USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 669 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 23 HIS : no HD1:sc= -0.342 K(o=0.64,f=-0.29) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.98 K(o=0.64,f=-0.46) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 180:sc= 0.587 (180deg=0.587) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.118 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.788 K(o=0.79,f=-0.39) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.4) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0147) USER MOD Single : A 26 ASN : amide:sc= -0.0962 K(o=-0.096,f=-1.7!) USER MOD Single : A 27 SER OG : rot 38:sc= 1.27 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.68 K(o=0.68,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.8!) USER MOD Single : A 58 MET CE :methyl -173:sc= -0.885 (180deg=-1.04) USER MOD Single : A 65 HIS : no HD1:sc= 0.334 K(o=0.33,f=-6.2!) USER MOD Single : A 67 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.146 (180deg=-0.94) USER MOD Single : A 75 ASN : amide:sc= -0.0696 K(o=-0.07,f=-1.7) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0106 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.363 10.383 3.934 1.00 11.32 N ATOM 2 CA GLY A 1 -14.316 10.160 2.838 1.00 5.14 C ATOM 3 C GLY A 1 -14.256 8.726 2.339 1.00 5.25 C ATOM 4 O GLY A 1 -13.472 7.920 2.843 1.00 33.42 O ATOM 0 H1 GLY A 1 -13.874 10.715 4.777 1.00 11.32 H new ATOM 0 H2 GLY A 1 -12.873 9.493 4.155 1.00 11.32 H new ATOM 0 H3 GLY A 1 -12.666 11.100 3.648 1.00 11.32 H new ATOM 0 HA2 GLY A 1 -15.326 10.387 3.179 1.00 5.14 H new ATOM 0 HA3 GLY A 1 -14.096 10.843 2.017 1.00 5.14 H new ATOM 8 N ASN A 2 -15.035 8.412 1.300 1.00 50.51 N ATOM 9 CA ASN A 2 -15.131 7.087 0.676 1.00 43.14 C ATOM 10 C ASN A 2 -13.840 6.524 0.083 1.00 63.10 C ATOM 11 O ASN A 2 -13.896 5.494 -0.575 1.00 74.22 O ATOM 12 CB ASN A 2 -16.213 7.067 -0.418 1.00 63.41 C ATOM 13 CG ASN A 2 -15.847 7.984 -1.575 1.00 31.31 C ATOM 14 OD1 ASN A 2 -16.060 9.189 -1.480 1.00 24.32 O ATOM 15 ND2 ASN A 2 -15.249 7.500 -2.651 1.00 32.23 N ATOM 0 H ASN A 2 -15.640 9.100 0.852 1.00 50.51 H new ATOM 0 HA ASN A 2 -15.388 6.439 1.514 1.00 43.14 H new ATOM 0 HB2 ASN A 2 -16.343 6.049 -0.785 1.00 63.41 H new ATOM 0 HB3 ASN A 2 -17.168 7.377 0.006 1.00 63.41 H new ATOM 0 HD21 ASN A 2 -14.965 8.128 -3.402 1.00 32.23 H new ATOM 0 HD22 ASN A 2 -15.072 6.498 -2.729 1.00 32.23 H new ATOM 22 N ARG A 3 -12.684 7.156 0.233 1.00 15.43 N ATOM 23 CA ARG A 3 -11.431 6.645 -0.294 1.00 11.41 C ATOM 24 C ARG A 3 -10.438 6.683 0.837 1.00 63.44 C ATOM 25 O ARG A 3 -10.129 7.751 1.374 1.00 42.00 O ATOM 26 CB ARG A 3 -10.992 7.466 -1.489 1.00 63.42 C ATOM 27 CG ARG A 3 -9.895 6.772 -2.307 1.00 33.34 C ATOM 28 CD ARG A 3 -8.878 7.761 -2.865 1.00 64.53 C ATOM 29 NE ARG A 3 -9.502 9.017 -3.327 1.00 45.22 N ATOM 30 CZ ARG A 3 -8.902 10.204 -3.449 1.00 10.43 C ATOM 31 NH1 ARG A 3 -7.589 10.345 -3.454 1.00 73.41 N ATOM 32 NH2 ARG A 3 -9.627 11.303 -3.542 1.00 73.14 N ATOM 0 H ARG A 3 -12.591 8.043 0.727 1.00 15.43 H new ATOM 0 HA ARG A 3 -11.527 5.621 -0.656 1.00 11.41 H new ATOM 0 HB2 ARG A 3 -11.852 7.658 -2.130 1.00 63.42 H new ATOM 0 HB3 ARG A 3 -10.628 8.434 -1.146 1.00 63.42 H new ATOM 0 HG2 ARG A 3 -9.383 6.043 -1.679 1.00 33.34 H new ATOM 0 HG3 ARG A 3 -10.351 6.221 -3.129 1.00 33.34 H new ATOM 0 HD2 ARG A 3 -8.138 7.988 -2.097 1.00 64.53 H new ATOM 0 HD3 ARG A 3 -8.344 7.298 -3.695 1.00 64.53 H new ATOM 