USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 425 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= 1.09 USER MOD Set 1.2: A 51 THR OG1 : rot 84:sc= 1.2 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0627 (180deg=-0.511) USER MOD Single : A 2 THR OG1 : rot 19:sc= 0.185 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00386 K(o=-0.0039,f=-1.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -0.188 (180deg=-1.19) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : A 17 THR OG1 : rot 81:sc= -1.17 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.407 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 45 TYR OH : rot 120:sc= -0.164 USER MOD Single : A 53 THR OG1 : rot 95:sc= 0.814 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.595 -2.421 -4.720 1.00 15.35 N ATOM 2 CA MET A 1 -13.532 -1.771 -5.629 1.00 64.15 C ATOM 3 C MET A 1 -12.832 -0.695 -6.453 1.00 23.20 C ATOM 4 O MET A 1 -12.390 0.323 -5.918 1.00 10.33 O ATOM 5 CB MET A 1 -14.692 -1.155 -4.844 1.00 30.42 C ATOM 6 CG MET A 1 -15.266 -2.079 -3.782 1.00 51.25 C ATOM 7 SD MET A 1 -15.880 -3.629 -4.469 1.00 5.34 S ATOM 8 CE MET A 1 -17.223 -3.991 -3.340 1.00 31.54 C ATOM 0 H1 MET A 1 -12.994 -3.326 -4.400 1.00 15.35 H new ATOM 0 H2 MET A 1 -11.696 -2.594 -5.213 1.00 15.35 H new ATOM 0 H3 MET A 1 -12.426 -1.807 -3.898 1.00 15.35 H new ATOM 0 HA MET A 1 -13.924 -2.527 -6.309 1.00 64.15 H new ATOM 0 HB2 MET A 1 -14.350 -0.236 -4.368 1.00 30.42 H new ATOM 0 HB3 MET A 1 -15.484 -0.878 -5.540 1.00 30.42 H new ATOM 0 HG2 MET A 1 -14.498 -2.294 -3.039 1.00 51.25 H new ATOM 0 HG3 MET A 1 -16.078 -1.569 -3.263 1.00 51.25 H new ATOM 0 HE1 MET A 1 -17.704 -4.924 -3.634 1.00 31.54 H new ATOM 0 HE2 MET A 1 -16.831 -4.088 -2.328 1.00 31.54 H new ATOM 0 HE3 MET A 1 -17.952 -3.182 -3.371 1.00 31.54 H new ATOM 18 N THR A 2 -12.735 -0.925 -7.759 1.00 31.03 N ATOM 19 CA THR A 2 -12.088 0.023 -8.656 1.00 51.24 C ATOM 20 C THR A 2 -13.107 0.709 -9.559 1.00 42.33 C ATOM 21 O THR A 2 -13.915 0.048 -10.213 1.00 23.34 O ATOM 22 CB THR A 2 -11.025 -0.667 -9.531 1.00 44.04 C ATOM 23 OG1 THR A 2 -11.658 -1.536 -10.477 1.00 33.43 O ATOM 24 CG2 THR A 2 -10.053 -1.464 -8.675 1.00 65.01 C ATOM 0 H THR A 2 -13.097 -1.761 -8.219 1.00 31.03 H new ATOM 0 HA THR A 2 -11.602 0.770 -8.029 1.00 51.24 H new ATOM 0 HB THR A 2 -10.468 0.104 -10.063 1.00 44.04 H new ATOM 0 HG1 THR A 2 -12.600 -1.283 -10.574 1.00 33.43 H new ATOM 0 HG21 THR A 2 -9.312 -1.942 -9.315 1.00 65.01 H new ATOM 0 HG22 THR A 2 -9.551 -0.795 -7.976 1.00 65.01 H new ATOM 0 HG23 THR A 2 -10.598 -2.227 -8.119 1.00 65.01 H new ATOM 32 N PHE A 3 -13.063 2.036 -9.593 1.00 14.21 N ATOM 33 CA PHE A 3 -13.983 2.811 -10.416 1.00 11.03 C ATOM 34 C PHE A 3 -13.283 3.338 -11.665 1.00 1.44 C ATOM 35 O PHE A 3 -12.061 3.484 -11.691 1.00 51.21 O ATOM 36 CB PHE A 3 -14.563 3.977 -9.613 1.00 63.43 C ATOM 37 CG PHE A 3 -15.774 3.605 -8.806 1.00 1.05 C ATOM 38 CD1 PHE A 3 -15.645 3.174 -7.496 1.00 40.25 C ATOM 39 CD2 PHE A 3 -17.043 3.687 -9.358 1.00 64.04 C ATOM 40 CE1 PHE A 3 -16.757 2.831 -6.750 1.00 60.15 C ATOM 41 CE2 PHE A 3 -18.159 3.346 -8.618 1.00 41.21 C ATOM 42 CZ PHE A 3 -18.016 2.917 -7.313 1.00 21.42 C ATOM 0 H PHE A 3 -12.399 2.598 -9.060 1.00 14.21 H new ATOM 0 HA PHE A 3 -14.795 2.153 -10.725 1.00 11.03 H new ATOM 0 HB2 PHE A 3 -13.795 4.364 -8.943 1.00 63.43 H new ATOM 0 HB3 PHE A 3 -14.826 4.784 -10.297 1.00 63.43 H new ATOM 0 HD1 PHE A 3 -14.663 3.105 -7.052 1.00 40.25 H new ATOM 0 HD2 PHE A 3 -17.161 4.021 -10.378 1.00 64.04 H new ATOM 0 HE1 PHE A 3 -16.642 2.497 -5.730 1.00 60.15 H new ATOM 0 HE2 PHE A 3 -19.142 3.415 -9.060 1.00 41.21 H new ATOM 0 HZ PHE A 3 -18.887 2.649 -6.733 1.00 21.42 H new ATOM 52 N LYS A 4 -14.067 3.622 -12.700 1.00 3.25 N ATOM 53 CA LYS A 4 -13.524 4.134 -13.953 1.00 54.54 C ATOM 54 C LYS A 4 -14.369 5.290 -14.480 1.00 41.11 C ATOM 55 O LYS A 4 -15.581 5.155 -14.658 1.00 61.11 O ATOM 56 CB LYS A 4 -13.459 3.018 -14.998 1.00 3.33 C ATOM 57 CG LYS A 4 -13.004 3.492 -16.368 1.00 44.53 C ATOM 58 CD LYS A 4 -13.129 2.393 -17.409 1.00 33.45 C ATOM 59 CE LYS A 4 -12.026 1.356 -17.259 1.00 60.12 C ATOM 60 NZ LYS A 4 -12.429 0.033 -17.810 1.00 34.34 N1+ ATOM 0 H LYS A 4 -15.080 3.506 -12.696 1.00 3.25 H new ATOM 0 HA LYS A 4 -12.516 4.502 -13.760 1.00 54.54 H new ATOM 0 HB2 LYS A 4 -12.778 2.242 -14.647 1.00 3.33 H new ATOM 0 HB3 LYS A 4 -14.444 2.560 -15.090 1.00 3.33 H new ATOM 0 HG2 LYS A 4 -13.600 4.352 -16.673 1.00 44.53 H new ATOM 0 HG3 LYS A 4 -11.968 3.826 -16.313 1.00 44.53 H new ATOM 0 HD2 LYS A 4 -14.101 1.909 -17.314 1.00 33.45 H new ATOM 0 HD3 LYS A 4 -13.087 2.829 -18.407 1.00 33.45 H new ATOM 0 HE2 LYS A 4 -11.129 1.704 -17.770 1.00 60.12 H new ATOM 0 HE3 LYS A 4 -11.770 1.248 -16.205 1.00 60.12 H new ATOM 0 HZ1 LYS A 4 -11.650 -0.645 -17.688 1.00 34.34 H new ATOM 0 HZ2 LYS A 4 -13.270 -0.312 -17.305 1.00 34.34 H new ATOM 0 HZ3 LYS A 4 -12.648 0.131 -18.822 1.00 34.34 H new ATOM 74 N LEU A 5 -13.723 6.423 -14.730 1.00 1.44 N ATOM 75 CA LEU A 5 -14.416 7.602 -15.238 1.00 1.13 C ATOM 76 C LEU A 5 -14.195 7.758 -16.740 1.00 71.35 C ATOM 77 O LEU A 5 -13.097 8.094 -17.184 1.00 1.22 O ATOM 78 CB LEU A 5 -13.933 8.856 -14.508 1.00 31.14 C ATOM 79 CG LEU A 5 -13.692 8.706 -13.005 1.00 44.21 C ATOM 80 CD1 LEU A 5 -12.275 8.222 -12.737 1.00 25.24 C ATOM 81 CD2 LEU A 5 -13.951 10.024 -12.289 1.00 23.24 C ATOM 0 H LEU A 5 -12.721 6.551 -14.589 1.00 1.44 H new ATOM 0 HA LEU A 5 -15.483 7.472 -15.057 1.00 1.13 H new ATOM 0 HB2 LEU A 5 -13.005 9.188 -14.973 1.00 31.14 H new ATOM 0 HB3 LEU A 5 -14.667 9.647 -14.661 1.00 31.14 H new ATOM 0 HG LEU A 5 -14.388 7.962 -12.618 1.00 44.21 H new ATOM 0 HD11 LEU A 5 -12.122 8.121 -11.662 1.00 25.24 H new ATOM 0 HD12 LEU A 5 -12.124 7.255 -13.217 1.00 25.24 H new ATOM 0 HD13 LEU A 5 -11.562 8.942 -13.139 1.00 25.24 H new ATOM 0 HD21 LEU A 5 -13.775 9.899 -11.221 1.00 23.24 H new ATOM 0 HD22 LEU A 5 -13.280 10.789 -12.680 1.00 23.24 H new ATOM 0 HD23 LEU A 5 -14.984 10.330 -12.453 1.00 23.24 H new ATOM 93 N ILE A 6 -15.245 7.513 -17.515 1.00 24.13 N ATOM 94 CA ILE A 6 -15.166 7.630 -18.966 1.00 62.22 C ATOM 95 C ILE A 6 -15.932 8.852 -19.462 1.00 53.35 C ATOM 96 O ILE A 6 -17.139 8.969 -19.248 1.00 75.11 O ATOM 97 CB ILE A 6 -15.721 6.373 -19.663 1.00 63.11 C ATOM 98 CG1 ILE A 6 -15.084 5.113 -19.072 