USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 417 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 65:sc= -0.183 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.11) USER MOD Set 2.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -101:sc= 0.0546 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 133:sc= -0.378 (180deg=-1.65!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.0316 (180deg=-0.292) USER MOD Single : A 32 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.52) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.6) USER MOD Single : A 37 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1.6!) USER MOD Single : A 44 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 45 TYR OH : rot 25:sc= 0.155 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -179:sc= -0.615 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.935 -0.054 -18.790 1.00 3.32 N ATOM 2 CA MET A 1 -11.887 -1.105 -18.447 1.00 74.22 C ATOM 3 C MET A 1 -11.376 -2.470 -18.898 1.00 73.40 C ATOM 4 O MET A 1 -10.620 -2.574 -19.865 1.00 50.13 O ATOM 5 CB MET A 1 -13.247 -0.819 -19.087 1.00 32.55 C ATOM 6 CG MET A 1 -14.064 0.222 -18.339 1.00 15.35 C ATOM 7 SD MET A 1 -15.470 0.820 -19.295 1.00 21.01 S ATOM 8 CE MET A 1 -16.694 1.026 -18.004 1.00 55.34 C ATOM 0 H1 MET A 1 -10.386 0.206 -17.946 1.00 3.32 H new ATOM 0 H2 MET A 1 -10.290 -0.398 -19.530 1.00 3.32 H new ATOM 0 H3 MET A 1 -11.449 0.780 -19.139 1.00 3.32 H new ATOM 0 HA MET A 1 -12.000 -1.119 -17.363 1.00 74.22 H new ATOM 0 HB2 MET A 1 -13.093 -0.481 -20.112 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.817 -1.747 -19.140 1.00 32.55 H new ATOM 0 HG2 MET A 1 -14.422 -0.207 -17.403 1.00 15.35 H new ATOM 0 HG3 MET A 1 -13.422 1.064 -18.079 1.00 15.35 H new ATOM 0 HE1 MET A 1 -17.624 1.392 -18.439 1.00 55.34 H new ATOM 0 HE2 MET A 1 -16.874 0.068 -17.517 1.00 55.34 H new ATOM 0 HE3 MET A 1 -16.330 1.744 -17.269 1.00 55.34 H new ATOM 18 N THR A 2 -11.795 -3.517 -18.193 1.00 10.15 N ATOM 19 CA THR A 2 -11.378 -4.874 -18.520 1.00 20.41 C ATOM 20 C THR A 2 -12.500 -5.643 -19.210 1.00 2.24 C ATOM 21 O THR A 2 -13.649 -5.612 -18.768 1.00 31.53 O ATOM 22 CB THR A 2 -10.941 -5.647 -17.261 1.00 61.45 C ATOM 23 OG1 THR A 2 -9.903 -4.930 -16.582 1.00 34.53 O ATOM 24 CG2 THR A 2 -10.449 -7.039 -17.624 1.00 12.34 C ATOM 0 H THR A 2 -12.423 -3.450 -17.392 1.00 10.15 H new ATOM 0 HA THR A 2 -10.529 -4.788 -19.198 1.00 20.41 H new ATOM 0 HB THR A 2 -11.805 -5.745 -16.603 1.00 61.45 H new ATOM 0 HG1 THR A 2 -9.632 -5.427 -15.782 1.00 34.53 H new ATOM 0 HG21 THR A 2 -10.146 -7.565 -16.719 1.00 12.34 H new ATOM 0 HG22 THR A 2 -11.250 -7.592 -18.114 1.00 12.34 H new ATOM 0 HG23 THR A 2 -9.597 -6.959 -18.300 1.00 12.34 H new ATOM 32 N PHE A 3 -12.160 -6.331 -20.295 1.00 71.13 N ATOM 33 CA PHE A 3 -13.139 -7.107 -21.046 1.00 5.34 C ATOM 34 C PHE A 3 -12.555 -8.449 -21.477 1.00 31.35 C ATOM 35 O PHE A 3 -11.355 -8.688 -21.344 1.00 14.10 O ATOM 36 CB PHE A 3 -13.609 -6.323 -22.273 1.00 13.42 C ATOM 37 CG PHE A 3 -14.484 -5.151 -21.938 1.00 61.41 C ATOM 38 CD1 PHE A 3 -15.831 -5.329 -21.666 1.00 3.30 C ATOM 39 CD2 PHE A 3 -13.960 -3.869 -21.894 1.00 14.50 C ATOM 40 CE1 PHE A 3 -16.640 -4.251 -21.357 1.00 51.03 C ATOM 41 CE2 PHE A 3 -14.763 -2.787 -21.585 1.00 61.42 C ATOM 42 CZ PHE A 3 -16.105 -2.978 -21.317 1.00 53.44 C ATOM 0 H PHE A 3 -11.214 -6.367 -20.674 1.00 71.13 H new ATOM 0 HA PHE A 3 -13.993 -7.296 -20.395 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.737 -5.969 -22.824 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -14.154 -6.995 -22.936 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -16.254 -6.322 -21.696 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -12.912 -3.713 -22.104 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -17.688 -4.404 -21.147 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -14.342 -1.793 -21.553 1.00 61.42 H new ATOM 0 HZ PHE A 3 -16.734 -2.134 -21.077 1.00 53.44 H new ATOM 52 N LYS A 4 -13.413 -9.322 -21.993 1.00 33.24 N ATOM 53 CA LYS A 4 -12.984 -10.640 -22.445 1.00 21.53 C ATOM 54 C LYS A 4 -13.657 -11.009 -23.764 1.00 64.34 C ATOM 55 O LYS A 4 -14.775 -10.578 -24.042 1.00 12.13 O ATOM 56 CB LYS A 4 -13.307 -11.695 -21.385 1.00 53.22 C ATOM 57 CG LYS A 4 -14.783 -12.041 -21.299 1.00 22.24 C ATOM 58 CD LYS A 4 -15.177 -12.462 -19.892 1.00 3.42 C ATOM 59 CE LYS A 4 -15.136 -11.288 -18.927 1.00 15.10 C ATOM 60 NZ LYS A 4 -15.982 -11.528 -17.724 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.410 -9.141 -22.109 1.00 33.24 H new ATOM 0 HA LYS A 4 -11.906 -10.609 -22.603 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -12.742 -12.601 -21.603 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -12.970 -11.336 -20.413 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -15.378 -11.179 -21.602 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -15.010 -12.846 -21.998 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -16.180 -12.888 -19.906 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -14.503 -13.245 -19.543 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -14.107 -11.109 -18.617 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -15.477 -10.387 -19.437 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -15.927 -10.705 -17.091 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -16.969 -11.674 -18.017 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -15.641 -12.373 -17.223 1.00 54.24 H new ATOM 74 N ALA A 5 -12.968 -11.808 -24.571 1.00 23.53 N ATOM 75 CA ALA A 5 -13.500 -12.237 -25.859 1.00 20.41 C ATOM 76 C ALA A 5 -13.478 -13.756 -25.983 1.00 72.24 C ATOM 77 O ALA A 5 -12.479 -14.401 -25.662 1.00 53.44 O ATOM 78 CB ALA A 5 -12.711 -11.601 -26.994 1.00 73.13 C ATOM 0 H ALA A 5 -12.040 -12.172 -24.356 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.537 -11.908 -25.924 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -13.119 -11.930 -27.950 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.782 -10.516 -26.923 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.666 -11.901 -26.923 1.00 73.13 H new ATOM 84 N ILE A 6 -14.585 -14.323 -26.451 1.00 43.32 N ATOM 85 CA ILE A 6 -14.693 -15.766 -26.617 1.00 34.32 C ATOM 86 C ILE A 6 -14.865 -16.139 -28.086 1.00 75.13 C ATOM 87 O ILE A 6 -15.596 -15.477 -28.823 1.00 43.54 O ATOM 88 CB ILE A 6 -15.873 -16.340 -25.811 1.00 0.45 C ATOM 89 CG1 ILE A 6 -15.826 -17.870 -25.817 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.193 -15.843 -26.380 1.00 73.33 C ATOM 91 CD1 ILE A 6 -14.732 -18.444 -24.946 1.00 10.23 C ATOM 0 H ILE A 6 -15.420 -13.804 -26.722 1.00 43.32 H new ATOM 0 HA ILE A 6 -13.765 -16.197 -26.241 1.00 34.32 H new ATOM 0 HB ILE A 6 -15.792 -15.997 -24.780 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -16.788 -18.256 -25.480 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -15.684 -18.217 -26.840 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.018 -16.257 -25.800 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.224 -14.755 -26.330 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.284 -16.161 -27.419 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -14.758 -19.532 -24.999 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -13.763 -18.087 -25.296 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -14.884 -18.127 -23.914 1.00 10.23 H new ATOM 103 N ILE A 7 -14.188 -17.204 -28.505 1.00 61.12 N ATOM 104 CA ILE A 7 -14.269 -17.666 -29.884 1.00 70.24 C ATOM 105 C ILE A 7 -15.039 -18.978 -29.980 1.00 73.23 C ATOM 106 O ILE A 7 -14.728 -19.945 -29.286 1.00 74.32 O ATOM 107 CB ILE A 7 -12.869 -17.860 -30.496 1.00 43.34 C ATOM 108 CG1 ILE A 7 -12.035 -16.587 -30.330 1.00 24.22 C ATOM 109 CG2 ILE A 7 -12.981 -18.239 -31.965 1.00 55.12 C ATOM 110 CD1 ILE A 7 -10.635 -16.705 -30.890 1.00 21.24 C ATOM 0 H ILE A 7 -13.578 -17.762 -27.908 1.00 61.12 H new ATOM 0 HA ILE A 7 -14.798 -16.895 -30.444 1.00 70.24 H new ATOM 0 HB ILE A 7 -12.367 -18.672 -29.969 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -12.546 -15.760 -30.823 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -11.974 -16.338 -29.271 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -11.983 -18.373 -32.383 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -13.542 -19.169 -32.059 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -13.498 -17.447 -32.507 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -10.102 -15.767 -30.738 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -10.106 -17.510 -30.380 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -10.687 -16.924 -31.957 1.00 21.24 H new ATOM 122 N ASN A 8 -16.046 -19.004 -30.848 1.00 44.31 N ATOM 123 CA ASN A 8 -16.862 -20.200 -31.035 1.00 54.12 C ATOM 124 C ASN A 8 -16.271 -21.095 -32.120 1.00 3.45 C ATOM 125 O ASN A 8 -15.523 -20.635 -32.982 1.00 74.11 O ATOM 126 CB ASN A 8 -18.296 -19.811 -31.403 1.00 64.50 C ATOM 127 CG ASN A 8 -19.278 -20.944 -31.175 1.00 13.51 C ATOM 128 OD1 ASN A 8 -20.039 -21.310 -32.071 1.00 51.34 O ATOM 129 ND2 ASN A 8 -19.264 -21.506 -29.971 1.00 52.55 N ATOM 0 H ASN A 8 -16.316 -18.213 -31.432 1.00 44.31 H new ATOM 0 HA ASN A 8 -16.873 -20.755 -30.097 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -18.598 -18.947 -30.812 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -18.331 -19.509 -32.450 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -19.901 -22.274 -29.759 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -18.616 -21.170 -29.259 1.00 52.55 H new ATOM 136 N GLY A 9 -16.614 -22.379 -32.072 1.00 64.02 N ATOM 137 CA GLY A 9 -16.110 -23.319 -33.056 1.00 71.24 C ATOM 138 C GLY A 9 -16.176 -24.755 -32.573 1.00 4.45 C ATOM 139 O GLY A 9 -15.527 -25.119 -31.593 1.00 51.23 O ATOM 0 H GLY A 9 -17.232 -22.785 -31.369 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -16.687 -23.221 -33.976 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -15.078 -23.068 -33.299 1.00 71.24 H new ATOM 143 N LYS A 10 -16.967 -25.572 -33.262 1.00 61.35 N ATOM 144 CA LYS A 10 -17.117 -26.977 -32.899 1.00 63.23 C ATOM 145 C LYS A 10 -15.793 -27.720 -33.039 1.00 15.24 C ATOM 146 O LYS A 10 -15.451 -28.563 -32.209 1.00 72.44 O ATOM 147 CB LYS A 10 -18.182 -27.640 -33.775 1.00 21.11 C ATOM 148 CG LYS A 10 -18.365 -29.121 -33.494 1.00 0.45 C ATOM 149 CD LYS A 10 -19.751 -29.597 -33.895 1.00 62.51 C ATOM 150 CE LYS A 10 -20.773 -29.322 -32.803 1.00 31.44 C ATOM 151 NZ LYS A 10 -21.409 -27.985 -32.963 1.00 14.44 N1+ ATOM 0 H LYS A 10 -17.514 -25.285 -34.074 1.00 61.35 H new ATOM 0 HA LYS A 10 -17.431 -27.025 -31.856 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -19.133 -27.130 -33.624 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -17.912 -27.508 -34.823 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -17.612 -29.691 -34.038 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -18.206 -29.313 -32.433 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -20.056 -29.098 -34.814 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -19.722 -30.666 -34.107 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -21.542 -30.095 -32.822 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -20.288 -29.379 -31.829 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -22.440 -28.076 -32.861 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -21.045 -27.338 -32.235 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -21.187 -27.606 -33.906 1.00 14.44 H new ATOM 165 N THR A 11 -15.050 -27.401 -34.094 1.00 75.42 N ATOM 166 CA THR A 11 -13.763 -28.038 -34.343 1.00 45.15 C ATOM 167 C THR A 11 -12.723 -27.597 -33.319 1.00 43.34 C ATOM 168 O THR A 11 -11.877 -28.387 -32.897 1.00 53.01 O ATOM 169 CB THR A 11 -13.242 -27.719 -35.757 1.00 51.20 C ATOM 170 OG1 THR A 11 -13.449 -26.334 -36.055 1.00 61.24 O ATOM 171 CG2 THR A 11 -13.943 -28.577 -36.799 1.00 64.34 C ATOM 0 H THR A 11 -15.318 -26.705 -34.790 1.00 75.42 H new ATOM 0 HA THR A 11 -13.921 -29.113 -34.256 1.00 45.15 H new ATOM 0 HB THR A 11 -12.175 -27.941 -35.785 1.00 51.20 H new ATOM 0 HG1 THR A 11 -13.113 -26.139 -36.955 1.00 61.24 H new ATOM 0 HG21 THR A 11 -13.558 -28.334 -37.789 1.00 64.34 H new ATOM 0 HG22 THR A 11 -13.759 -29.630 -36.587 1.00 64.34 H new ATOM 0 HG23 THR A 11 -15.015 -28.383 -36.769 1.00 64.34 H new ATOM 179 N LEU A 12 -12.792 -26.331 -32.922 1.00 14.20 N ATOM 180 CA LEU A 12 -11.857 -25.784 -31.945 1.00 71.25 C ATOM 181 C LEU A 12 -12.369 -24.462 -31.381 1.00 11.25 C ATOM 182 O LEU A 12 -13.004 -23.678 -32.087 1.00 31.51 O ATOM 183 CB LEU A 12 -10.482 -25.580 -32.585 1.00 3.23 C ATOM 184 CG LEU A 12 -9.356 -25.163 -31.638 1.00 35.12 C ATOM 185 CD1 LEU A 12 -8.818 -26.369 -30.885 1.00 11.42 C ATOM 186 CD2 LEU A 12 -8.240 -24.472 -32.409 1.00 24.33 C ATOM 0 H LEU A 12 -13.485 -25.664 -33.261 1.00 14.20 H new ATOM 0 HA LEU A 12 -11.768 -26.497 -31.125 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -10.191 -26.508 -33.077 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -10.574 -24.822 -33.363 1.00 3.23 H new ATOM 0 HG LEU A 12 -9.760 -24.458 -30.912 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -8.018 -26.053 -30.216 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -9.620 -26.822 -30.302 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -8.430 -27.098 -31.596 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -7.447 -24.182 -31.720 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -7.838 -25.155 -33.158 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -8.635 -23.584 -32.902 1.00 24.33 H new ATOM 198 N LYS A 13 -12.087 -24.220 -30.106 1.00 74.53 N ATOM 199 CA LYS A 13 -12.515 -22.993 -29.447 1.00 63.41 C ATOM 200 C LYS A 13 -11.314 -22.204 -28.932 1.00 51.50 C ATOM 201 O LYS A 13 -10.210 -22.735 -28.826 1.00 41.22 