -12.063 -3.388 1.00 75.42 C ATOM 1320 CG1 VAL A 85 -2.256 -12.983 -4.603 1.00 4.22 C ATOM 1321 CG2 VAL A 85 -0.912 -11.307 -3.325 1.00 33.22 C ATOM 0 H VAL A 85 -4.767 -12.533 -4.084 1.00 62.54 H new ATOM 0 HA VAL A 85 -3.378 -10.483 -2.467 1.00 4.34 H new ATOM 0 HB VAL A 85 -2.296 -12.687 -2.497 1.00 75.42 H new ATOM 0 HG11 VAL A 85 -1.394 -13.649 -4.580 1.00 4.22 H new ATOM 0 HG12 VAL A 85 -3.172 -13.574 -4.586 1.00 4.22 H new ATOM 0 HG13 VAL A 85 -2.228 -12.384 -5.514 1.00 4.22 H new ATOM 0 HG21 VAL A 85 -0.083 -12.014 -3.337 1.00 33.22 H new ATOM 0 HG22 VAL A 85 -0.834 -10.642 -4.185 1.00 33.22 H new ATOM 0 HG23 VAL A 85 -0.875 -10.720 -2.408 1.00 33.22 H new ATOM 1331 N MET A 86 -2.862 -8.951 -4.415 1.00 72.30 N ATOM 1332 CA MET A 86 -2.771 -7.974 -5.500 1.00 73.52 C ATOM 1333 C MET A 86 -1.462 -7.244 -5.484 1.00 13.22 C ATOM 1334 O MET A 86 -0.830 -7.120 -4.446 1.00 71.50 O ATOM 1335 CB MET A 86 -3.891 -6.945 -5.447 1.00 13.23 C ATOM 1336 CG MET A 86 -5.268 -7.501 -5.659 1.00 12.25 C ATOM 1337 SD MET A 86 -6.517 -6.215 -5.664 1.00 62.54 S ATOM 1338 CE MET A 86 -6.008 -5.239 -7.084 1.00 25.31 C ATOM 0 H MET A 86 -2.488 -8.623 -3.525 1.00 72.30 H new ATOM 0 HA MET A 86 -2.859 -8.553 -6.420 1.00 73.52 H new ATOM 0 HB2 MET A 86 -3.861 -6.446 -4.478 1.00 13.23 H new ATOM 0 HB3 MET A 86 -3.702 -6.184 -6.204 1.00 13.23 H new ATOM 0 HG2 MET A 86 -5.299 -8.041 -6.605 1.00 12.25 H new ATOM 0 HG3 MET A 86 -5.493 -8.222 -4.873 1.00 12.25 H new ATOM 0 HE1 MET A 86 -6.819 -4.572 -7.377 1.00 25.31 H new ATOM 0 HE2 MET A 86 -5.129 -4.649 -6.824 1.00 25.31 H new ATOM 0 HE3 MET A 86 -5.767 -5.903 -7.914 1.00 25.31 H new ATOM 1348 N HIS A 87 -1.048 -6.772 -6.634 1.00 35.32 N ATOM 1349 CA HIS A 87 0.156 -5.954 -6.727 1.00 30.31 C ATOM 1350 C HIS A 87 -0.251 -4.508 -6.965 1.00 22.43 C ATOM 1351 O HIS A 87 -1.169 -4.247 -7.722 1.00 55.14 O ATOM 1352 CB HIS A 87 1.115 -6.418 -7.826 1.00 30.21 C ATOM 1353 CG HIS A 87 1.741 -7.767 -7.619 1.00 15.02 C ATOM 1354 ND1 HIS A 87 2.975 -7.924 -7.044 1.00 53.12 N ATOM 1355 CD2 HIS A 87 1.315 -9.027 -7.939 1.00 54.22 C ATOM 1356 CE1 HIS A 87 3.287 -9.196 -7.010 1.00 32.13 C ATOM 1357 NE2 HIS A 87 2.303 -9.885 -7.543 1.00 31.34 N ATOM 0 H HIS A 87 -1.520 -6.935 -7.523 1.00 35.32 H new ATOM 0 HA HIS A 87 0.697 -6.055 -5.786 1.00 30.31 H new ATOM 0 HB2 HIS A 87 0.575 -6.430 -8.772 1.00 30.21 H new ATOM 0 HB3 HIS A 87 1.911 -5.680 -7.923 1.00 30.21 H new ATOM 0 HD2 HIS A 87 0.381 -9.292 -8.412 1.00 54.22 H new ATOM 0 HE1 HIS A 87 4.201 -9.610 -6.610 1.00 32.13 H new ATOM 0 HE2 HIS A 87 