1.00 32.15 C ATOM 99 CG2 ILE A 6 -15.472 6.445 -21.162 1.00 54.12 C ATOM 100 CD1 ILE A 6 -15.879 4.511 -17.935 1.00 20.03 C ATOM 0 H ILE A 6 -16.160 7.232 -17.163 1.00 24.13 H new ATOM 0 HA ILE A 6 -14.111 7.739 -19.217 1.00 62.22 H new ATOM 0 HB ILE A 6 -16.797 6.327 -19.495 1.00 63.11 H new ATOM 0 HG12 ILE A 6 -14.972 4.369 -19.860 1.00 32.15 H new ATOM 0 HG13 ILE A 6 -14.082 5.355 -18.716 1.00 32.15 H new ATOM 0 HG21 ILE A 6 -15.870 5.550 -21.640 1.00 54.12 H new ATOM 0 HG22 ILE A 6 -15.967 7.326 -21.571 1.00 54.12 H new ATOM 0 HG23 ILE A 6 -14.400 6.511 -21.350 1.00 54.12 H new ATOM 0 HD11 ILE A 6 -15.369 3.622 -17.565 1.00 20.03 H new ATOM 0 HD12 ILE A 6 -15.970 5.239 -17.129 1.00 20.03 H new ATOM 0 HD13 ILE A 6 -16.873 4.238 -18.290 1.00 20.03 H new ATOM 112 N ILE A 7 -15.223 9.758 -20.126 1.00 30.14 N ATOM 113 CA ILE A 7 -15.837 10.970 -20.655 1.00 34.51 C ATOM 114 C ILE A 7 -16.224 10.796 -22.120 1.00 52.33 C ATOM 115 O ILE A 7 -15.362 10.659 -22.988 1.00 72.34 O ATOM 116 CB ILE A 7 -14.895 12.181 -20.525 1.00 62.11 C ATOM 117 CG1 ILE A 7 -14.381 12.303 -19.089 1.00 32.31 C ATOM 118 CG2 ILE A 7 -15.610 13.456 -20.947 1.00 14.31 C ATOM 119 CD1 ILE A 7 -13.096 11.545 -18.841 1.00 75.32 C ATOM 0 H ILE A 7 -14.223 9.676 -20.311 1.00 30.14 H new ATOM 0 HA ILE A 7 -16.734 11.153 -20.064 1.00 34.51 H new ATOM 0 HB ILE A 7 -14.041 12.031 -21.185 1.00 62.11 H new ATOM 0 HG12 ILE A 7 -14.223 13.356 -18.857 1.00 32.31 H new ATOM 0 HG13 ILE A 7 -15.147 11.937 -18.405 1.00 32.31 H new ATOM 0 HG21 ILE A 7 -14.931 14.303 -20.850 1.00 14.31 H new ATOM 0 HG22 ILE A 7 -15.932 13.366 -21.985 1.00 14.31 H new ATOM 0 HG23 ILE A 7 -16.480 13.613 -20.310 1.00 14.31 H new ATOM 0 HD11 ILE A 7 -12.791 11.676 -17.803 1.00 75.32 H new ATOM 0 HD12 ILE A 7 -13.254 10.485 -19.041 1.00 75.32 H new ATOM 0 HD13 ILE A 7 -12.316 11.926 -19.500 1.00 75.32 H new ATOM 131 N ASN A 8 -17.525 10.803 -22.387 1.00 40.13 N ATOM 132 CA ASN A 8 -18.027 10.648 -23.748 1.00 12.04 C ATOM 133 C ASN A 8 -18.353 12.004 -24.366 1.00 11.01 C ATOM 134 O ASN A 8 -19.498 12.451 -24.339 1.00 0.32 O ATOM 135 CB ASN A 8 -19.272 9.759 -23.756 1.00 61.05 C ATOM 136 CG ASN A 8 -19.489 9.079 -25.094 1.00 42.52 C ATOM 137 OD1 ASN A 8 -19.138 9.621 -26.142 1.00 24.41 O ATOM 138 ND2 ASN A 8 -20.070 7.885 -25.064 1.00 64.13 N ATOM 0 H ASN A 8 -18.251 10.914 -21.680 1.00 40.13 H new ATOM 0 HA ASN A 8 -17.247 10.175 -24.345 1.00 12.04 H new ATOM 0 HB2 ASN A 8 -19.179 9.002 -22.978 1.00 61.05 H new ATOM 0 HB3 ASN A 8 -20.147 10.362 -23.512 1.00 61.05 H new ATOM 0 HD21 ASN A 8 -20.242 7.379 -25.933 1.00 64.13 H new ATOM 0 HD22 ASN A 8 -20.345 7.474 -24.172 1.00 64.13 H new ATOM 145 N GLY A 9 -17.335 12.653 -24.925 1.00 55.13 N ATOM 146 CA GLY A 9 -17.534 13.951 -25.542 1.00 54.33 C ATOM 147 C GLY A 9 -16.392 14.336 -26.462 1.00 12.13 C ATOM 148 O GLY A 9 -15.226 14.087 -26.155 1.00 31.02 O ATOM 0 H GLY A 9 -16.378 12.303 -24.961 1.00 55.13 H new ATOM 0 HA2 GLY A 9 -18.465 13.942 -26.108 1.00 54.33 H new ATOM 0 HA3 GLY A 9 -17.641 14.707 -24.764 1.00 54.33 H new ATOM 152 N LYS A 10 -16.726 14.945 -27.594 1.00 45.12 N ATOM 153 CA LYS A 10 -15.720 15.366 -28.563 1.00 44.22 C ATOM 154 C LYS A 10 -14.771 16.392 -27.951 1.00 23.05 C ATOM 155 O LYS A 10 -13.612 16.499 -28.354 1.00 25.41 O ATOM 156 CB LYS A 10 -16.393 15.954 -29.805 1.00 31.12 C ATOM 157 CG LYS A 10 -15.571 15.800 -31.073 1.00 10.22 C ATOM 158 CD LYS A 10 -16.455 15.760 -32.309 1.00 41.21 C ATOM 159 CE LYS A 10 -17.091 14.391 -32.496 1.00 15.11 C ATOM 160 NZ LYS A 10 -18.293 14.454 -33.372 1.00 12.24 N1+ ATOM 0 H LYS A 10 -17.686 15.159 -27.864 1.00 45.12 H new ATOM 0 HA LYS A 10 -15.141 14.489 -28.853 1.00 44.22 H new ATOM 0 HB2 LYS A 10 -17.359 15.470 -29.948 1.00 31.12 H new ATOM 0 HB3 LYS A 10 -16.588 17.013 -29.635 1.00 31.12 H new ATOM 0 HG2 LYS A 10 -14.867 16.628 -31.154 1.00 10.22 H new ATOM 0 HG3 LYS A 10 -14.981 14.885 -31.017 1.00 10.22 H new ATOM 0 HD2 LYS A 10 -17.235 16.516 -32.224 1.00 41.21 H new ATOM 0 HD3 LYS A 10 -15.863 16.011 -33.189 1.00 41.21 H new ATOM 0 HE2 LYS A 10 -16.361 13.707 -32.929 1.00 15.11 H new ATOM 0 HE3 LYS A 10 -17.371 13.984 -31.524 1.00 15.11 H new ATOM 0 HZ1 LYS A 10 -18.698 13.502 -33.475 1.00 12.24 H new ATOM 0 HZ2 LYS A 10 -19.000 15.087 -32.946 1.00 12.24 H new ATOM 0 HZ3 LYS A 10 -18.022 14.818 -34.308 1.00 12.24 H new ATOM 174 N THR A 11 -15.270 17.145 -26.976 1.00 4.01 N ATOM 175 CA THR A 11 -14.467 18.162 -26.309 1.00 71.41 C ATOM 176 C THR A 11 -13.338 17.530 -25.503 1.00 70.40 C ATOM 177 O THR A 11 -12.184 17.950 -25.596 1.00 41.44 O ATOM 178 CB THR A 11 -15.327 19.032 -25.372 1.00 75.24 C ATOM 179 OG1 THR A 11 -15.812 18.243 -24.279 1.00 62.30 O ATOM 180 CG2 THR A 11 -16.501 19.640 -26.124 1.00 75.13 C ATOM 0 H THR A 11 -16.227 17.070 -26.631 1.00 4.01 H new ATOM 0 HA THR A 11 -14.043 18.792 -27.091 1.00 71.41 H new ATOM 0 HB THR A 11 -14.704 19.840 -24.989 1.00 75.24 H new ATOM 0 HG1 THR A 11 -16.356 18.803 -23.687 1.00 62.30 H new ATOM 0 HG21 THR A 11 -17.093 20.250 -25.442 1.00 75.13 H new ATOM 0 HG22 THR A 11 -16.129 20.263 -26.937 1.00 75.13 H new ATOM 0 HG23 THR A 11 -17.123 18.844 -26.532 1.00 75.13 H new ATOM 188 N LEU A 12 -13.677 16.518 -24.711 1.00 10.53 N ATOM 189 CA LEU A 12 -12.691 15.827 -23.889 1.00 24.45 C ATOM 190 C LEU A 12 -12.837 14.314 -24.019 1.00 20.43 C ATOM 191 O LEU A 12 -13.929 13.769 -23.854 1.00 60.15 O ATOM 192 CB LEU A 12 -12.839 16.241 -22.424 1.00 64.24 C ATOM 193 CG LEU A 12 -11.600 16.059 -21.546 1.00 74.53 C ATOM 194 CD1 LEU A 12 -11.728 16.873 -20.268 1.00 13.05 C ATOM 195 CD2 LEU A 12 -11.385 14.588 -21.224 1.00 70.04 C ATOM 0 H LEU A 12 -14.627 16.158 -24.621 1.00 10.53 H new ATOM 0 HA LEU A 12 -11.699 16.109 -24.242 1.00 24.45 H new ATOM 0 HB2 LEU A 12 -13.131 17.291 -22.392 1.00 64.24 H new ATOM 0 HB3 LEU A 12 -13.657 15.669 -21.986 1.00 64.24 H new ATOM 0 HG LEU A 12 -10.732 16.420 -22.097 1.00 74.53 H new ATOM 0 HD11 LEU A 12 -10.837 16.731 -19.656 1.00 13.05 H new ATOM 0 HD12 LEU A 12 -11.832 17.929 -20.518 1.00 13.05 H new ATOM 0 HD13 LEU A 12 -12.606 16.543 -19.713 1.00 13.05 H new ATOM 0 HD21 LEU A 12 -10.499 14.478 -20.599 1.00 70.04 H new ATOM 0 HD22 LEU A 12 -12.254 14.201 -20.693 1.00 70.04 H new ATOM 0 HD23 LEU A 12 -11.247 14.029 -22.150 1.00 70.04 H new ATOM 207 N LYS A 13 -11.730 13.641 -24.313 1.00 54.31 N ATOM 208 CA LYS A 13 -11.733 12.190 -24.461 1.00 1.32 C ATOM 209 C LYS A 13 -10.628 11.555 -23.624 1.00 1.23 C ATOM 210 O LYS A 13 -9.452 11.613 -23.983 1.00 52.21 O ATOM 211 CB LYS A 13 -11.557 11.807 -25.933 1.00 51.43 C ATOM 212 CG LYS A 13 -12.857 11.795 -26.718 1.00 3.42 C ATOM 213 CD LYS A 13 -13.571 10.459 -26.593 1.00 73.01 C ATOM 214 CE LYS A 13 -13.090 9.470 -27.644 1.00 63.41 C ATOM 215 NZ LYS A 13 -11.925 8.675 -27.165 1.00 44.44 N1+ ATOM 0 H LYS A 13 -10.819 14.077 -24.454 1.00 54.31 H new ATOM 0 HA LYS A 13 -12.693 11.816 -24.106 1.00 1.32 H new ATOM 0 HB2 LYS A 13 -10.866 12.507 -26.402 1.00 51.43 H new ATOM 0 HB3 LYS A 13 -11.098 10.820 -25.991 1.00 51.43 H new ATOM 0 HG2 LYS A 13 -13.508 12.592 -26.358 1.00 3.42 H new ATOM 0 HG3 LYS A 13 -12.651 12.002 -27.768 1.00 3.42 H new ATOM 0 HD2 LYS A 13 -13.401 10.046 -25.599 1.00 73.01 H new ATOM 0 HD3 LYS A 13 -14.646 10.608 -26.697 1.00 73.01 H new ATOM 0 HE2 LYS A 13 -13.905 8.797 -27.909 1.00 63.41 H new ATOM 0 HE3 LYS A 13 -12.814 10.009 -28.550 1.00 63.41 H new ATOM 0 HZ1 LYS A 13 -11.936 7.738 -27.615 1.00 44.44 H new ATOM 0 HZ2 LYS A 13 -11.043 9.168 -27.412 1.00 44.44 H new ATOM 0 HZ3 LYS A 13 -11.982 8.564 -26.133 1.00 44.44 H new ATOM 229 N GLY A 14 -11.013 10.948 -22.506 1.00 54.42 N ATOM 230 CA GLY A 14 -10.042 10.310 -21.636 1.00 2.12 C ATOM 231 C GLY A 14 -10.635 9.153 -20.856 1.00 75.42 C ATOM 232 O GLY A 14 -11.842 8.919 -20.902 1.00 63.11 O ATOM 0 H GLY A 14 -11.980 10.887 -22.187 1.00 54.42 H new ATOM 0 HA2 GLY A 14 -9.204 9.950 -22.234 1.00 2.12 H new ATOM 0 HA3 GLY A 14 -9.643 11.047 -20.939 1.00 2.12 H new ATOM 236 N GLU A 15 -9.784 8.427 -20.139 1.00 72.23 N ATOM 237 CA GLU A 15 -10.231 7.286 -19.348 1.00 3.51 C ATOM 238 C GLU A 15 -9.203 6.929 -18.278 1.00 1.22 C ATOM 239 O GLU A 15 -8.011 6.805 -18.562 1.00 65.14 O ATOM 240 CB GLU A 15 -10.483 6.078 -20.252 1.00 14.14 C ATOM 241 CG GLU A 15 -10.879 4.822 -19.493 1.00 35.14 C ATOM 242 CD GLU A 15 -9.682 3.991 -19.076 1.00 55.32 C ATOM 243 OE1 GLU A 15 -9.588 3.646 -17.879 1.00 22.32 O ATOM 244 OE2 GLU A 15 -8.838 3.686 -19.945 1.00 15.31 O1- ATOM 0 H GLU A 15 -8.781 8.608 -20.089 1.00 72.23 H new ATOM 0 HA GLU A 15 -11.163 7.562 -18.854 1.00 3.51 H new ATOM 0 HB2 GLU A 15 -11.270 6.326 -20.964 1.00 14.14 H new ATOM 0 HB3 GLU A 15 -9.582 5.874 -20.831 1.00 14.14 H new ATOM 0 HG2 GLU A 15 -11.449 5.102 -18.607 1.00 35.14 H new ATOM 0 HG3 GLU A 15 -11.537 4.217 -20.117 1.00 35.14 H new ATOM 251 N THR A 16 -9.673 6.765 -17.045 1.00 21.54 N ATOM 252 CA THR A 16 -8.796 6.425 -15.932 1.00 1.20 C ATOM 253 C THR A 16 -9.456 5.412 -15.002 1.00 52.23 C ATOM 254 O THR A 16 -10.675 5.235 -15.024 1.00 32.01 O ATOM 255 CB THR A 16 -8.409 7.674 -15.119 1.00 21.41 C ATOM 256 OG1 THR A 16 -9.550 8.172 -14.411 1.00 33.41 O ATOM 257 CG2 THR A 16 -7.857 8.762 -16.028 1.00 3.32 C ATOM 0 H THR A 16 -10.656 6.862 -16.792 1.00 21.54 H new ATOM 0 HA THR A 16 -7.895 5.987 -16.362 1.00 1.20 H new ATOM 0 HB THR A 16 -7.635 7.390 -14.406 1.00 21.41 H new ATOM 0 HG1 THR A 16 -9.294 8.965 -13.895 1.00 33.41 H new ATOM 0 HG21 THR A 16 -7.591 9.634 -15.431 1.00 3.32 H new ATOM 0 HG22 THR A 16 -6.971 8.391 -16.543 1.00 3.32 H new ATOM 0 HG23 THR A 16 -8.613 9.042 -16.762 1.00 3.32 H new ATOM 265 N THR A 17 -8.644 4.749 -14.185 1.00 42.53 N ATOM 266 CA THR A 17 -9.149 3.754 -13.248 1.00 1.45 C ATOM 267 C THR A 17 -8.136 3.476 -12.142 1.00 74.25 C ATOM 268 O THR A 17 -6.929 3.457 -12.382 1.00 42.51 O ATOM 269 CB THR A 17 -9.488 2.431 -13.961 1.00 43.21 C ATOM 270 OG1 THR A 17 -10.124 2.701 -15.216 1.00 52.43 O ATOM 271 CG2 THR A 17 -10.399 1.570 -13.100 1.00 13.34 C ATOM 0 H THR A 17 -7.633 4.883 -14.153 1.00 42.53 H new ATOM 0 HA THR A 17 -10.058 4.166 -12.810 1.00 1.45 H new ATOM 0 HB THR A 17 -8.559 1.888 -14.134 1.00 43.21 H new ATOM 0 HG1 THR A 17 -9.443 2.912 -15.889 1.00 52.43 H new ATOM 0 HG21 THR A 17 -10.624 0.641 -13.624 1.00 13.34 H new ATOM 0 HG22 THR A 17 -9.901 1.343 -12.158 1.00 13.34 H new ATOM 0 HG23 THR A 17 -11.326 2.108 -12.900 1.00 13.34 H new ATOM 279 N THR A 18 -8.636 3.260 -10.929 1.00 40.42 N ATOM 280 CA THR A 18 -7.775 2.984 -9.786 1.00 72.45 C ATOM 281 C THR A 18 -8.581 2.452 -8.607 1.00 70.13 C ATOM 282 O THR A 18 -9.800 2.608 -8.557 1.00 43.25 O ATOM 283 CB THR A 18 -7.008 4.244 -9.343 1.00 73.30 C ATOM 284 OG1 THR A 18 -6.237 3.961 -8.170 1.00 32.51 O ATOM 285 CG2 THR A 18 -7.968 5.390 -9.061 1.00 71.22 C ATOM 0 H THR A 18 -9.633 3.271 -10.713 1.00 40.42 H new ATOM 0 HA THR A 18 -7.059 2.226 -10.105 1.00 72.45 H new ATOM 0 HB THR A 18 -6.341 4.540 -10.153 1.00 73.30 H new ATOM 0 HG1 THR A 18 -5.751 4.767 -7.896 1.00 32.51 H new ATOM 0 HG21 THR A 18 -7.404 6.269 -8.750 1.00 71.22 H new ATOM 0 HG22 THR A 18 -8.533 5.622 -9.964 1.00 71.22 H new ATOM 0 HG23 THR A 18 -8.656 5.101 -8.267 1.00 71.22 H new ATOM 293 N GLU A 19 -7.891 1.824 -7.660 1.00 13.01 N ATOM 294 CA GLU A 19 -8.545 1.269 -6.480 1.00 53.14 C ATOM 295 C GLU A 19 -8.428 2.222 -5.295 1.00 63.34 C ATOM 296 O GLU A 19 -7.520 3.050 -5.237 1.00 14.04 O ATOM 297 CB GLU A 19 -7.932 -0.087 -6.121 1.00 12.24 C ATOM 298 CG GLU A 19 -8.662 -0.806 -4.999 1.00 52.52 C ATOM 299 CD GLU A 19 -8.126 -2.203 -4.756 1.00 43.01 C ATOM 300 OE1 GLU A 19 -7.734 -2.867 -5.739 1.00 34.33 O ATOM 301 OE2 GLU A 19 -8.099 -2.634 -3.585 1.00 40.31 O1- ATOM 0 H GLU A 19 -6.881 1.687 -7.687 1.00 13.01 H new ATOM 0 HA GLU A 19 -9.601 1.133 -6.711 1.00 53.14 H new ATOM 0 HB2 GLU A 19 -7.930 -0.722 -7.007 1.00 12.24 H new ATOM 0 HB3 GLU A 19 -6.891 0.059 -5.831 1.00 12.24 H new ATOM 0 HG2 GLU A 19 -8.575 -0.223 -4.082 1.00 52.52 H new ATOM 0 HG3 GLU A 19 -9.723 -0.865 -5.240 1.00 52.52 H new ATOM 308 N ALA A 20 -9.355 2.099 -4.350 1.00 73.01 N ATOM 309 CA ALA A 20 -9.356 2.947 -3.165 1.00 24.33 C ATOM 310 C ALA A 20 -9.501 2.116 -1.895 1.00 50.12 C ATOM 311 O ALA A 20 -9.428 0.888 -1.933 1.00 0.24 O ATOM 312 CB ALA A 20 -10.473 3.977 -3.255 1.00 21.43 C ATOM 0 H ALA A 20 -10.115 1.420 -4.383 1.00 73.01 H new ATOM 0 HA ALA A 20 -8.399 3.467 -3.120 1.00 24.33 H new ATOM 0 HB1 ALA A 20 -10.462 4.604 -2.363 1.00 21.43 H new ATOM 0 HB2 ALA A 20 -10.324 4.599 -4.138 1.00 21.43 H new ATOM 0 HB3 ALA A 20 -11.433 3.467 -3.328 1.00 21.43 H new ATOM 318 N VAL A 21 -9.707 2.794 -0.770 1.00 62.00 N