O ATOM 202 CB LYS A 13 -13.461 -23.315 -28.288 1.00 61.25 C ATOM 203 CG LYS A 13 -14.909 -23.486 -28.715 1.00 35.23 C ATOM 204 CD LYS A 13 -15.717 -24.226 -27.663 1.00 31.02 C ATOM 205 CE LYS A 13 -17.212 -24.048 -27.880 1.00 52.41 C ATOM 206 NZ LYS A 13 -17.729 -22.825 -27.209 1.00 2.51 N1+ ATOM 0 H LYS A 13 -11.563 -24.859 -29.508 1.00 74.53 H new ATOM 0 HA LYS A 13 -13.042 -22.382 -30.180 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -13.125 -24.229 -27.799 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -13.401 -22.517 -27.548 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -15.354 -22.507 -28.895 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -14.949 -24.033 -29.657 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -15.468 -25.287 -27.691 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -15.446 -23.861 -26.672 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -17.419 -23.991 -28.949 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -17.741 -24.922 -27.499 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -18.751 -22.740 -27.381 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -17.554 -22.890 -26.186 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -17.243 -21.988 -27.590 1.00 2.51 H new ATOM 220 N GLY A 14 -11.540 -20.932 -28.613 1.00 72.31 N ATOM 221 CA GLY A 14 -10.468 -20.092 -28.112 1.00 53.44 C ATOM 222 C GLY A 14 -10.921 -19.183 -26.988 1.00 32.23 C ATOM 223 O GLY A 14 -12.098 -18.833 -26.900 1.00 62.11 O ATOM 0 H GLY A 14 -12.446 -20.469 -28.693 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -9.652 -20.722 -27.759 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -10.073 -19.487 -28.928 1.00 53.44 H new ATOM 227 N GLU A 15 -9.986 -18.803 -26.123 1.00 72.40 N ATOM 228 CA GLU A 15 -10.298 -17.930 -24.997 1.00 14.51 C ATOM 229 C GLU A 15 -9.210 -16.877 -24.807 1.00 2.11 C ATOM 230 O GLU A 15 -8.064 -17.200 -24.492 1.00 50.33 O ATOM 231 CB GLU A 15 -10.457 -18.752 -23.716 1.00 41.21 C ATOM 232 CG GLU A 15 -9.369 -19.797 -23.524 1.00 33.00 C ATOM 233 CD GLU A 15 -9.374 -20.394 -22.131 1.00 5.33 C ATOM 234 OE1 GLU A 15 -8.286 -20.771 -21.644 1.00 42.21 O ATOM 235 OE2 GLU A 15 -10.463 -20.485 -21.526 1.00 1.43 O1- ATOM 0 H GLU A 15 -9.008 -19.085 -26.180 1.00 72.40 H new ATOM 0 HA GLU A 15 -11.237 -17.421 -25.213 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -10.457 -18.078 -22.859 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -11.427 -19.248 -23.731 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -9.501 -20.593 -24.257 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -8.397 -19.344 -23.718 1.00 33.00 H new ATOM 242 N THR A 16 -9.577 -15.614 -25.000 1.00 64.02 N ATOM 243 CA THR A 16 -8.634 -14.513 -24.852 1.00 12.05 C ATOM 244 C THR A 16 -9.286 -13.320 -24.163 1.00 42.21 C ATOM 245 O THR A 16 -10.496 -13.116 -24.262 1.00 10.11 O ATOM 246 CB THR A 16 -8.079 -14.062 -26.216 1.00 72.14 C ATOM 247 OG1 THR A 16 -9.156 -13.812 -27.126 1.00 21.02 O ATOM 248 CG2 THR A 16 -7.151 -15.119 -26.799 1.00 32.22 C ATOM 0 H THR A 16 -10.521 -15.328 -25.259 1.00 64.02 H new ATOM 0 HA THR A 16 -7.813 -14.881 -24.237 1.00 12.05 H new ATOM 0 HB THR A 16 -7.511 -13.144 -26.066 1.00 72.14 H new ATOM 0 HG1 THR A 16 -8.794 -13.524 -27.990 1.00 21.02 H new ATOM 0 HG21 THR A 16 -6.771 -14.778 -27.762 1.00 32.22 H new ATOM 0 HG22 THR A 16 -6.316 -15.286 -26.118 1.00 32.22 H new ATOM 0 HG23 THR A 16 -7.700 -16.051 -26.934 1.00 32.22 H new ATOM 256 N THR A 17 -8.476 -12.531 -23.464 1.00 12.33 N ATOM 257 CA THR A 17 -8.974 -11.357 -22.757 1.00 4.32 C ATOM 258 C THR A 17 -8.284 -10.089 -23.244 1.00 2.10 C ATOM 259 O THR A 17 -7.224 -10.145 -23.868 1.00 50.51 O ATOM 260 CB THR A 17 -8.769 -11.488 -21.236 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.635 -12.321 -20.965 1.00 35.25 O ATOM 262 CG2 THR A 17 -10.005 -12.074 -20.571 1.00 52.12 C ATOM 0 H THR A 17 -7.472 -12.684 -23.372 1.00 12.33 H new ATOM 0 HA THR A 17 -10.041 -11.290 -22.968 1.00 4.32 H new ATOM 0 HB THR A 17 -8.595 -10.492 -20.828 1.00 64.52 H new ATOM 0 HG1 THR A 17 -7.510 -12.398 -19.996 1.00 35.25 H new ATOM 0 HG21 THR A 17 -9.836 -12.157 -19.497 1.00 52.12 H new ATOM 0 HG22 THR A 17 -10.860 -11.423 -20.755 1.00 52.12 H new ATOM 0 HG23 THR A 17 -10.206 -13.063 -20.984 1.00 52.12 H new ATOM 270 N THR A 18 -8.891 -8.941 -22.955 1.00 22.31 N ATOM 271 CA THR A 18 -8.335 -7.658 -23.364 1.00 2.54 C ATOM 272 C THR A 18 -8.868 -6.525 -22.492 1.00 23.33 C ATOM 273 O THR A 18 -10.006 -6.570 -22.028 1.00 54.25 O ATOM 274 CB THR A 18 -8.658 -7.350 -24.838 1.00 23.14 C ATOM 275 OG1 THR A 18 -8.808 -8.571 -25.572 1.00 34.30 O ATOM 276 CG2 THR A 18 -7.560 -6.506 -25.467 1.00 44.33 C ATOM 0 H THR A 18 -9.768 -8.875 -22.439 1.00 22.31 H new ATOM 0 HA THR A 18 -7.254 -7.729 -23.244 1.00 2.54 H new ATOM 0 HB THR A 18 -9.592 -6.788 -24.873 1.00 23.14 H new ATOM 0 HG1 THR A 18 -9.015 -8.367 -26.508 1.00 34.30 H new ATOM 0 HG21 THR A 18 -7.810 -6.301 -26.508 1.00 44.33 H new ATOM 0 HG22 THR A 18 -7.468 -5.565 -24.924 1.00 44.33 H new ATOM 0 HG23 THR A 18 -6.614 -7.046 -25.420 1.00 44.33 H new ATOM 284 N GLU A 19 -8.035 -5.513 -22.274 1.00 43.54 N ATOM 285 CA GLU A 19 -8.423 -4.369 -21.457 1.00 43.13 C ATOM 286 C GLU A 19 -8.370 -3.078 -22.268 1.00 53.51 C ATOM 287 O GLU A 19 -7.316 -2.690 -22.770 1.00 62.32 O ATOM 288 CB GLU A 19 -7.510 -4.253 -20.235 1.00 75.33 C ATOM 289 CG GLU A 19 -6.032 -4.184 -20.582 1.00 64.13 C ATOM 290 CD GLU A 19 -5.242 -5.341 -20.004 1.00 55.41 C ATOM 291 OE1 GLU A 19 -5.750 -6.482 -20.038 1.00 63.52 O ATOM 292 OE2 GLU A 19 -4.117 -5.106 -19.517 1.00 10.35 O1- ATOM 0 H GLU A 19 -7.089 -5.462 -22.651 1.00 43.54 H new ATOM 0 HA GLU A 19 -9.448 -4.526 -21.122 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -7.784 -3.361 -19.671 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -7.681 -5.109 -19.582 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -5.917 -4.176 -21.666 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -5.619 -3.246 -20.211 1.00 64.13 H new ATOM 299 N ALA A 20 -9.517 -2.416 -22.394 1.00 42.41 N ATOM 300 CA ALA A 20 -9.601 -1.168 -23.142 1.00 61.43 C ATOM 301 C ALA A 20 -10.795 -0.335 -22.687 1.00 34.43 C ATOM 302 O ALA A 20 -11.836 -0.876 -22.314 1.00 52.30 O ATOM 303 CB ALA A 20 -9.692 -1.453 -24.634 1.00 42.42 C ATOM 0 H ALA A 20 -10.400 -2.724 -21.987 1.00 42.41 H new ATOM 0 HA ALA A 20 -8.695 -0.594 -22.947 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -9.754 -0.512 -25.181 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -8.806 -2.001 -24.954 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -10.581 -2.050 -24.837 1.00 42.42 H new ATOM 309 N VAL A 21 -10.637 0.983 -22.721 1.00 11.54 N ATOM 310 CA VAL A 21 -11.702 1.892 -22.313 1.00 64.42 C ATOM 311 C VAL A 21 -12.734 2.062 -23.422 1.00 23.33 C ATOM 312 O VAL A 21 -13.898 2.366 -23.159 1.00 70.44 O ATOM 313 CB VAL A 21 -11.143 3.276 -21.928 1.00 32.04 C ATOM 314 CG1 VAL A 21 -10.468 3.930 -23.124 1.00 72.54 C ATOM 315 CG2 VAL A 21 -12.250 4.162 -21.380 1.00 45.25 C ATOM 0 H VAL A 21 -9.781 1.446 -23.027 1.00 11.54 H new ATOM 0 HA VAL A 21 -12.181 1.447 -21.441 1.00 64.42 H new ATOM 0 HB VAL A 21 -10.395 3.143 -21.147 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -10.079 4.906 -22.834 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -9.647 3.300 -23.468 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -11.193 4.053 -23.929 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -11.838 5.135 -21.113 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -13.022 4.290 -22.138 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -12.684 3.697 -20.495 1.00 45.25 H new ATOM 325 N ASP A 22 -12.300 1.865 -24.661 1.00 42.31 N ATOM 326 CA ASP A 22 -13.187 1.995 -25.811 1.00 1.33 C ATOM 327 C ASP A 22 -13.284 0.679 -26.574 1.00 73.21 C ATOM 328 O ASP A 22 -12.402 -0.174 -26.476 1.00 2.50 O ATOM 329 CB ASP A 22 -12.690 3.103 -26.742 1.00 0.34 C ATOM 330 CG ASP A 22 -12.370 4.384 -25.999 1.00 65.24 C ATOM 331 OD1 ASP A 22 -13.290 4.956 -25.377 1.00 31.54 O ATOM 332 OD2 ASP A 22 -11.198 4.815 -26.036 1.00 73.30 O1- ATOM 0 H ASP A 22 -11.339 1.615 -24.895 1.00 42.31 H new ATOM 0 HA ASP A 22 -14.180 2.256 -25.445 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -11.799 2.759 -27.268 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -13.448 3.305 -27.498 1.00 0.34 H new ATOM 337 N ALA A 23 -14.363 0.519 -27.334 1.00 3.24 N ATOM 338 CA ALA A 23 -14.575 -0.694 -28.114 1.00 54.33 C ATOM 339 C ALA A 23 -13.595 -0.776 -29.280 1.00 5.03 C ATOM 340 O ALA A 23 -13.118 -1.855 -29.626 1.00 12.02 O ATOM 341 CB ALA A 23 -16.009 -0.751 -28.622 1.00 24.43 C ATOM 0 H ALA A 23 -15.104 1.214 -27.426 1.00 3.24 H new ATOM 0 HA ALA A 23 -14.397 -1.550 -27.463 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -16.153 -1.662 -29.203 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -16.695 -0.748 -27.775 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -16.207 0.116 -29.252 1.00 24.43 H new ATOM 347 N ALA A 24 -13.300 0.373 -29.880 1.00 2.42 N ATOM 348 CA ALA A 24 -12.376 0.431 -31.006 1.00 1.04 C ATOM 349 C ALA A 24 -10.983 -0.035 -30.597 1.00 20.15 C ATOM 350 O ALA A 24 -10.308 -0.741 -31.347 1.00 1.23 O ATOM 351 CB ALA A 24 -12.319 1.843 -31.569 1.00 53.41 C ATOM 0 H ALA A 24 -13.687 1.276 -29.605 1.00 2.42 H new ATOM 0 HA ALA A 24 -12.743 -0.242 -31.781 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -11.625 1.872 -32.409 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -13.312 2.140 -31.908 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -11.979 2.530 -30.794 1.00 53.41 H new ATOM 357 N THR A 25 -10.557 0.365 -29.402 1.00 32.45 N ATOM 358 CA THR A 25 -9.244 -0.010 -28.895 1.00 64.24 C ATOM 359 C THR A 25 -9.082 -1.525 -28.855 1.00 62.03 C ATOM 360 O THR A 25 -8.077 -2.064 -29.317 1.00 44.02 O ATOM 361 CB THR A 25 -9.004 0.558 -27.483 1.00 73.41 C ATOM 362 OG1 THR A 25 -9.231 1.972 -27.479 1.00 72.11 O ATOM 363 CG2 THR A 25 -7.585 0.267 -27.016 1.00 4.30 C ATOM 0 H THR A 25 -11.103 0.949 -28.768 1.00 32.45 H new ATOM 0 HA THR A 25 -8.508 0.413 -29.579 1.00 64.24 H new ATOM 0 HB THR A 25 -9.701 0.076 -26.798 1.00 73.41 H new ATOM 0 HG1 THR A 25 -9.078 2.325 -26.578 1.00 72.11 H new ATOM 0 HG21 THR A 25 -7.439 0.678 -26.017 1.00 4.30 H new ATOM 0 HG22 THR A 25 -7.423 -0.811 -26.993 1.00 4.30 H new ATOM 0 HG23 THR A 25 -6.874 0.725 -27.704 1.00 4.30 H new ATOM 371 N ALA A 26 -10.077 -2.208 -28.298 1.00 74.02 N ATOM 372 CA ALA A 26 -10.045 -3.661 -28.200 1.00 53.15 C ATOM 373 C ALA A 26 -10.352 -4.310 -29.546 1.00 23.31 C ATOM 374 O ALA A 26 -9.943 -5.440 -29.808 1.00 2.03 O ATOM 375 CB ALA A 26 -11.032 -4.141 -27.145 1.00 11.33 C ATOM 0 H ALA A 26 -10.915 -1.777 -27.908 1.00 74.02 H new ATOM 0 HA ALA A 26 -9.039 -3.957 -27.904 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -10.997 -5.229 -27.083 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -10.767 -3.713 -26.178 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -12.039 -3.825 -27.418 1.00 11.33 H new ATOM 381 N GLU A 27 -11.075 -3.585 -30.395 1.00 4.11 N ATOM 382 CA GLU A 27 -11.437 -4.093 -31.713 1.00 11.53 C ATOM 383 C GLU A 27 -10.194 -4.326 -32.566 1.00 23.50 C ATOM 384 O GLU A 27 -10.041 -5.378 -33.189 1.00 52.42 O ATOM 385 CB GLU A 27 -12.376 -3.113 -32.421 1.00 72.31 C ATOM 386 CG GLU A 27 -13.848 -3.387 -32.160 1.00 43.22 C ATOM 387 CD GLU A 27 -14.751 -2.301 -32.713 1.00 0.43 C ATOM 388 OE1 GLU A 27 -14.906 -2.232 -33.949 1.00 23.21 O ATOM 389 OE2 GLU A 27 -15.301 -1.520 -31.909 1.00 4.43 O1- ATOM 0 H GLU A 27 -11.421 -2.647 -30.194 1.00 4.11 H new ATOM 0 HA GLU A 27 -11.950 -5.046 -31.579 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -12.141 -2.099 -32.098 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -12.191 -3.156 -33.494 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -14.120 -4.343 -32.607 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -14.012 -3.479 -31.086 1.00 43.22 H new ATOM 396 N LYS A 28 -9.306 -3.337 -32.593 1.00 43.34 N ATOM 397 CA LYS A 28 -8.075 -3.433 -33.368 1.00 2.12 C ATOM 398 C LYS A 28 -7.280 -4.674 -32.975 1.00 23.24 C ATOM 399 O LYS A 28 -6.631 -5.299 -33.813 1.00 44.21 O ATOM 400 CB LYS A 28 -7.220 -2.181 -33.162 1.00 40.24 C ATOM 401 CG LYS A 28 -7.926 -0.891 -33.546 1.00 74.32 C ATOM 402 CD LYS A 28 -7.242 0.322 -32.941 1.00 34.15 C ATOM 403 CE LYS A 28 -7.614 1.599 -33.680 1.00 4.23 C ATOM 404 NZ LYS A 28 -8.912 2.154 -33.206 1.00 4.24 N1+ ATOM 0 H LYS A 28 -9.417 -2.459 -32.086 1.00 43.34 H new ATOM 0 HA LYS A 28 -8.344 -3.513 -34.421 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -6.921 -2.124 -32.115 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -6.307 -2.274 -33.750 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -7.945 -0.795 -34.632 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -8.963 -0.929 -33.211 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -7.522 0.413 -31.892 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -6.161 0.184 -32.972 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -6.828 2.342 -33.540 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -7.674 1.396 -34.749 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -9.131 3.023 -33.733 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -9.666 1.455 -33.362 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -8.847 2.372 -32.191 1.00 4.24 H new ATOM 418 N VAL A 29 -7.336 -5.027 -31.694 1.00 21.30 N ATOM 419 CA VAL A 29 -6.623 -6.195 -31.192 1.00 25.12 C ATOM 420 C VAL A 29 -6.971 -7.441 -31.999 1.00 3.02 C ATOM 421 O VAL A 29 -6.104 -8.265 -32.293 1.00 53.33 O ATOM 422 CB VAL A 29 -6.945 -6.453 -29.708 1.00 45.21 C ATOM 423 CG1 VAL A 29 -6.171 -7.657 -29.194 1.00 44.51 C ATOM 424 CG2 VAL A 29 -6.641 -5.218 -28.874 1.00 72.10 C ATOM 0 H VAL A 29 -7.868 -4.521 -30.986 1.00 21.30 H new ATOM 0 HA VAL A 29 -5.559 -5.984 -31.295 1.00 25.12 H new ATOM 0 HB VAL A 29 -8.009 -6.671 -29.619 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -6.412 -7.823 -28.144 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -6.444 -8.539 -29.773 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -5.102 -7.473 -29.296 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -6.875 -5.419 -27.828 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -5.585 -4.966 -28.968 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -7.246 -4.383 -29.227 1.00 72.10 H new ATOM 434 N PHE A 30 -8.244 -7.571 -32.357 1.00 64.42 N ATOM 435 CA PHE A 30 -8.707 -8.717 -33.131 1.00 35.02 C ATOM 436 C PHE A 30 -8.498 -8.484 -34.625 1.00 62.14 C ATOM 437 O PHE A 30 -8.321 -9.429 -35.395 1.00 3.15 O ATOM 438 CB PHE A 30 -10.185 -8.988 -32.847 1.00 12.44 C ATOM 439 CG PHE A 30 -10.517 -9.023 -31.383 1.00 52.15 C ATOM 440 CD1 PHE A 30 -11.435 -8.135 -30.846 1.00 52.04 C ATOM 441 CD2 PHE A 30 -9.910 -9.943 -30.542 1.00 11.01 C ATOM 442 CE1 PHE A 30 -11.743 -8.165 -29.498 1.00 11.44 C ATOM 443 CE2 PHE A 30 -10.215 -9.978 -29.195 1.00 32.40 C ATOM 444 CZ PHE A 30 -11.131 -9.087 -28.672 1.00 5.33 C ATOM 0 H PHE A 30 -8.973 -6.897 -32.124 1.00 64.42 H new ATOM 0 HA PHE A 30 -8.122 -9.587 -32.831 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -10.787 -8.218 -33.330 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -10.465 -9.940 -33.298 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -11.916 -7.411 -31.487 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -9.190 -10.640 -30.945 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -12.461 -7.468 -29.092 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -9.737 -10.702 -28.551 1.00 32.40 H new ATOM 0 HZ PHE A 30 -11.368 -9.111 -27.619 1.00 5.33 H new ATOM 454 N LYS A 31 -8.522 -7.218 -35.029 1.00 13.35 N ATOM 455 CA LYS A 31 -8.337 -6.857 -36.429 1.00 22.03 C ATOM 456 C LYS A 31 -7.046 -7.456 -36.978 1.00 4.01 C ATOM 457 O LYS A 31 -6.950 -7.762 -38.166 1.00 74.12 O ATOM 458 CB LYS A 31 -8.313 -5.336 -36.587 1.00 52.34 C ATOM 459 CG LYS A 31 -7.913 -4.874 -37.977 1.00 74.40 C ATOM 460 CD LYS A 31 -8.558 -3.544 -38.330 1.00 13.51 C ATOM 461 CE LYS A 31 -7.736 -2.781 -39.357 1.00 21.40 C ATOM 462 NZ LYS A 31 -6.455 -2.283 -38.783 1.00 50.35 N1+ ATOM 0 H LYS A 31 -8.668 -6.424 -34.405 1.00 13.35 H new ATOM 0 HA LYS A 31 -9.176 -7.261 -36.996 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -9.301 -4.939 -36.352 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -7.619 -4.915 -35.860 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -6.829 -4.779 -38.032 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -8.205 -5.627 -38.710 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -9.561 -3.717 -38.721 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -8.667 -2.941 -37.429 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -7.525 -3.429 -40.208 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -8.317 -1.939 -39.734 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -6.098 -1.496 -39.362 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -6.616 -1.952 -37.810 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -5.755 -3.053 -38.776 1.00 50.35 H new ATOM 476 N GLN A 32 -6.058 -7.622 -36.106 1.00 12.22 N ATOM 477 CA GLN A 32 -4.773 -8.186 -36.505 1.00 64.31 C ATOM 478 C GLN A 32 -4.828 -9.710 -36.518 1.00 73.14 C ATOM 479 O GLN A 32 -4.080 -10.360 -37.248 1.00 72.14 O ATOM 480 CB GLN A 32 -3.668 -7.712 -35.558 1.00 31.11 C ATOM 481 CG GLN A 32 -2.271 -7.831 -36.146 1.00 43.12 C ATOM 482 CD GLN A 32 -1.669 -9.207 -35.943 1.00 30.42 C ATOM 483 OE1 GLN A 32 -1.295 -9.881 -36.904 1.00 41.20 O ATOM 484 NE2 GLN A 32 -1.572 -9.633 -34.690 1.00 61.01 N ATOM 0 H GLN A 32 -6.122 -7.374 -35.119 1.00 12.22 H new ATOM 0 HA GLN A 32 -4.550 -7.840 -37.514 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -3.853 -6.672 -35.289 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -3.716 -8.293 -34.637 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -2.309 -7.609 -37.212 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -1.623 -7.084 -35.688 1.00 43.12 H new ATOM 0 HE21 GLN A 32 -1.894 -9.042 -33.924 1.00 61.01 H new ATOM 0 HE22 GLN A 32 -1.175 -10.552 -34.493 1.00 61.01 H new ATOM 493 N TYR A 33 -5.717 -10.272 -35.708 1.00 0.51 N ATOM 494 CA TYR A 33 -5.867 -11.720 -35.626 1.00 64.52 C ATOM 495 C TYR A 33 -6.578 -12.265 -36.860 1.00 3.34 C ATOM 496 O TYR A 33 -6.391 -13.422 -37.238 1.00 3.14 O ATOM 497 CB TYR A 33 -6.646 -12.102 -34.365 1.00 74.12 C ATOM 498 CG TYR A 33 -5.768 -12.325 -33.155 1.00 2.13 C ATOM 499 CD1 TYR A 33 -4.784 -13.306 -33.159 1.00 44.13 C ATOM 500 CD2 TYR A 33 -5.923 -11.557 -32.008 1.00 14.23 C ATOM 501 CE1 TYR A 33 -3.979 -13.515 -32.056 1.00 22.11 C ATOM 502 CE2 TYR A 33 -5.122 -11.758 -30.900 1.00 11.55 C ATOM 503 CZ TYR A 33 -4.152 -12.737 -30.929 1.00 40.41 C ATOM 504 OH TYR A 33 -3.353 -12.941 -29.827 1.00 2.51 O ATOM 0 H TYR A 33 -6.345 -9.747 -35.099 1.00 0.51 H new ATOM 0 HA TYR A 33 -4.871 -12.161 -35.578 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -7.366 -11.315 -34.141 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -7.217 -13.010 -34.562 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -4.646 -13.916 -34.040 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -6.683 -10.790 -31.982 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -3.219 -14.282 -32.075 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -5.255 -11.152 -30.016 1.00 11.55 H new ATOM 0 HH TYR A 33 -3.603 -12.310 -29.120 1.00 2.51 H new ATOM 514 N PHE A 34 -7.393 -11.423 -37.487 1.00 1.24 N ATOM 515 CA PHE A 34 -8.132 -11.819 -38.679 1.00 71.25 C ATOM 516 C PHE A 34 -7.191 -12.381 -39.741 1.00 75.23 C ATOM 517 O PHE A 34 -7.511 -13.360 -40.413 1.00 24.13 O ATOM 518 CB PHE A 34 -8.904 -10.626 -39.246 1.00 45.01 C ATOM 519 CG PHE A 34 -10.290 -10.488 -38.684 1.00 40.33 C ATOM 520 CD1 PHE A 34 -11.369 -10.246 -39.520 1.00 50.01 C ATOM 521 CD2 PHE A 34 -10.514 -10.598 -37.322 1.00 32.15 C ATOM 522 CE1 PHE A 34 -12.646 -10.119 -39.006 1.00 32.33 C ATOM 523 CE2 PHE A 34 -11.789 -10.472 -36.803 1.00 24.42 C ATOM 524 CZ PHE A 34 -12.857 -10.230 -37.646 1.00 24.34 C ATOM 0 H PHE A 34 -7.558 -10.462 -37.189 1.00 1.24 H new ATOM 0 HA PHE A 34 -8.839 -12.599 -38.395 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -8.345 -9.712 -39.043 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -8.968 -10.726 -40.329 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -11.210 -10.156 -40.584 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -9.683 -10.784 -36.658 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -13.479 -9.933 -39.668 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -11.950 -10.563 -35.739 1.00 24.42 H new ATOM 0 HZ PHE A 34 -13.854 -10.128 -37.242 1.00 24.34 H new ATOM 534 N ASN A 35 -6.029 -11.751 -39.886 1.00 25.20 N ATOM 535 CA ASN A 35 -5.041 -12.187 -40.867 1.00 13.22 C ATOM 536 C ASN A 35 -4.186 -13.321 -40.311 1.00 14.35 C ATOM 537 O ASN A 35 -3.673 -14.152 -41.060 1.00 32.43 O ATOM 538 CB ASN A 35 -4.149 -11.014 -41.278 1.00 15.24 C ATOM 539 CG ASN A 35 -2.936 -11.461 -42.071 1.00 53.00 C ATOM 540 OD1 ASN A 35 -1.934 -11.895 -41.503 1.00 50.44 O ATOM 541 ND2 ASN A 35 -3.023 -11.355 -43.393 1.00 2.01 N ATOM 0 H ASN A 35 -5.749 -10.938 -39.337 1.00 25.20 H new ATOM 0 HA ASN A 35 -5.574 -12.555 -41.744 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -4.730 -10.310 -41.874 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -3.820 -10.481 -40.386 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -2.239 -11.639 -43.980 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -3.874 -10.989 -43.820 1.00 2.01 H new ATOM 548 N ASP A 36 -4.036 -13.349 -38.991 1.00 72.53 N ATOM 549 CA ASP A 36 -3.245 -14.381 -38.333 1.00 31.41 C ATOM 550 C ASP A 36 -3.924 -15.741 -38.445 1.00 53.41 C ATOM 551 O ASP A 36 -3.277 -16.748 -38.729 1.00 51.11 O ATOM 552 CB ASP A 36 -3.026 -14.026 -36.861 1.00 41.52 C ATOM 553 CG ASP A 36 -2.373 -15.152 -36.084 1.00 10.32 C ATOM 554 OD1 ASP A 36 -1.165 -15.043 -35.784 1.00 11.35 O ATOM 555 OD2 ASP A 36 -3.069 -16.141 -35.775 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.452 -12.668 -38.356 1.00 72.53 H new ATOM 0 HA ASP A 36 -2.278 -14.436 -38.833 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -2.403 -13.134 -36.794 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -3.984 -13.781 -36.403 1.00 41.52 H new ATOM 560 N ASN A 37 -5.234 -15.764 -38.219 1.00 14.32 N ATOM 561 CA ASN A 37 -6.002 -17.002 -38.294 1.00 4.12 C ATOM 562 C ASN A 37 -6.670 -17.145 -39.657 1.00 70.12 C ATOM 563 O ASN A 37 -7.033 -18.247 -40.070 1.00 4.34 O ATOM 564 CB ASN A 37 -7.059 -17.038 -37.188 1.00 22.42 C ATOM 565 CG ASN A 37 -7.439 -18.452 -36.798 1.00 54.21 C ATOM 566 OD1 ASN A 37 -6.928 -19.422 -37.359 1.00 50.32 O ATOM 567 ND2 ASN A 37 -8.340 -18.578 -35.830 1.00 64.23 N ATOM 0 H ASN A 37 -5.786 -14.939 -37.982 1.00 14.32 H new ATOM 0 HA ASN A 37 -5.314 -17.837 -38.157 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -6.682 -16.511 -36.311 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -7.949 -16.505 -37.522 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -8.634 -19.506 -35.524 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -8.738 -17.747 -35.392 1.00 64.23 H new ATOM 574 N GLY A 38 -6.830 -16.025 -40.354 1.00 34.21 N ATOM 575 CA GLY A 38 -7.453 -16.047 -41.664 1.00 32.44 C ATOM 576 C GLY A 38 -8.914 -16.446 -41.603 1.00 73.32 C ATOM 577 O GLY A 38 -9.459 -16.986 -42.567 1.00 21.11 O ATOM 0 H GLY A 38 -6.539 -15.101 -40.034 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -7.367 -15.061 -42.121 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -6.916 -16.744 -42.307 1.00 32.44 H new ATOM 581 N LEU A 39 -9.552 -16.180 -40.469 1.00 30.05 N ATOM 582 CA LEU A 39 -10.959 -16.516 -40.284 1.00 63.52 C ATOM 583 C LEU A 39 -11.810 -15.254 -40.166 1.00 44.43 C ATOM 584 O LEU A 39 -11.499 -14.355 -39.385 1.00 45.03 O ATOM 585 CB LEU A 39 -11.138 -17.384 -39.038 1.00 73.54 C ATOM 586 CG LEU A 39 -12.313 -18.363 -39.065 1.00 71.34 C ATOM 587 CD1 LEU A 39 -13.628 -17.614 -39.208 1.00 33.32 C ATOM 588 CD2 LEU A 39 -12.143 -19.368 -40.194 1.00 1.14 C ATOM 0 H LEU A 39 -9.117 -15.732 -39.663 1.00 30.05 H new ATOM 0 HA LEU A 39 -11.291 -17.075 -41.159 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -10.221 -17.952 -38.881 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -11.258 -16.727 -38.176 1.00 73.54 H new ATOM 0 HG LEU A 39 -12.330 -18.907 -38.121 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -14.453 -18.327 -39.225 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -13.753 -16.935 -38.365 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -13.622 -17.043 -40.136 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -12.988 -20.057 -40.198 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -12.100 -18.841 -41.147 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -11.219 -19.928 -40.047 1.00 1.14 H new ATOM 600 N ASP A 40 -12.883 -15.197 -40.946 1.00 23.32 N ATOM 601 CA ASP A 40 -13.781 -14.047 -40.927 1.00 31.44 C ATOM 602 C ASP A 40 -15.026 -14.343 -40.098 1.00 11.13 C ATOM 603 O ASP A 40 -16.127 -14.468 -40.634 1.00 74.43 O ATOM 604 CB ASP A 40 -14.182 -13.662 -42.351 1.00 2.00 C ATOM 605 CG ASP A 40 -14.661 -14.851 -43.160 1.00 43.15 C ATOM 606 OD1 ASP A 40 -15.881 -14.946 -43.409 1.00 34.04 O ATOM 607 OD2 ASP A 40 -13.816 -15.687 -43.543 1.00 1.34 O1- ATOM 0 H ASP A 40 -13.153 -15.933 -41.599 1.00 23.32 H new ATOM 0 HA ASP A 40 -13.251 -13.212 -40.469 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -14.971 -12.911 -42.312 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -13.330 -13.204 -42.854 1.00 2.00 H new ATOM 612 N GLY A 41 -14.844 -14.459 -38.785 1.00 53.44 N ATOM 613 CA GLY A 41 -15.962 -14.741 -37.903 1.00 32.20 C ATOM 614 C GLY A 41 -16.774 -13.502 -37.581 1.00 70.31 C ATOM 615 O GLY A 41 -16.350 -12.384 -37.866 1.00 4.21 O ATOM 0 H GLY A 41 -13.943 -14.363 -38.317 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -16.609 -15.485 -38.368 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -15.589 -15.178 -36.977 1.00 32.20 H new ATOM 619 N GLU A 42 -17.947 -13.704 -36.988 1.00 72.22 N ATOM 620 CA GLU A 42 -18.821 -12.593 -36.630 1.00 62.11 C ATOM 621 C GLU A 42 -18.682 -12.246 -35.151 1.00 0.55 C ATOM 622 O GLU A 42 -19.093 -13.014 -34.281 1.00 35.52 O ATOM 623 CB GLU A 42 -20.277 -12.939 -36.949 1.00 52.01 C ATOM 624 CG GLU A 42 -20.516 -13.276 -38.412 1.00 63.13 C ATOM 625 CD GLU A 42 -20.212 -12.113 -39.337 1.00 44.24 C ATOM 626 OE1 GLU A 42 -21.108 -11.267 -39.540 1.00 70.21 O ATOM 627 OE2 GLU A 42 -19.078 -12.048 -39.856 1.00 43.43 O1- ATOM 0 H GLU A 42 -18.313 -14.625 -36.746 1.00 72.22 H new ATOM 0 HA GLU A 42 -18.523 -11.725 -37.218 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -20.583 -13.786 -36.335 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -20.911 -12.097 -36.670 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -19.896 -14.128 -38.690 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -21.554 -13.580 -38.546 1.00 63.13 H new ATOM 634 N TRP A 43 -18.100 -11.085 -34.875 1.00 51.13 N ATOM 635 CA TRP A 43 -17.906 -10.635 -33.501 1.00 55.51 C ATOM 636 C TRP A 43 -19.169 -9.973 -32.960 1.00 4.43 C ATOM 637 O TRP A 43 -19.864 -9.257 -33.682 1.00 30.20 O ATOM 638 CB TRP A 43 -16.730 -9.659 -33.423 1.00 40.54 C ATOM 639 CG TRP A 43 -15.436 -10.317 -33.051 1.00 12.12 C ATOM 