2.280 -10.900 -7.645 1.00 31.34 H new ATOM 1366 N LEU A 88 0.387 -3.581 -6.296 1.00 52.10 N ATOM 1367 CA LEU A 88 0.021 -2.173 -6.412 1.00 3.24 C ATOM 1368 C LEU A 88 1.215 -1.337 -6.801 1.00 14.30 C ATOM 1369 O LEU A 88 2.288 -1.451 -6.195 1.00 65.44 O ATOM 1370 CB LEU A 88 -0.573 -1.628 -5.086 1.00 50.02 C ATOM 1371 CG LEU A 88 -1.865 -2.287 -4.543 1.00 43.15 C ATOM 1372 CD1 LEU A 88 -2.986 -2.240 -5.561 1.00 21.45 C ATOM 1373 CD2 LEU A 88 -1.614 -3.705 -4.059 1.00 4.15 C ATOM 0 H LEU A 88 1.164 -3.766 -5.662 1.00 52.10 H new ATOM 0 HA LEU A 88 -0.739 -2.105 -7.191 1.00 3.24 H new ATOM 0 HB2 LEU A 88 0.194 -1.713 -4.316 1.00 50.02 H new ATOM 0 HB3 LEU A 88 -0.772 -0.565 -5.221 1.00 50.02 H new ATOM 0 HG LEU A 88 -2.183 -1.702 -3.680 1.00 43.15 H new ATOM 0 HD11 LEU A 88 -3.876 -2.712 -5.144 1.00 21.45 H new ATOM 0 HD12 LEU A 88 -3.208 -1.202 -5.810 1.00 21.45 H new ATOM 0 HD13 LEU A 88 -2.682 -2.772 -6.462 1.00 21.45 H new ATOM 0 HD21 LEU A 88 -2.545 -4.132 -3.686 1.00 4.15 H new ATOM 0 HD22 LEU A 88 -1.242 -4.311 -4.885 1.00 4.15 H new ATOM 0 HD23 LEU A 88 -0.875 -3.691 -3.258 1.00 4.15 H new ATOM 1385 N VAL A 89 1.036 -0.492 -7.791 1.00 63.40 N ATOM 1386 CA VAL A 89 2.101 0.373 -8.266 1.00 52.10 C ATOM 1387 C VAL A 89 1.625 1.831 -8.284 1.00 74.23 C ATOM 1388 O VAL A 89 0.500 2.128 -8.694 1.00 42.24 O ATOM 1389 CB VAL A 89 2.650 -0.060 -9.674 1.00 62.03 C ATOM 1390 CG1 VAL A 89 3.240 -1.461 -9.628 1.00 71.54 C ATOM 1391 CG2 VAL A 89 1.577 0.019 -10.746 1.00 5.33 C ATOM 0 H VAL A 89 0.153 -0.382 -8.290 1.00 63.40 H new ATOM 0 HA VAL A 89 2.934 0.278 -7.570 1.00 52.10 H new ATOM 0 HB VAL A 89 3.441 0.643 -9.935 1.00 62.03 H new ATOM 0 HG11 VAL A 89 3.611 -1.732 -10.616 1.00 71.54 H new ATOM 0 HG12 VAL A 89 4.062 -1.486 -8.912 1.00 71.54 H new ATOM 0 HG13 VAL A 89 2.471 -2.170 -9.322 1.00 71.54 H new ATOM 0 HG21 VAL A 89 1.996 -0.288 -11.704 1.00 5.33 H new ATOM 0 HG22 VAL A 89 0.751 -0.642 -10.483 1.00 5.33 H new ATOM 0 HG23 VAL A 89 1.213 1.044 -10.821 1.00 5.33 H new ATOM 1401 N ALA A 90 2.451 2.723 -7.804 1.00 32.22 N ATOM 1402 CA ALA A 90 2.091 4.122 -7.728 1.00 22.41 C ATOM 1403 C ALA A 90 3.214 5.006 -8.232 1.00 52.31 C ATOM 1404 O ALA A 90 4.348 4.885 -7.777 1.00 32.42 O ATOM 1405 CB ALA A 90 1.748 4.491 -6.294 1.00 40.43 C ATOM 0 H ALA A 90 3.385 2.507 -7.456 1.00 32.22 H new ATOM 0 HA ALA A 90 1.220 4.283 -8.364 1.00 22.41 H new ATOM 0 HB1 ALA A 90 1.478 5.546 -6.244 1.00 40.43 H new ATOM 0 HB2 ALA A 90 0.908 3.885 -5.953 1.00 40.43 H new ATOM 0 HB3 ALA A 90 2.611 4.307 -5.655 1.00 40.43 H new