ATOM 319 CA VAL A 21 -9.862 2.118 0.512 1.00 60.23 C ATOM 320 C VAL A 21 -11.240 1.478 0.633 1.00 63.31 C ATOM 321 O VAL A 21 -11.391 0.411 1.229 1.00 62.31 O ATOM 322 CB VAL A 21 -9.656 3.091 1.688 1.00 33.45 C ATOM 323 CG1 VAL A 21 -8.234 3.632 1.691 1.00 12.12 C ATOM 324 CG2 VAL A 21 -10.666 4.226 1.624 1.00 32.32 C ATOM 0 H VAL A 21 -9.770 3.811 -0.721 1.00 62.00 H new ATOM 0 HA VAL A 21 -9.099 1.341 0.554 1.00 60.23 H new ATOM 0 HB VAL A 21 -9.814 2.546 2.619 1.00 33.45 H new ATOM 0 HG11 VAL A 21 -8.107 4.318 2.529 1.00 12.12 H new ATOM 0 HG12 VAL A 21 -7.530 2.805 1.789 1.00 12.12 H new ATOM 0 HG13 VAL A 21 -8.044 4.161 0.757 1.00 12.12 H new ATOM 0 HG21 VAL A 21 -10.505 4.904 2.463 1.00 32.32 H new ATOM 0 HG22 VAL A 21 -10.542 4.771 0.688 1.00 32.32 H new ATOM 0 HG23 VAL A 21 -11.675 3.818 1.675 1.00 32.32 H new ATOM 334 N ASP A 22 -12.243 2.135 0.061 1.00 14.51 N ATOM 335 CA ASP A 22 -13.611 1.629 0.103 1.00 72.04 C ATOM 336 C ASP A 22 -14.388 2.064 -1.136 1.00 35.04 C ATOM 337 O ASP A 22 -14.022 3.030 -1.804 1.00 35.31 O ATOM 338 CB ASP A 22 -14.321 2.120 1.365 1.00 62.42 C ATOM 339 CG ASP A 22 -15.374 1.145 1.853 1.00 14.11 C ATOM 340 OD1 ASP A 22 -15.049 -0.050 2.010 1.00 44.22 O ATOM 341 OD2 ASP A 22 -16.523 1.578 2.079 1.00 52.14 O1- ATOM 0 H ASP A 22 -12.135 3.019 -0.437 1.00 14.51 H new ATOM 0 HA ASP A 22 -13.570 0.540 0.121 1.00 72.04 H new ATOM 0 HB2 ASP A 22 -13.585 2.280 2.153 1.00 62.42 H new ATOM 0 HB3 ASP A 22 -14.788 3.084 1.164 1.00 62.42 H new ATOM 346 N ALA A 23 -15.464 1.343 -1.436 1.00 2.12 N ATOM 347 CA ALA A 23 -16.294 1.654 -2.593 1.00 14.43 C ATOM 348 C ALA A 23 -16.889 3.054 -2.481 1.00 10.12 C ATOM 349 O ALA A 23 -16.772 3.863 -3.400 1.00 2.51 O ATOM 350 CB ALA A 23 -17.399 0.619 -2.744 1.00 21.14 C ATOM 0 H ALA A 23 -15.781 0.540 -0.893 1.00 2.12 H new ATOM 0 HA ALA A 23 -15.662 1.626 -3.481 1.00 14.43 H new ATOM 0 HB1 ALA A 23 -18.011 0.864 -3.612 1.00 21.14 H new ATOM 0 HB2 ALA A 23 -16.957 -0.368 -2.879 1.00 21.14 H new ATOM 0 HB3 ALA A 23 -18.022 0.619 -1.850 1.00 21.14 H new ATOM 356 N ALA A 24 -17.527 3.331 -1.349 1.00 41.32 N ATOM 357 CA ALA A 24 -18.139 4.634 -1.117 1.00 52.32 C ATOM 358 C ALA A 24 -17.081 5.725 -1.002 1.00 3.04 C ATOM 359 O ALA A 24 -17.291 6.857 -1.439 1.00 1.34 O ATOM 360 CB ALA A 24 -18.999 4.597 0.138 1.00 11.32 C ATOM 0 H ALA A 24 -17.634 2.671 -0.578 1.00 41.32 H new ATOM 0 HA ALA A 24 -18.773 4.867 -1.973 1.00 52.32 H new ATOM 0 HB1 ALA A 24 -19.450 5.576 0.299 1.00 11.32 H new ATOM 0 HB2 ALA A 24 -19.785 3.851 0.019 1.00 11.32 H new ATOM 0 HB3 ALA A 24 -18.379 4.337 0.996 1.00 11.32 H new ATOM 366 N THR A 25 -15.941 5.379 -0.412 1.00 70.42 N ATOM 367 CA THR A 25 -14.850 6.329 -0.238 1.00 34.03 C ATOM 368 C THR A 25 -14.341 6.833 -1.584 1.00 61.00 C ATOM 369 O THR A 25 -14.039 8.016 -1.741 1.00 73.14 O ATOM 370 CB THR A 25 -13.677 5.703 0.540 1.00 5.30 C ATOM 371 OG1 THR A 25 -14.127 5.248 1.821 1.00 15.25 O ATOM 372 CG2 THR A 25 -12.550 6.708 0.721 1.00 11.43 C ATOM 0 H THR A 25 -15.750 4.446 -0.046 1.00 70.42 H new ATOM 0 HA THR A 25 -15.249 7.167 0.334 1.00 34.03 H new ATOM 0 HB THR A 25 -13.299 4.857 -0.034 1.00 5.30 H new ATOM 0 HG1 THR A 25 -13.354 4.997 2.369 1.00 15.25 H new ATOM 0 HG21 THR A 25 -11.733 6.243 1.273 1.00 11.43 H new ATOM 0 HG22 THR A 25 -12.190 7.031 -0.256 1.00 11.43 H new ATOM 0 HG23 THR A 25 -12.918 7.571 1.276 1.00 11.43 H new ATOM 380 N ALA A 26 -14.247 5.928 -2.553 1.00 54.42 N ATOM 381 CA ALA A 26 -13.777 6.282 -3.886 1.00 12.11 C ATOM 382 C ALA A 26 -14.905 6.868 -4.729 1.00 53.12 C ATOM 383 O ALA A 26 -14.661 7.627 -5.666 1.00 31.01 O ATOM 384 CB ALA A 26 -13.179 5.064 -4.575 1.00 51.23 C ATOM 0 H ALA A 26 -14.490 4.944 -2.439 1.00 54.42 H new ATOM 0 HA ALA A 26 -13.004 7.043 -3.781 1.00 12.11 H new ATOM 0 HB1 ALA A 26 -12.832 5.343 -5.570 1.00 51.23 H new ATOM 0 HB2 ALA A 26 -12.339 4.690 -3.989 1.00 51.23 H new ATOM 0 HB3 ALA A 26 -13.937 4.285 -4.660 1.00 51.23 H new ATOM 390 N GLU A 27 -16.139 6.510 -4.388 1.00 73.04 N ATOM 391 CA GLU A 27 -17.304 7.000 -5.116 1.00 71.40 C ATOM 392 C GLU A 27 -17.509 8.492 -4.872 1.00 11.11 C ATOM 393 O GLU A 27 -17.902 9.232 -5.774 1.00 0.04 O ATOM 394 CB GLU A 27 -18.556 6.226 -4.698 1.00 72.31 C ATOM 395 CG GLU A 27 -19.846 6.815 -5.245 1.00 42.04 C ATOM 396 CD GLU A 27 -20.430 7.882 -4.338 1.00 71.33 C ATOM 397 OE1 GLU A 27 -21.014 8.852 -4.865 1.00 10.02 O ATOM 398 OE2 GLU A 27 -20.302 7.747 -3.104 1.00 20.54 O1- ATOM 0 H GLU A 27 -16.358 5.883 -3.613 1.00 73.04 H new ATOM 0 HA GLU A 27 -17.128 6.845 -6.180 1.00 71.40 H new ATOM 0 HB2 GLU A 27 -18.465 5.194 -5.037 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -18.611 6.200 -3.610 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -19.657 7.244 -6.229 1.00 42.04 H new ATOM 0 HG3 GLU A 27 -20.577 6.018 -5.380 1.00 42.04 H new ATOM 405 N LYS A 28 -17.242 8.927 -3.645 1.00 10.01 N ATOM 406 CA LYS A 28 -17.396 10.330 -3.280 1.00 10.25 C ATOM 407 C LYS A 28 -16.279 11.176 -3.885 1.00 55.23 C ATOM 408 O LYS A 28 -16.479 12.346 -4.210 1.00 23.34 O ATOM 409 CB LYS A 28 -17.400 10.485 -1.758 1.00 24.34 C ATOM 410 CG LYS A 28 -16.171 9.901 -1.084 1.00 52.51 C ATOM 411 CD LYS A 28 -16.198 10.128 0.419 1.00 61.24 C ATOM 412 CE LYS A 28 -14.794 10.168 1.002 1.00 2.13 C ATOM 413 NZ LYS A 28 -14.767 10.827 2.337 1.00 74.13 N1+ ATOM 0 H LYS A 28 -16.918 8.327 -2.886 1.00 10.01 H new ATOM 0 HA LYS A 28 -18.349 10.680 -3.677 1.00 10.25 H new ATOM 0 HB2 LYS A 28 -17.472 11.544 -1.509 1.00 24.34 H new ATOM 0 HB3 LYS A 28 -18.290 10.002 -1.354 1.00 24.34 H new ATOM 0 HG2 LYS A 28 -16.115 8.832 -1.290 1.00 52.51 H new ATOM 0 HG3 LYS A 28 -15.274 10.354 -1.505 1.00 52.51 H new ATOM 0 HD2 LYS A 28 -16.711 11.065 0.637 1.00 61.24 H new ATOM 0 HD3 LYS A 28 -16.769 9.333 0.898 1.00 61.24 H new ATOM 0 HE2 LYS A 28 -14.408 9.152 1.090 1.00 2.13 H new ATOM 0 HE3 LYS A 28 -14.132 10.702 0.320 1.00 2.13 H new ATOM 0 HZ1 LYS A 28 -13.793 10.834 2.701 1.00 74.13 H new ATOM 0 HZ2 LYS A 28 -15.111 11.804 2.249 1.00 74.13 H new ATOM 0 HZ3 LYS A 28 -15.378 10.303 2.995 1.00 74.13 H new ATOM 427 N VAL A 29 -15.103 10.575 -4.033 1.00 41.13 N ATOM 428 CA VAL A 29 -13.955 11.272 -4.601 1.00 14.40 C ATOM 429 C VAL A 29 -14.025 11.297 -6.124 1.00 73.51 C ATOM 430 O VAL A 29 -13.812 12.336 -6.749 1.00 24.14 O ATOM 431 CB VAL A 29 -12.630 10.615 -4.170 1.00 33.20 C ATOM 432 CG1 VAL A 29 -11.446 11.353 -4.776 1.00 72.20 C ATOM 433 CG2 VAL A 29 -12.524 10.575 -2.653 1.00 73.11 C ATOM 0 H VAL A 29 -14.920 9.607 -3.768 1.00 41.13 H new ATOM 0 HA VAL A 29 -13.986 12.294 -4.222 1.00 14.40 H new ATOM 0 HB VAL A 29 -12.616 9.590 -4.539 1.00 33.20 H new ATOM 0 HG11 VAL A 29 -10.519 10.875 -4.460 1.00 72.20 H new ATOM 0 HG12 VAL A 29 -11.517 11.324 -5.863 1.00 72.20 H new ATOM 0 HG13 VAL A 29 -11.452 12.390 -4.439 1.00 72.20 H new ATOM 0 HG21 VAL A 29 -11.582 10.108 -2.366 1.00 73.11 H new ATOM 0 HG22 VAL A 29 -12.560 11.591 -2.259 1.00 73.11 H new ATOM 0 HG23 VAL A 29 -13.354 9.998 -2.245 1.00 73.11 H new ATOM 443 N PHE A 30 -14.327 10.146 -6.716 1.00 31.13 N ATOM 444 CA PHE A 30 -14.425 10.035 -8.166 1.00 54.20 C ATOM 445 C PHE A 30 -15.453 11.019 -8.718 1.00 53.23 C ATOM 446 O PHE A 30 -15.391 11.411 -9.884 1.00 31.03 O ATOM 447 CB PHE A 30 -14.803 8.607 -8.565 1.00 40.11 C ATOM 448 CG PHE A 30 -13.617 7.718 -8.804 1.00 32.43 C ATOM 449 CD1 PHE A 30 -12.651 7.550 -7.825 1.00 21.02 C ATOM 450 CD2 PHE A 30 -13.467 7.050 -10.009 1.00 32.20 C ATOM 451 CE1 PHE A 30 -11.558 6.732 -8.042 1.00 24.24 C ATOM 452 CE2 PHE A 30 -12.376 6.230 -10.231 1.00 1.05 C ATOM 453 CZ PHE A 30 -11.420 6.072 -9.247 1.00 12.32 C ATOM 0 H PHE A 30 -14.508 9.277 -6.213 1.00 31.13 H new ATOM 0 HA PHE A 30 -13.451 10.277 -8.591 1.00 54.20 H new ATOM 0 HB2 PHE A 30 -15.422 8.171 -7.781 1.00 40.11 H new ATOM 0 HB3 PHE A 30 -15.411 8.640 -9.469 1.00 40.11 H new ATOM 0 HD1 PHE A 30 -12.753 8.064 -6.881 1.00 21.02 H new ATOM 0 HD2 PHE A 30 -14.210 7.171 -10.783 1.00 32.20 H new ATOM 0 HE1 PHE A 30 -10.813 6.609 -7.270 1.00 24.24 H new ATOM 0 HE2 PHE A 30 -12.272 5.713 -11.174 1.00 1.05 H new ATOM 0 HZ PHE A 30 -10.566 5.434 -9.420 1.00 12.32 H new ATOM 463 N LYS A 31 -16.399 11.414 -7.872 1.00 3.11 N ATOM 464 CA LYS A 31 -17.441 12.352 -8.273 1.00 43.23 C ATOM 465 C LYS A 31 -16.869 13.753 -8.460 1.00 44.53 C ATOM 466 O LYS A 31 -17.373 14.536 -9.264 1.00 34.13 O ATOM 467 CB LYS A 31 -18.558 12.381 -7.228 1.00 74.45 C ATOM 468 CG LYS A 31 -19.702 11.430 -7.533 1.00 54.22 C ATOM 469 CD LYS A 31 -20.977 11.842 -6.817 1.00 4.42 C ATOM 470 CE LYS A 31 -22.141 10.934 -7.184 1.00 24.34 C ATOM 471 NZ LYS A 31 -23.191 10.925 -6.128 1.00 73.33 N1+ ATOM 0 H LYS A 31 -16.465 11.099 -6.904 1.00 3.11 H new ATOM 0 HA LYS A 31 -17.851 12.016 -9.225 1.00 43.23 H new ATOM 0 HB2 LYS A 31 -18.139 12.131 -6.253 1.00 74.45 H new ATOM 0 HB3 LYS A 31 -18.950 13.396 -7.155 1.00 74.45 H new ATOM 0 HG2 LYS A 31 -19.879 11.406 -8.608 1.00 54.22 H new ATOM 0 HG3 LYS A 31 -19.426 10.419 -7.233 1.00 54.22 H new ATOM 0 HD2 LYS A 31 -20.816 11.812 -5.739 1.00 4.42 H new ATOM 0 HD3 LYS A 31 -21.223 12.872 -7.074 1.00 4.42 H new ATOM 0 HE2 LYS A 31 -22.577 11.265 -8.127 1.00 24.34 H new ATOM 0 HE3 LYS A 31 -21.775 9.919 -7.341 1.00 24.34 H new ATOM 0 HZ1 LYS A 31 -23.967 10.295 -6.415 1.00 73.33 H new ATOM 0 HZ2 LYS A 31 -22.782 10.585 -5.234 1.00 73.33 H new ATOM 0 HZ3 LYS A 31 -23.559 11.889 -5.996 1.00 73.33 H new ATOM 485 N GLN A 32 -15.813 14.061 -7.714 1.00 54.40 N ATOM 486 CA GLN A 32 -15.172 15.368 -7.799 1.00 54.13 C ATOM 487 C GLN A 32 -14.107 15.382 -8.890 1.00 51.02 C ATOM 488 O GLN A 32 -13.733 16.442 -9.393 1.00 60.30 O ATOM 489 CB GLN A 32 -14.547 15.742 -6.454 1.00 62.04 C ATOM 490 CG GLN A 32 -13.658 16.974 -6.518 1.00 65.45 C ATOM 491 CD GLN A 32 -13.106 17.366 -5.162 1.00 3.31 C ATOM 492 OE1 GLN A 32 -13.112 18.541 -4.793 1.00 21.30 O ATOM 493 NE2 GLN A 32 -12.625 16.382 -4.411 1.00 53.31 N ATOM 0 H GLN A 32 -15.383 13.423 -7.044 1.00 54.40 H new ATOM 0 HA GLN A 32 -15.936 16.103 -8.053 1.00 54.13 H new ATOM 0 HB2 GLN A 32 -15.342 15.915 -5.729 1.00 62.04 H new ATOM 0 HB3 GLN A 32 -13.960 14.899 -6.088 1.00 62.04 H new ATOM 0 HG2 GLN A 32 -12.831 16.785 -7.202 1.00 65.45 H new ATOM 0 HG3 GLN A 32 -14.228 17.808 -6.929 1.00 65.45 H new ATOM 0 HE21 GLN A 32 -12.640 15.422 -4.757 1.00 53.31 H new ATOM 0 HE22 GLN A 32 -12.241 16.586 -3.488 1.00 53.31 H new ATOM 502 N TYR A 33 -13.622 14.200 -9.251 1.00 2.51 N ATOM 503 CA TYR A 33 -12.597 14.076 -10.281 1.00 11.02 C ATOM 504 C TYR A 33 -13.001 14.827 -11.546 1.00 42.13 C ATOM 505 O TYR A 33 -12.301 15.736 -11.993 1.00 63.24 O ATOM 506 CB TYR A 33 -12.347 12.603 -10.608 1.00 15.35 C ATOM 507 CG TYR A 33 -11.189 12.001 -9.844 1.00 61.10 C ATOM 508 CD1 TYR A 33 -10.271 11.171 -10.476 1.00 41.15 C ATOM 509 CD2 TYR A 33 -11.014 12.261 -8.490 1.00 53.51 C ATOM 510 CE1 TYR A 33 -9.212 10.618 -9.782 1.00 23.03 C ATOM 511 CE2 TYR A 33 -9.957 11.714 -7.789 1.00 50.10 C ATOM 512 CZ TYR A 33 -9.059 10.893 -8.439 1.00 54.23 C ATOM 513 OH TYR A 33 -8.006 10.345 -7.744 1.00 42.34 O ATOM 0 H TYR A 33 -13.922 13.313 -8.846 1.00 2.51 H new ATOM 0 HA TYR A 33 -11.678 14.517 -9.896 1.00 11.02 H new ATOM 0 HB2 TYR A 33 -13.250 12.033 -10.391 1.00 15.35 H new ATOM 0 HB3 TYR A 33 -12.157 12.504 -11.677 1.00 15.35 H new ATOM 0 HD1 TYR A 33 -10.387 10.954 -11.528 1.00 41.15 H new ATOM 0 HD2 TYR A 33 -11.716 12.902 -7.977 1.00 53.51 H new ATOM 0 HE1 TYR A 33 -8.508 9.974 -10.288 1.00 23.03 H new ATOM 0 HE2 TYR A 33 -9.834 11.928 -6.738 1.00 50.10 H new ATOM 0 HH TYR A 33 -8.042 10.639 -6.810 1.00 42.34 H new ATOM 523 N PHE A 34 -14.137 14.441 -12.117 1.00 42.53 N ATOM 524 CA PHE A 34 -14.637 15.077 -13.331 1.00 12.11 C ATOM 525 C PHE A 34 -15.212 16.457 -13.025 1.00 72.21 C ATOM 526 O PHE A 34 -15.291 17.317 -13.901 1.00 45.01 O ATOM 527 CB PHE A 34 -15.706 14.202 -13.987 1.00 1.31 C ATOM 528 CG PHE A 34 -17.032 14.244 -13.282 1.00 2.03 C ATOM 529 CD1 PHE A 34 -17.333 13.325 -12.290 1.00 62.13 C ATOM 530 CD2 PHE A 34 -17.977 15.202 -13.612 1.00 32.51 C ATOM 531 CE1 PHE A 34 -18.552 13.361 -11.638 1.00 32.44 C ATOM 532 CE2 PHE A 34 -19.197 15.243 -12.964 1.00 32.40 C ATOM 533 CZ PHE A 34 -19.485 14.321 -11.977 1.00 11.44 C ATOM 0 H PHE A 34 -14.729 13.691 -11.759 1.00 42.53 H new ATOM 0 HA PHE A 34 -13.801 15.195 -14.020 1.00 12.11 H new ATOM 0 HB2 PHE A 34 -15.843 14.522 -15.020 1.00 1.31 H new ATOM 0 HB3 PHE A 34 -15.352 13.171 -14.017 1.00 1.31 H new ATOM 0 HD1 PHE A 34 -16.607 12.571 -12.023 1.00 62.13 H new ATOM 0 HD2 PHE A 34 -17.758 15.925 -14.384 1.00 32.51 H new ATOM 0 HE1 PHE A 34 -18.774 12.640 -10.865 1.00 32.44 H new