640 CD1 TRP A 43 -14.744 -10.164 -31.884 1.00 3.53 C ATOM 641 CD2 TRP A 43 -14.678 -11.229 -33.852 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.602 -10.926 -31.910 1.00 21.33 N ATOM 643 CE2 TRP A 43 -13.539 -11.590 -33.107 1.00 10.54 C ATOM 644 CE3 TRP A 43 -14.851 -11.779 -35.125 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -12.579 -12.473 -33.594 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -13.899 -12.655 -35.608 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.774 -12.996 -34.844 1.00 0.13 C ATOM 0 H TRP A 43 -17.754 -10.438 -35.584 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.686 -11.509 -32.887 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -16.614 -9.164 -34.387 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -16.958 -8.884 -32.692 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -15.050 -9.536 -31.061 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -12.913 -10.988 -31.160 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -15.715 -11.523 -35.721 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.712 -12.736 -33.007 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -14.023 -13.085 -36.591 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -12.047 -13.684 -35.249 1.00 0.13 H new ATOM 658 N THR A 44 -19.462 -10.217 -31.687 1.00 11.45 N ATOM 659 CA THR A 44 -20.641 -9.645 -31.050 1.00 25.43 C ATOM 660 C THR A 44 -20.285 -8.983 -29.724 1.00 41.45 C ATOM 661 O THR A 44 -19.273 -9.314 -29.107 1.00 0.05 O ATOM 662 CB THR A 44 -21.721 -10.715 -30.802 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.627 -11.745 -31.795 1.00 73.22 O ATOM 664 CG2 THR A 44 -23.111 -10.100 -30.833 1.00 21.42 C ATOM 0 H THR A 44 -18.898 -10.808 -31.076 1.00 11.45 H new ATOM 0 HA THR A 44 -21.034 -8.893 -31.734 1.00 25.43 H new ATOM 0 HB THR A 44 -21.554 -11.145 -29.815 1.00 41.34 H new ATOM 0 HG1 THR A 44 -20.923 -12.378 -31.544 1.00 73.22 H new ATOM 0 HG21 THR A 44 -23.856 -10.876 -30.655 1.00 21.42 H new ATOM 0 HG22 THR A 44 -23.189 -9.338 -30.058 1.00 21.42 H new ATOM 0 HG23 THR A 44 -23.286 -9.645 -31.808 1.00 21.42 H new ATOM 672 N TYR A 45 -21.123 -8.047 -29.292 1.00 33.31 N ATOM 673 CA TYR A 45 -20.894 -7.337 -28.040 1.00 15.32 C ATOM 674 C TYR A 45 -21.942 -7.719 -26.998 1.00 4.44 C ATOM 675 O TYR A 45 -23.075 -7.242 -27.037 1.00 1.35 O ATOM 676 CB TYR A 45 -20.921 -5.826 -28.273 1.00 33.44 C ATOM 677 CG TYR A 45 -20.629 -5.015 -27.031 1.00 21.31 C ATOM 678 CD1 TYR A 45 -21.445 -3.950 -26.665 1.00 21.15 C ATOM 679 CD2 TYR A 45 -19.540 -5.312 -26.222 1.00 22.51 C ATOM 680 CE1 TYR A 45 -21.183 -3.207 -25.531 1.00 30.52 C ATOM 681 CE2 TYR A 45 -19.271 -4.575 -25.085 1.00 23.44 C ATOM 682 CZ TYR A 45 -20.095 -3.523 -24.744 1.00 60.14 C ATOM 683 OH TYR A 45 -19.829 -2.786 -23.613 1.00 31.25 O ATOM 0 H TYR A 45 -21.966 -7.763 -29.790 1.00 33.31 H new ATOM 0 HA TYR A 45 -19.911 -7.623 -27.665 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -20.191 -5.573 -29.042 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -21.901 -5.544 -28.658 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -22.298 -3.700 -27.278 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -18.892 -6.134 -26.487 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -21.827 -2.383 -25.262 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -18.420 -4.821 -24.467 1.00 23.44 H new ATOM 0 HH TYR A 45 -20.657 -2.373 -23.290 1.00 31.25 H new ATOM 693 N ASP A 46 -21.552 -8.583 -26.067 1.00 20.13 N ATOM 694 CA ASP A 46 -22.455 -9.030 -25.013 1.00 54.12 C ATOM 695 C ASP A 46 -22.264 -8.201 -23.747 1.00 74.42 C ATOM 696 O ASP A 46 -21.670 -8.663 -22.773 1.00 23.32 O ATOM 697 CB ASP A 46 -22.224 -10.511 -24.707 1.00 21.25 C ATOM 698 CG ASP A 46 -22.037 -11.339 -25.963 1.00 71.31 C ATOM 699 OD1 ASP A 46 -22.958 -12.107 -26.311 1.00 23.42 O ATOM 700 OD2 ASP A 46 -20.968 -11.218 -26.599 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.617 -8.988 -26.021 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.478 -8.895 -25.364 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.344 -10.615 -24.072 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.072 -10.899 -24.142 1.00 21.25 H new ATOM 705 N ASP A 47 -22.773 -6.973 -23.767 1.00 54.10 N ATOM 706 CA ASP A 47 -22.659 -6.078 -22.622 1.00 22.40 C ATOM 707 C ASP A 47 -23.262 -6.715 -21.373 1.00 60.53 C ATOM 708 O ASP A 47 -22.899 -6.368 -20.250 1.00 15.12 O ATOM 709 CB ASP A 47 -23.351 -4.747 -22.916 1.00 42.04 C ATOM 710 CG ASP A 47 -22.733 -3.592 -22.154 1.00 23.55 C ATOM 711 OD1 ASP A 47 -22.750 -2.458 -22.676 1.00 10.12 O ATOM 712 OD2 ASP A 47 -22.232 -3.821 -21.033 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.269 -6.575 -24.565 1.00 54.10 H new ATOM 0 HA ASP A 47 -21.600 -5.894 -22.440 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -23.299 -4.542 -23.985 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -24.407 -4.825 -22.658 1.00 42.04 H new ATOM 717 N ALA A 48 -24.186 -7.648 -21.579 1.00 73.25 N ATOM 718 CA ALA A 48 -24.839 -8.333 -20.471 1.00 64.12 C ATOM 719 C ALA A 48 -23.814 -8.902 -19.495 1.00 44.51 C ATOM 720 O ALA A 48 -24.033 -8.911 -18.284 1.00 30.41 O ATOM 721 CB ALA A 48 -25.743 -9.441 -20.994 1.00 73.11 C ATOM 0 H ALA A 48 -24.499 -7.946 -22.503 1.00 73.25 H new ATOM 0 HA ALA A 48 -25.447 -7.604 -19.935 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.224 -9.944 -20.155 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -26.505 -9.012 -21.645 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.148 -10.161 -21.556 1.00 73.11 H new ATOM 727 N THR A 49 -22.694 -9.375 -20.031 1.00 51.14 N ATOM 728 CA THR A 49 -21.635 -9.947 -19.208 1.00 43.22 C ATOM 729 C THR A 49 -20.275 -9.364 -19.579 1.00 20.11 C ATOM 730 O THR A 49 -19.234 -9.915 -19.221 1.00 63.41 O ATOM 731 CB THR A 49 -21.579 -11.480 -19.348 1.00 2.41 C ATOM 732 OG1 THR A 49 -21.210 -11.836 -20.686 1.00 44.13 O ATOM 733 CG2 THR A 49 -22.923 -12.103 -19.005 1.00 1.21 C ATOM 0 H THR A 49 -22.496 -9.374 -21.032 1.00 51.14 H new ATOM 0 HA THR A 49 -21.867 -9.693 -18.174 1.00 43.22 H new ATOM 0 HB THR A 49 -20.832 -11.860 -18.652 1.00 2.41 H new ATOM 0 HG1 THR A 49 -21.175 -12.812 -20.767 1.00 44.13 H new ATOM 0 HG21 THR A 49 -22.860 -13.186 -19.111 1.00 1.21 H new ATOM 0 HG22 THR A 49 -23.188 -11.854 -17.977 1.00 1.21 H new ATOM 0 HG23 THR A 49 -23.686 -11.716 -19.680 1.00 1.21 H new ATOM 741 N LYS A 50 -20.292 -8.247 -20.297 1.00 43.34 N ATOM 742 CA LYS A 50 -19.060 -7.588 -20.716 1.00 34.34 C ATOM 743 C LYS A 50 -18.122 -8.573 -21.406 1.00 15.35 C ATOM 744 O LYS A 50 -16.948 -8.684 -21.049 1.00 61.42 O ATOM 745 CB LYS A 50 -18.359 -6.959 -19.509 1.00 73.32 C ATOM 746 CG LYS A 50 -19.134 -5.810 -18.887 1.00 51.01 C ATOM 747 CD LYS A 50 -20.212 -6.311 -17.942 1.00 73.55 C ATOM 748 CE LYS A 50 -20.691 -5.211 -17.008 1.00 40.03 C ATOM 749 NZ LYS A 50 -21.986 -5.558 -16.361 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.145 -7.778 -20.601 1.00 43.34 H new ATOM 0 HA LYS A 50 -19.321 -6.804 -21.427 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -18.195 -7.727 -18.753 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -17.377 -6.600 -19.816 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -18.448 -5.159 -18.345 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -19.590 -5.209 -19.674 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -21.055 -6.692 -18.519 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -19.825 -7.144 -17.356 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -19.938 -5.033 -16.240 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -20.802 -4.282 -17.568 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -22.279 -4.783 -15.732 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -22.711 -5.703 -17.092 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -21.874 -6.430 -15.806 1.00 63.54 H new ATOM 763 N THR A 51 -18.646 -9.289 -22.396 1.00 24.34 N ATOM 764 CA THR A 51 -17.856 -10.265 -23.135 1.00 44.02 C ATOM 765 C THR A 51 -18.189 -10.229 -24.622 1.00 73.53 C ATOM 766 O THR A 51 -19.328 -9.966 -25.007 1.00 14.21 O ATOM 767 CB THR A 51 -18.087 -11.692 -22.603 1.00 41.02 C ATOM 768 OG1 THR A 51 -17.806 -11.744 -21.201 1.00 32.22 O ATOM 769 CG2 THR A 51 -17.208 -12.692 -23.340 1.00 71.14 C ATOM 0 H THR A 51 -19.615 -9.211 -22.704 1.00 24.34 H new ATOM 0 HA THR A 51 -16.809 -9.997 -22.994 1.00 44.02 H new ATOM 0 HB THR A 51 -19.131 -11.955 -22.773 1.00 41.02 H new ATOM 0 HG1 THR A 51 -18.445 -11.179 -20.718 1.00 32.22 H new ATOM 0 HG21 THR A 51 -17.388 -13.693 -22.948 1.00 71.14 H new ATOM 0 HG22 THR A 51 -17.446 -12.671 -24.404 1.00 71.14 H new ATOM 0 HG23 THR A 51 -16.160 -12.429 -23.197 1.00 71.14 H new ATOM 777 N PHE A 52 -17.188 -10.495 -25.454 1.00 5.23 N ATOM 778 CA PHE A 52 -17.374 -10.493 -26.901 1.00 4.32 C ATOM 779 C PHE A 52 -17.585 -11.910 -27.424 1.00 0.13 C ATOM 780 O PHE A 52 -16.692 -12.754 -27.345 1.00 73.45 O ATOM 781 CB PHE A 52 -16.166 -9.856 -27.591 1.00 11.55 C ATOM 782 CG PHE A 52 -15.855 -8.471 -27.099 1.00 52.41 C ATOM 783 CD1 PHE A 52 -14.781 -8.248 -26.252 1.00 44.43 C ATOM 784 CD2 PHE A 52 -16.637 -7.394 -27.482 1.00 61.32 C ATOM 785 CE1 PHE A 52 -14.492 -6.975 -25.798 1.00 54.10 C ATOM 786 CE2 PHE A 52 -16.353 -6.119 -27.031 1.00 14.44 C ATOM 787 CZ PHE A 52 -15.279 -5.909 -26.188 1.00 65.43 C ATOM 0 H PHE A 52 -16.239 -10.715 -25.151 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.264 -9.905 -27.127 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.294 -10.491 -27.438 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.349 -9.819 -28.665 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -14.163 -9.078 -25.943 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -17.478 -7.552 -28.141 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -13.652 -6.814 -25.139 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -16.970 -5.287 -27.337 1.00 14.44 H new ATOM 0 HZ PHE A 52 -15.055 -4.913 -25.835 1.00 65.43 H new ATOM 797 N THR A 53 -18.775 -12.167 -27.959 1.00 65.24 N ATOM 798 CA THR A 53 -19.106 -13.481 -28.494 1.00 62.11 C ATOM 799 C THR A 53 -18.845 -13.545 -29.995 1.00 71.13 C ATOM 800 O THR A 53 -19.455 -12.811 -30.773 1.00 25.23 O ATOM 801 CB THR A 53 -20.578 -13.844 -28.224 1.00 22.10 C ATOM 802 OG1 THR A 53 -20.832 -13.842 -26.814 1.00 4.10 O ATOM 803 CG2 THR A 53 -20.914 -15.209 -28.804 1.00 73.15 C ATOM 0 H THR A 53 -19.526 -11.481 -28.033 1.00 65.24 H new ATOM 0 HA THR A 53 -18.464 -14.200 -27.985 1.00 62.11 H new ATOM 0 HB THR A 53 -21.208 -13.097 -28.707 1.00 22.10 H new ATOM 0 HG1 THR A 53 -21.766 -14.088 -26.650 1.00 4.10 H new ATOM 0 HG21 THR A 53 -21.959 -15.444 -28.601 1.00 73.15 H new ATOM 0 HG22 THR A 53 -20.748 -15.198 -29.881 1.00 73.15 H new ATOM 0 HG23 THR A 53 -20.277 -15.966 -28.346 1.00 73.15 H new ATOM 811 N VAL A 54 -17.937 -14.429 -30.396 1.00 32.13 N ATOM 812 CA VAL A 54 -17.598 -14.590 -31.805 1.00 13.12 C ATOM 813 C VAL A 54 -18.200 -15.870 -32.372 1.00 43.23 C ATOM 814 O VAL A 54 -17.845 -16.974 -31.956 1.00 33.41 O ATOM 815 CB VAL A 54 -16.072 -14.616 -32.016 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.737 -14.592 -33.499 1.00 5.33 C ATOM 817 CG2 VAL A 54 -15.415 -13.449 -31.293 1.00 23.13 C ATOM 0 H VAL A 54 -17.423 -15.044 -29.765 1.00 32.13 H new ATOM 0 HA VAL A 54 -18.015 -13.731 -32.331 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.680 -15.542 -31.595 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.655 -14.611 -33.628 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -16.176 -15.463 -33.985 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -16.140 -13.684 -33.948 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -14.337 -13.482 -31.452 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.810 -12.511 -31.682 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.626 -13.517 -30.226 1.00 23.13 H new ATOM 827 N THR A 55 -19.113 -15.716 -33.327 1.00 72.51 N ATOM 828 CA THR A 55 -19.765 -16.860 -33.951 1.00 13.41 C ATOM 829 C THR A 55 -19.516 -16.881 -35.455 1.00 72.34 C ATOM 830 O THR A 55 -20.136 -16.131 -36.207 1.00 31.15 O ATOM 831 CB THR A 55 -21.284 -16.850 -33.695 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.758 -15.500 -33.616 1.00 62.32 O ATOM 833 CG2 THR A 55 -21.621 -17.587 -32.408 1.00 41.24 C ATOM 0 H THR A 55 -19.417 -14.810 -33.684 1.00 72.51 H new ATOM 0 HA THR A 55 -19.334 -17.754 -33.500 1.00 13.41 H new ATOM 0 HB THR A 55 -21.774 -17.359 -34.525 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.725 -15.502 -33.455 1.00 62.32 H new ATOM 0 HG21 THR A 55 -22.699 -17.566 -32.249 1.00 41.24 H new ATOM 0 HG22 THR A 55 -21.285 -18.621 -32.482 1.00 41.24 H new ATOM 0 HG23 THR A 55 -21.121 -17.102 -31.570 1.00 41.24 H new ATOM 841 N GLU A 56 -18.603 -17.747 -35.886 1.00 35.15 N ATOM 842 CA GLU A 56 -18.272 -17.865 -37.302 1.00 50.02 C ATOM 843 C GLU A 56 -19.509 -18.219 -38.122 1.00 33.31 C ATOM 844 O GLU A 56 -19.518 -18.073 -39.344 1.00 34.50 O ATOM 845 CB GLU A 56 -17.189 -18.927 -37.508 1.00 71.10 C ATOM 846 CG GLU A 56 -17.700 -20.351 -37.373 1.00 33.33 C ATOM 847 CD GLU A 56 -18.207 -20.660 -35.978 1.00 43.00 C ATOM 848 OE1 GLU A 56 -19.431 -20.544 -35.754 1.00 54.40 O ATOM 849 OE2 GLU A 56 -17.382 -21.016 -35.111 1.00 45.43 O1- ATOM 0 H GLU A 56 -18.080 -18.376 -35.276 1.00 35.15 H new ATOM 0 HA GLU A 56 -17.895 -16.901 -37.643 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -16.751 -18.800 -38.498 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -16.391 -18.766 -36.783 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -18.503 -20.514 -38.092 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -16.899 -21.046 -37.626 1.00 33.33 H new TER 856 GLU A 56