ATOM 0 HE2 PHE A 34 -19.925 15.996 -13.229 1.00 32.40 H new ATOM 0 HZ PHE A 34 -20.439 14.351 -11.471 1.00 11.44 H new ATOM 543 N ASN A 35 -15.611 16.661 -11.773 1.00 73.45 N ATOM 544 CA ASN A 35 -16.180 17.936 -11.351 1.00 33.25 C ATOM 545 C ASN A 35 -15.267 19.095 -11.741 1.00 1.54 C ATOM 546 O ASN A 35 -15.736 20.161 -12.138 1.00 24.15 O ATOM 547 CB ASN A 35 -16.409 17.939 -9.838 1.00 33.43 C ATOM 548 CG ASN A 35 -17.227 19.132 -9.380 1.00 42.23 C ATOM 549 OD1 ASN A 35 -18.429 19.207 -9.632 1.00 2.52 O ATOM 550 ND2 ASN A 35 -16.576 20.070 -8.703 1.00 32.14 N ATOM 0 H ASN A 35 -15.551 15.960 -11.034 1.00 73.45 H new ATOM 0 HA ASN A 35 -17.137 18.065 -11.857 1.00 33.25 H new ATOM 0 HB2 ASN A 35 -16.918 17.020 -9.548 1.00 33.43 H new ATOM 0 HB3 ASN A 35 -15.446 17.944 -9.327 1.00 33.43 H new ATOM 0 HD21 ASN A 35 -17.073 20.895 -8.368 1.00 32.14 H new ATOM 0 HD22 ASN A 35 -15.579 19.965 -8.517 1.00 32.14 H new ATOM 557 N ASP A 36 -13.962 18.877 -11.625 1.00 44.34 N ATOM 558 CA ASP A 36 -12.982 19.902 -11.967 1.00 21.30 C ATOM 559 C ASP A 36 -13.005 20.197 -13.464 1.00 70.33 C ATOM 560 O ASP A 36 -12.765 21.327 -13.887 1.00 55.04 O ATOM 561 CB ASP A 36 -11.581 19.460 -11.543 1.00 43.24 C ATOM 562 CG ASP A 36 -10.664 20.634 -11.261 1.00 4.41 C ATOM 563 OD1 ASP A 36 -9.696 20.829 -12.027 1.00 2.20 O ATOM 564 OD2 ASP A 36 -10.915 21.359 -10.276 1.00 61.40 O1- ATOM 0 H ASP A 36 -13.558 18.000 -11.297 1.00 44.34 H new ATOM 0 HA ASP A 36 -13.244 20.814 -11.431 1.00 21.30 H new ATOM 0 HB2 ASP A 36 -11.654 18.837 -10.651 1.00 43.24 H new ATOM 0 HB3 ASP A 36 -11.145 18.842 -12.328 1.00 43.24 H new ATOM 569 N ASN A 37 -13.293 19.172 -14.260 1.00 62.30 N ATOM 570 CA ASN A 37 -13.345 19.322 -15.709 1.00 65.45 C ATOM 571 C ASN A 37 -14.582 20.110 -16.131 1.00 70.24 C ATOM 572 O ASN A 37 -14.650 20.630 -17.244 1.00 53.41 O ATOM 573 CB ASN A 37 -13.347 17.949 -16.385 1.00 52.22 C ATOM 574 CG ASN A 37 -12.069 17.175 -16.124 1.00 53.40 C ATOM 575 OD1 ASN A 37 -11.241 17.578 -15.307 1.00 51.53 O ATOM 576 ND2 ASN A 37 -11.903 16.056 -16.819 1.00 45.32 N ATOM 0 H ASN A 37 -13.494 18.229 -13.926 1.00 62.30 H new ATOM 0 HA ASN A 37 -12.459 19.874 -16.024 1.00 65.45 H new ATOM 0 HB2 ASN A 37 -14.198 17.371 -16.026 1.00 52.22 H new ATOM 0 HB3 ASN A 37 -13.479 18.076 -17.460 1.00 52.22 H new ATOM 0 HD21 ASN A 37 -11.063 15.493 -16.686 1.00 45.32 H new ATOM 0 HD22 ASN A 37 -12.615 15.759 -17.486 1.00 45.32 H new ATOM 583 N GLY A 38 -15.558 20.193 -15.233 1.00 54.05 N ATOM 584 CA GLY A 38 -16.779 20.920 -15.530 1.00 5.14 C ATOM 585 C GLY A 38 -17.537 20.325 -16.700 1.00 54.24 C ATOM 586 O GLY A 38 -18.151 21.051 -17.483 1.00 71.03 O ATOM 0 H GLY A 38 -15.526 19.770 -14.305 1.00 54.05 H new ATOM 0 HA2 GLY A 38 -17.420 20.922 -14.649 1.00 5.14 H new ATOM 0 HA3 GLY A 38 -16.535 21.959 -15.750 1.00 5.14 H new ATOM 590 N ILE A 39 -17.494 19.003 -16.821 1.00 60.34 N ATOM 591 CA ILE A 39 -18.182 18.312 -17.904 1.00 44.40 C ATOM 592 C ILE A 39 -19.693 18.344 -17.705 1.00 2.10 C ATOM 593 O ILE A 39 -20.213 17.797 -16.733 1.00 10.14 O ATOM 594 CB ILE A 39 -17.721 16.847 -18.020 1.00 24.24 C ATOM 595 CG1 ILE A 39 -16.210 16.781 -18.249 1.00 3.03 C ATOM 596 CG2 ILE A 39 -18.464 16.146 -19.147 1.00 53.24 C ATOM 597 CD1 ILE A 39 -15.621 15.409 -18.004 1.00 35.53 C ATOM 0 H ILE A 39 -16.990 18.388 -16.182 1.00 60.34 H new ATOM 0 HA ILE A 39 -17.929 18.838 -18.825 1.00 44.40 H new ATOM 0 HB ILE A 39 -17.950 16.335 -17.086 1.00 24.24 H new ATOM 0 HG12 ILE A 39 -15.992 17.083 -19.273 1.00 3.03 H new ATOM 0 HG13 ILE A 39 -15.720 17.500 -17.593 1.00 3.03 H new ATOM 0 HG21 ILE A 39 -18.127 15.112 -19.217 1.00 53.24 H new ATOM 0 HG22 ILE A 39 -19.535 16.166 -18.945 1.00 53.24 H new ATOM 0 HG23 ILE A 39 -18.263 16.657 -20.089 1.00 53.24 H new ATOM 0 HD11 ILE A 39 -14.547 15.437 -18.185 1.00 35.53 H new ATOM 0 HD12 ILE A 39 -15.807 15.112 -16.972 1.00 35.53 H new ATOM 0 HD13 ILE A 39 -16.084 14.688 -18.678 1.00 35.53 H new ATOM 609 N ASP A 40 -20.393 18.988 -18.633 1.00 20.35 N ATOM 610 CA ASP A 40 -21.846 19.089 -18.561 1.00 53.35 C ATOM 611 C ASP A 40 -22.508 18.027 -19.434 1.00 4.11 C ATOM 612 O ASP A 40 -22.218 17.918 -20.625 1.00 0.33 O ATOM 613 CB ASP A 40 -22.304 20.482 -18.996 1.00 31.23 C ATOM 614 CG ASP A 40 -23.684 20.828 -18.472 1.00 31.21 C ATOM 615 OD1 ASP A 40 -24.668 20.624 -19.213 1.00 21.22 O ATOM 616 OD2 ASP A 40 -23.779 21.301 -17.321 1.00 71.32 O1- ATOM 0 H ASP A 40 -19.978 19.448 -19.443 1.00 20.35 H new ATOM 0 HA ASP A 40 -22.146 18.923 -17.526 1.00 53.35 H new ATOM 0 HB2 ASP A 40 -21.588 21.224 -18.642 1.00 31.23 H new ATOM 0 HB3 ASP A 40 -22.308 20.536 -20.085 1.00 31.23 H new ATOM 621 N GLY A 41 -23.400 17.245 -18.832 1.00 55.40 N ATOM 622 CA GLY A 41 -24.088 16.201 -19.569 1.00 14.51 C ATOM 623 C GLY A 41 -24.804 15.224 -18.658 1.00 22.14 C ATOM 624 O GLY A 41 -25.269 15.597 -17.582 1.00 52.24 O ATOM 0 H GLY A 41 -23.658 17.316 -17.848 1.00 55.40 H new ATOM 0 HA2 GLY A 41 -24.809 16.655 -20.248 1.00 14.51 H new ATOM 0 HA3 GLY A 41 -23.369 15.660 -20.183 1.00 14.51 H new ATOM 628 N GLU A 42 -24.893 13.970 -19.091 1.00 22.23 N ATOM 629 CA GLU A 42 -25.560 12.938 -18.307 1.00 24.32 C ATOM 630 C GLU A 42 -24.551 12.146 -17.479 1.00 40.41 C ATOM 631 O GLU A 42 -24.002 11.146 -17.942 1.00 44.00 O ATOM 632 CB GLU A 42 -26.338 11.992 -19.224 1.00 74.13 C ATOM 633 CG GLU A 42 -27.037 10.864 -18.484 1.00 15.41 C ATOM 634 CD GLU A 42 -28.174 10.258 -19.284 1.00 64.42 C ATOM 635 OE1 GLU A 42 -29.153 9.793 -18.663 1.00 3.52 O ATOM 636 OE2 GLU A 42 -28.084 10.247 -20.529 1.00 15.41 O1- ATOM 0 H GLU A 42 -24.512 13.645 -19.980 1.00 22.23 H new ATOM 0 HA GLU A 42 -26.257 13.428 -17.627 1.00 24.32 H new ATOM 0 HB2 GLU A 42 -27.080 12.566 -19.778 1.00 74.13 H new ATOM 0 HB3 GLU A 42 -25.653 11.565 -19.957 1.00 74.13 H new ATOM 0 HG2 GLU A 42 -26.311 10.087 -18.245 1.00 15.41 H new ATOM 0 HG3 GLU A 42 -27.424 11.241 -17.537 1.00 15.41 H new ATOM 643 N TRP A 43 -24.313 12.601 -16.255 1.00 74.03 N ATOM 644 CA TRP A 43 -23.370 11.937 -15.363 1.00 72.23 C ATOM 645 C TRP A 43 -24.091 10.969 -14.431 1.00 53.32 C ATOM 646 O TRP A 43 -25.033 11.347 -13.734 1.00 73.03 O ATOM 647 CB TRP A 43 -22.595 12.971 -14.544 1.00 52.43 C ATOM 648 CG TRP A 43 -23.480 13.877 -13.742 1.00 72.22 C ATOM 649 CD1 TRP A 43 -24.023 15.062 -14.148 1.00 3.11 C ATOM 650 CD2 TRP A 43 -23.923 13.671 -12.396 1.00 61.32 C ATOM 651 NE1 TRP A 43 -24.776 15.606 -13.136 1.00 72.22 N ATOM 652 CE2 TRP A 43 -24.731 14.772 -12.051 1.00 75.21 C ATOM 653 CE3 TRP A 43 -23.717 12.664 -11.450 1.00 15.44 C ATOM 654 CZ2 TRP A 43 -25.331 14.891 -10.800 1.00 14.53 C ATOM 655 CZ3 TRP A 43 -24.312 12.784 -10.208 1.00 63.13 C ATOM 656 CH2 TRP A 43 -25.112 13.890 -9.893 1.00 31.13 C ATOM 0 H TRP A 43 -24.760 13.427 -15.857 1.00 74.03 H new ATOM 0 HA TRP A 43 -22.669 11.369 -15.975 1.00 72.23 H new ATOM 0 HB2 TRP A 43 -21.912 12.453 -13.871 1.00 52.43 H new ATOM 0 HB3 TRP A 43 -21.984 13.573 -15.217 1.00 52.43 H new ATOM 0 HD1 TRP A 43 -23.881 15.507 -15.122 1.00 3.11 H new ATOM 0 HE1 TRP A 43 -25.286 16.488 -13.185 1.00 72.22 H new ATOM 0 HE3 TRP A 43 -23.104 11.807 -11.685 1.00 15.44 H new ATOM 0 HZ2 TRP A 43 -25.947 15.743 -10.554 1.00 14.53 H new ATOM 0 HZ3 TRP A 43 -24.158 12.012 -9.468 1.00 63.13 H new ATOM 0 HH2 TRP A 43 -25.565 13.954 -8.915 1.00 31.13 H new ATOM 667 N THR A 44 -23.643 9.717 -14.424 1.00 63.42 N ATOM 668 CA THR A 44 -24.247 8.694 -13.579 1.00 74.13 C ATOM 669 C THR A 44 -23.252 7.583 -13.264 1.00 30.20 C ATOM 670 O THR A 44 -22.290 7.370 -14.003 1.00 74.04 O ATOM 671 CB THR A 44 -25.493 8.080 -14.243 1.00 73.40 C ATOM 672 OG1 THR A 44 -26.108 9.038 -15.112 1.00 32.24 O ATOM 673 CG2 THR A 44 -26.496 7.622 -13.195 1.00 35.45 C ATOM 0 H THR A 44 -22.864 9.387 -14.994 1.00 63.42 H new ATOM 0 HA THR A 44 -24.544 9.185 -12.652 1.00 74.13 H new ATOM 0 HB THR A 44 -25.177 7.213 -14.823 1.00 73.40 H new ATOM 0 HG1 THR A 44 -26.899 8.639 -15.531 1.00 32.24 H new ATOM 0 HG21 THR A 44 -27.367 7.192 -13.689 1.00 35.45 H new ATOM 0 HG22 THR A 44 -26.035 6.871 -12.554 1.00 35.45 H new ATOM 0 HG23 THR A 44 -26.806 8.475 -12.590 1.00 35.45 H new ATOM 681 N TYR A 45 -23.490 6.877 -12.165 1.00 54.15 N ATOM 682 CA TYR A 45 -22.613 5.787 -11.752 1.00 42.10 C ATOM 683 C TYR A 45 -23.253 4.433 -12.042 1.00 71.14 C ATOM 684 O TYR A 45 -24.345 4.134 -11.560 1.00 24.54 O ATOM 685 CB TYR A 45 -22.289 5.902 -10.261 1.00 34.31 C ATOM 686 CG TYR A 45 -21.135 6.832 -9.962 1.00 43.04 C ATOM 687 CD1 TYR A 45 -19.927 6.340 -9.483 1.00 14.35 C ATOM 688 CD2 TYR A 45 -21.252 8.202 -10.158 1.00 20.21 C ATOM 689 CE1 TYR A 45 -18.870 7.185 -9.208 1.00 10.11 C ATOM 690 CE2 TYR A 45 -20.200 9.055 -9.887 1.00 25.54 C ATOM 691 CZ TYR A 45 -19.011 8.542 -9.412 1.00 41.33 C ATOM 692 OH TYR A 45 -17.961 9.389 -9.139 1.00 2.25 O ATOM 0 H TYR A 45 -24.283 7.039 -11.544 1.00 54.15 H new ATOM 0 HA TYR A 45 -21.689 5.862 -12.325 1.00 42.10 H new ATOM 0 HB2 TYR A 45 -23.175 6.254 -9.731 1.00 34.31 H new ATOM 0 HB3 TYR A 45 -22.057 4.911 -9.871 1.00 34.31 H new ATOM 0 HD1 TYR A 45 -19.813 5.278 -9.323 1.00 14.35 H new ATOM 0 HD2 TYR A 45 -22.182 8.607 -10.529 1.00 20.21 H new ATOM 0 HE1 TYR A 45 -17.938 6.786 -8.835 1.00 10.11 H new ATOM 0 HE2 TYR A 45 -20.308 10.118 -10.046 1.00 25.54 H new ATOM 0 HH TYR A 45 -17.704 9.865 -9.956 1.00 2.25 H new ATOM 702 N ASP A 46 -22.563 3.618 -12.832 1.00 32.11 N ATOM 703 CA ASP A 46 -23.062 2.294 -13.186 1.00 22.14 C ATOM 704 C ASP A 46 -22.833 1.304 -12.048 1.00 62.51 C ATOM 705 O ASP A 46 -21.749 0.737 -11.914 1.00 34.35 O ATOM 706 CB ASP A 46 -22.378 1.792 -14.459 1.00 13.44 C ATOM 707 CG ASP A 46 -22.489 2.780 -15.604 1.00 75.02 C ATOM 708 OD1 ASP A 46 -23.601 3.303 -15.831 1.00 21.21 O ATOM 709 OD2 ASP A 46 -21.465 3.030 -16.272 1.00 71.21 O1- ATOM 0 H ASP A 46 -21.657 3.850 -13.239 1.00 32.11 H new ATOM 0 HA ASP A 46 -24.134 2.373 -13.365 1.00 22.14 H new ATOM 0 HB2 ASP A 46 -21.326 1.599 -14.251 1.00 13.44 H new ATOM 0 HB3 ASP A 46 -22.823 0.843 -14.757 1.00 13.44 H new ATOM 714 N ASP A 47 -23.860 1.104 -11.230 1.00 64.12 N ATOM 715 CA ASP A 47 -23.772 0.183 -10.102 1.00 34.13 C ATOM 716 C ASP A 47 -23.420 -1.224 -10.576 1.00 51.31 C ATOM 717 O ASP A 47 -22.900 -2.035 -9.810 1.00 32.42 O ATOM 718 CB ASP A 47 -25.092 0.160 -9.331 1.00 13.34 C ATOM 719 CG ASP A 47 -26.137 -0.714 -9.998 1.00 25.23 C ATOM 720 OD1 ASP A 47 -26.221 -1.910 -9.648 1.00 22.50 O ATOM 721 OD2 ASP A 47 -26.870 -0.201 -10.868 1.00 33.41 O1- ATOM 0 H ASP A 47 -24.764 1.567 -11.326 1.00 64.12 H new ATOM 0 HA ASP A 47 -22.980 0.533 -9.440 1.00 34.13 H new ATOM 0 HB2 ASP A 47 -24.912 -0.202 -8.319 1.00 13.34 H new ATOM 0 HB3 ASP A 47 -25.475 1.176 -9.242 1.00 13.34 H new ATOM 726 N ALA A 48 -23.707 -1.505 -11.842 1.00 3.34 N ATOM 727 CA ALA A 48 -23.420 -2.813 -12.418 1.00 34.15 C ATOM 728 C ALA A 48 -21.971 -3.217 -12.168 1.00 2.20 C ATOM 729 O ALA A 48 -21.691 -4.092 -11.347 1.00 13.04 O ATOM 730 CB ALA A 48 -23.720 -2.811 -13.910 1.00 54.35 C ATOM 0 H ALA A 48 -24.138 -0.845 -12.489 1.00 3.34 H new ATOM 0 HA ALA A 48 -24.063 -3.546 -11.931 1.00 34.15 H new ATOM 0 HB1 ALA A 48 -23.501 -3.794 -14.326 1.00 54.35 H new ATOM 0 HB2 ALA A 48 -24.772 -2.576 -14.069 1.00 54.35 H new ATOM 0 HB3 ALA A 48 -23.102 -2.062 -14.404 1.00 54.35 H new ATOM 736 N THR A 49 -21.051 -2.575 -12.882 1.00 23.03 N ATOM 737 CA THR A 49 -19.631 -2.868 -12.739 1.00 44.42 C ATOM 738 C THR A 49 -18.896 -1.715 -12.065 1.00 24.42 C ATOM 739 O THR A 49 -17.686 -1.556 -12.228 1.00 72.25 O ATOM 740 CB THR A 49 -18.975 -3.152 -14.104 1.00 65.43 C ATOM 741 OG1 THR A 49 -18.957 -1.959 -14.895 1.00 3.21 O ATOM 742 CG2 THR A 49 -19.725 -4.247 -14.847 1.00 35.54 C ATOM 0 H THR A 49 -21.265 -1.848 -13.565 1.00 23.03 H new ATOM 0 HA THR A 49 -19.554 -3.758 -12.115 1.00 44.42 H new ATOM 0 HB THR A 49 -17.953 -3.488 -13.929 1.00 65.43 H new ATOM 0 HG1 THR A 49 -18.537 -2.147 -15.760 1.00 3.21 H new ATOM 0 HG21 THR A 49 -19.244 -4.430 -15.808 1.00 35.54 H new ATOM 0 HG22 THR A 49 -19.713 -5.162 -14.255 1.00 35.54 H new ATOM 0 HG23 THR A 49 -20.756 -3.934 -15.012 1.00 35.54 H new ATOM 750 N LYS A 50 -19.634 -0.912 -11.306 1.00 22.21 N ATOM 751 CA LYS A 50 -19.053 0.226 -10.605 1.00 54.01 C ATOM 752 C LYS A 50 -18.249 1.102 -11.561 1.00 13.24 C ATOM 753 O LYS A 50 -17.123 1.497 -11.259 1.00 60.42 O ATOM 754 CB LYS A 50 -18.157 -0.256 -9.462 1.00 74.11 C ATOM 755 CG LYS A 50 -18.922 -0.907 -8.323 1.00 70.41 C ATOM 756 CD LYS A 50 -19.191 -2.377 -8.600 1.00 60.23 C ATOM 757 CE LYS A 50 -19.677 -3.099 -7.353 1.00 12.31 C ATOM 758 NZ LYS A 50 -18.545 -3.605 -6.528 1.00 22.44 N1+ ATOM 0 H LYS A 50 -20.637 -1.029 -11.161 1.00 22.21 H new ATOM 0 HA LYS A 50 -19.868 0.821 -10.193 1.00 54.01 H new ATOM 0 HB2 LYS A 50 -17.432 -0.968 -9.856 1.00 74.11 H new ATOM 0 HB3 LYS A 50 -17.592 0.591 -9.072 1.00 74.11 H new ATOM 0 HG2 LYS A 50 -18.353 -0.808 -7.398 1.00 70.41 H new ATOM 0 HG3 LYS A 50 -19.867 -0.385 -8.173 1.00 70.41 H new ATOM 0 HD2 LYS A 50 -19.937 -2.469 -9.389 1.00 60.23 H new ATOM 0 HD3 LYS A 50 -18.281 -2.852 -8.965 1.00 60.23 H new ATOM 0 HE2 LYS A 50 -20.287 -2.421 -6.756 1.00 12.31 H new ATOM 0 HE3 LYS A 50 -20.317 -3.933 -7.642 1.00 12.31 H new ATOM 0 HZ1 LYS A 50 -18.918 -4.091 -5.687 1.00 22.44 H new ATOM 0 HZ2 LYS A 50 -17.977 -4.271 -7.089 1.00 22.44 H new ATOM 0 HZ3 LYS A 50 -17.948 -2.807 -6.230 1.00 22.44 H new ATOM 772 N THR A 51 -18.835 1.403 -12.716 1.00 5.13 N ATOM 773 CA THR A 51 -18.174 2.231 -13.716 1.00 62.03 C ATOM 774 C THR A 51 -18.907 3.554 -13.906 1.00 61.41 C ATOM 775 O THR A 51 -20.123 3.579 -14.099 1.00 75.14 O ATOM 776 CB THR A 51 -18.081 1.508 -15.073 1.00 12.24 C ATOM 777 OG1 THR A 51 -17.515 0.205 -14.896 1.00 41.30 O ATOM 778 CG2 THR A 51 -17.235 2.305 -16.054 1.00 45.45 C ATOM 0 H THR A 51 -19.767 1.085 -12.982 1.00 5.13 H new ATOM 0 HA THR A 51 -17.167 2.427 -13.348 1.00 62.03 H new ATOM 0 HB THR A 51 -19.088 1.414 -15.479 1.00 12.24 H new ATOM 0 HG1 THR A 51 -18.217 -0.423 -14.625 1.00 41.30 H new ATOM 0 HG21 THR A 51 -17.184 1.775 -17.005 1.00 45.45 H new ATOM 0 HG22 THR A 51 -17.685 3.286 -16.209 1.00 45.45 H new ATOM 0 HG23 THR A 51 -16.229 2.427 -15.652 1.00 45.45 H new ATOM 786 N PHE A 52 -18.161 4.652 -13.852 1.00 75.33 N ATOM 787 CA PHE A 52 -18.741 5.980 -14.019 1.00 62.31 C ATOM 788 C PHE A 52 -18.641 6.438 -15.471 1.00 33.05 C ATOM 789 O PHE A 52 -17.546 6.631 -16.000 1.00 14.21 O ATOM 790 CB PHE A 52 -18.038 6.985 -13.105 1.00 44.53 C ATOM 791 CG PHE A 52 -18.496 8.401 -13.307 1.00 0.11 C ATOM 792 CD1 PHE A 52 -17.614 9.371 -13.755 1.00 32.13 C ATOM 793 CD2 PHE A 52 -19.809 8.763 -13.050 1.00 52.53 C ATOM 794 CE1 PHE A 52 -18.032 10.675 -13.943 1.00 70.23 C ATOM 795 CE2 PHE A 52 -20.233 10.065 -13.236 1.00 42.45 C ATOM 796 CZ PHE A 52 -19.343 11.023 -13.682 1.00 22.23 C ATOM 0 H PHE A 52 -17.153 4.649 -13.694 1.00 75.33 H new ATOM 0 HA PHE A 52 -19.795 5.927 -13.745 1.00 62.31 H new ATOM 0 HB2 PHE A 52 -18.209 6.701 -12.067 1.00 44.53 H new ATOM 0 HB3 PHE A 52 -16.963 6.931 -13.278 1.00 44.53 H new ATOM 0 HD1 PHE A 52 -16.587 9.105 -13.960 1.00 32.13 H new ATOM 0 HD2 PHE A 52 -20.509 8.019 -12.700 1.00 52.53 H new ATOM 0 HE1 PHE A 52 -17.334 11.421 -14.294 1.00 70.23 H new ATOM 0 HE2 PHE A 52 -21.259 10.333 -13.033 1.00 42.45 H new ATOM 0 HZ PHE A 52 -19.672 12.042 -13.826 1.00 22.23 H new ATOM 806 N THR A 53 -19.793 6.611 -16.111 1.00 44.51 N ATOM 807 CA THR A 53 -19.837 7.046 -17.502 1.00 4.44 C ATOM 808 C THR A 53 -20.649 8.327 -17.653 1.00 31.34 C ATOM 809 O THR A 53 -21.630 8.539 -16.938 1.00 4.23 O ATOM 810 CB THR A 53 -20.440 5.959 -18.411 1.00 54.11 C ATOM 811 OG1 THR A 53 -19.933 4.672 -18.040 1.00 65.42 O ATOM 812 CG2 THR A 53 -20.117 6.234 -19.872 1.00 60.43 C ATOM 0 H THR A 53 -20.708 6.457 -15.688 1.00 44.51 H new ATOM 0 HA THR A 53 -18.808 7.235 -17.807 1.00 4.44 H new ATOM 0 HB THR A 53 -21.523 5.973 -18.286 1.00 54.11 H new ATOM 0 HG1 THR A 53 -20.558 4.240 -17.421 1.00 65.42 H new ATOM 0 HG21 THR A 53 -20.553 5.453 -20.494 1.00 60.43 H new ATOM 0 HG22 THR A 53 -20.530 7.201 -20.160 1.00 60.43 H new ATOM 0 HG23 THR A 53 -19.036 6.246 -20.010 1.00 60.43 H new ATOM 820 N ILE A 54 -20.236 9.177 -18.586 1.00 75.01 N ATOM 821 CA ILE A 54 -20.928 10.437 -18.831 1.00 65.32 C ATOM 822 C ILE A 54 -21.307 10.579 -20.301 1.00 75.20 C ATOM 823 O ILE A 54 -20.558 10.170 -21.190 1.00 23.01 O ATOM 824 CB ILE A 54 -20.065 11.643 -18.416 1.00 70.24 C ATOM 825 CG1 ILE A 54 -19.694 11.546 -16.935 1.00 13.34 C ATOM 826 CG2 ILE A 54 -20.801 12.944 -18.700 1.00 72.34 C ATOM 827 CD1 ILE A 54 -18.682 12.582 -16.497 1.00 12.11 C ATOM 0 H ILE A 54 -19.426 9.017 -19.185 1.00 75.01 H new ATOM 0 HA ILE A 54 -21.834 10.423 -18.225 1.00 65.32 H new ATOM 0 HB ILE A 54 -19.146 11.633 -19.003 1.00 70.24 H new ATOM 0 HG12 ILE A 54 -20.597 11.655 -16.335 1.00 13.34 H new ATOM 0 HG13 ILE A 54 -19.295 10.552 -16.733 1.00 13.34 H new ATOM 0 HG21 ILE A 54 -20.178 13.787 -18.401 1.00 72.34 H new ATOM 0 HG22 ILE A 54 -21.019 13.014 -19.766 1.00 72.34 H new ATOM 0 HG23 ILE A 54 -21.734 12.965 -18.137 1.00 72.34 H new ATOM 0 HD11 ILE A 54 -18.466 12.454 -15.436 1.00 12.11 H new ATOM 0 HD12 ILE A 54 -17.764 12.460 -17.072 1.00 12.11 H new ATOM 0 HD13 ILE A 54 -19.086 13.580 -16.667 1.00 12.11 H new ATOM 839 N THR A 55 -22.474 11.163 -20.552 1.00 63.33 N ATOM 840 CA THR A 55 -22.953 11.361 -21.914 1.00 22.45 C ATOM 841 C THR A 55 -23.398 12.802 -22.137 1.00 22.32 C ATOM 842 O THR A 55 -24.486 13.196 -21.720 1.00 1.22 O ATOM 843 CB THR A 55 -24.126 10.417 -22.240 1.00 44.25 C ATOM 844 OG1 THR A 55 -23.932 9.153 -21.596 1.00 21.34 O ATOM 845 CG2 THR A 55 -24.256 10.212 -23.742 1.00 31.54 C ATOM 0 H THR A 55 -23.106 11.508 -19.829 1.00 63.33 H new ATOM 0 HA THR A 55 -22.119 11.135 -22.578 1.00 22.45 H new ATOM 0 HB THR A 55 -25.044 10.875 -21.871 1.00 44.25 H new ATOM 0 HG1 THR A 55 -24.683 8.560 -21.807 1.00 21.34 H new ATOM 0 HG21 THR A 55 -25.091 9.542 -23.947 1.00 31.54 H new ATOM 0 HG22 THR A 55 -24.434 11.172 -24.226 1.00 31.54 H new ATOM 0 HG23 THR A 55 -23.336 9.775 -24.131 1.00 31.54 H new ATOM 853 N GLU A 56 -22.549 13.582 -22.799 1.00 43.31 N ATOM 854 CA GLU A 56 -22.857 14.980 -23.077 1.00 5.13 C ATOM 855 C GLU A 56 -23.958 15.097 -24.127 1.00 2.24 C ATOM 856 O GLU A 56 -23.969 14.361 -25.112 1.00 43.14 O ATOM 857 CB GLU A 56 -21.603 15.717 -23.553 1.00 72.24 C ATOM 858 CG GLU A 56 -20.508 15.796 -22.502 1.00 20.14 C ATOM 859 CD GLU A 56 -19.152 16.124 -23.097 1.00 52.32 C ATOM 860 OE1 GLU A 56 -18.130 15.811 -22.450 1.00 72.23 O ATOM 861 OE2 GLU A 56 -19.112 16.693 -24.208 1.00 35.02 O1- ATOM 0 H GLU A 56 -21.644 13.270 -23.152 1.00 43.31 H new ATOM 0 HA GLU A 56 -23.210 15.438 -22.153 1.00 5.13 H new ATOM 0 HB2 GLU A 56 -21.211 15.215 -24.437 1.00 72.24 H new ATOM 0 HB3 GLU A 56 -21.878 16.727 -23.855 1.00 72.24 H new ATOM 0 HG2 GLU A 56 -20.771 16.555 -21.765 1.00 20.14 H new ATOM 0 HG3 GLU A 56 -20.448 14.845 -21.973 1.00 20.14 H new TER 868 GLU A 56