0 HE ARG A 3 -10.490 8.974 -3.578 1.00 45.22 H new ATOM 0 HH11 ARG A 3 -6.988 9.526 -3.362 1.00 73.41 H new ATOM 0 HH12 ARG A 3 -7.176 11.273 -3.550 1.00 73.41 H new ATOM 0 HH21 ARG A 3 -10.645 11.246 -3.521 1.00 73.14 H new ATOM 0 HH22 ARG A 3 -9.169 12.210 -3.635 1.00 73.14 H new ATOM 46 N PHE A 4 -9.987 5.512 1.234 1.00 62.42 N ATOM 47 CA PHE A 4 -9.041 5.330 2.317 1.00 62.34 C ATOM 48 C PHE A 4 -7.652 5.126 1.719 1.00 63.31 C ATOM 49 O PHE A 4 -7.512 4.969 0.500 1.00 0.30 O ATOM 50 CB PHE A 4 -9.554 4.185 3.195 1.00 13.50 C ATOM 51 CG PHE A 4 -11.017 4.332 3.609 1.00 72.33 C ATOM 52 CD1 PHE A 4 -11.403 5.313 4.542 1.00 62.55 C ATOM 53 CD2 PHE A 4 -12.010 3.516 3.030 1.00 44.44 C ATOM 54 CE1 PHE A 4 -12.745 5.447 4.935 1.00 22.11 C ATOM 55 CE2 PHE A 4 -13.349 3.624 3.448 1.00 40.21 C ATOM 56 CZ PHE A 4 -13.718 4.592 4.396 1.00 63.43 C ATOM 0 H PHE A 4 -10.276 4.635 0.801 1.00 62.42 H new ATOM 0 HA PHE A 4 -8.952 6.200 2.968 1.00 62.34 H new ATOM 0 HB2 PHE A 4 -9.431 3.245 2.658 1.00 13.50 H new ATOM 0 HB3 PHE A 4 -8.937 4.123 4.091 1.00 13.50 H new ATOM 0 HD1 PHE A 4 -10.657 5.972 4.961 1.00 62.55 H new ATOM 0 HD2 PHE A 4 -11.742 2.805 2.262 1.00 44.44 H new ATOM 0 HE1 PHE A 4 -13.027 6.206 5.650 1.00 22.11 H new ATOM 0 HE2 PHE A 4 -14.096 2.960 3.038 1.00 40.21 H new ATOM 0 HZ PHE A 4 -14.748 4.678 4.709 1.00 63.43 H new ATOM 66 N ILE A 5 -6.622 5.253 2.557 1.00 3.11 N ATOM 67 CA ILE A 5 -5.221 5.139 2.179 1.00 21.53 C ATOM 68 C ILE A 5 -4.451 4.272 3.182 1.00 70.52 C ATOM 69 O ILE A 5 -4.770 4.223 4.374 1.00 43.22 O ATOM 70 CB ILE A 5 -4.638 6.569 2.038 1.00 32.03 C ATOM 71 CG1 ILE A 5 -5.258 7.333 0.839 1.00 72.11 C ATOM 72 CG2 ILE A 5 -3.104 6.597 1.861 1.00 11.10 C ATOM 73 CD1 ILE A 5 -5.240 8.840 1.056 1.00 31.03 C ATOM 0 H ILE A 5 -6.749 5.445 3.551 1.00 3.11 H new ATOM 0 HA ILE A 5 -5.123 4.632 1.219 1.00 21.53 H new ATOM 0 HB ILE A 5 -4.895 7.055 2.979 1.00 32.03 H new ATOM 0 HG12 ILE A 5 -4.707 7.090 -0.070 1.00 72.11 H new ATOM 0 HG13 ILE A 5 -6.285 7.000 0.688 1.00 72.11 H new ATOM 0 HG21 ILE A 5 -2.767 7.630 1.769 1.00 11.10 H new ATOM 0 HG22 ILE A 5 -2.629 6.136 2.727 1.00 11.10 H new ATOM 0 HG23 ILE A 5 -2.831 6.045 0.962 1.00 11.10 H new ATOM 0 HD11 ILE A 5 -5.683 9.337 0.193 1.00 31.03 H new ATOM 0 HD12 ILE A 5 -5.813 9.086 1.950 1.00 31.03 H new ATOM 0 HD13 ILE A 5 -4.211 9.177 1.180 1.00 31.03 H new ATOM 85 N VAL A 6 -3.432 3.581 2.682 1.00 32.51 N ATOM 86 CA VAL A 6 -2.531 2.708 3.413 1.00 74.15 C ATOM 87 C VAL A 6 -1.135 3.318 3.252 1.00 12.34 C ATOM 88 O VAL A 6 -0.765 3.761 2.160 1.00 43.44 O ATOM 89 CB VAL A 6 -2.631 1.273 2.857 1.00 73.22 C ATOM 90 CG1 VAL A 6 -1.666 0.326 3.580 1.00 53.33 C ATOM 91 CG2 VAL A 6 -4.054 0.712 3.000 1.00 32.34 C ATOM 0 H VAL A 6 -3.202 3.621 1.689 1.00 32.51 H new ATOM 0 HA VAL A 6 -2.778 2.633 4.472 1.00 74.15 H new ATOM 0 HB VAL A 6 -2.366 1.333 1.801 1.00 73.22 H new ATOM 0 HG11 VAL A 6 -1.761 -0.677 3.165 1.00 53.33 H new ATOM 0 HG12 VAL A 6 -0.643 0.678 3.447 1.00 53.33 H new ATOM 0 HG13 VAL A 6 -1.907 0.303 4.643 1.00 53.33 H new ATOM 0 HG21 VAL A 6 -4.088 -0.301 2.598 1.00 32.34 H new ATOM 0 HG22 VAL A 6 -4.334 0.694 4.053 1.00 32.34 H new ATOM 0 HG23 VAL A 6 -4.751 1.344 2.450 1.00 32.34 H new ATOM 101 N PHE A 7 -0.399 3.402 4.358 1.00 0.31 N ATOM 102 CA PHE A 7 0.952 3.931 4.451 1.00 11.40 C ATOM 103 C PHE A 7 1.928 2.774 4.493 1.00 32.50 C ATOM 104 O PHE A 7 1.637 1.758 5.129 1.00 43.14 O ATOM 105 CB PHE A 7 1.137 4.698 5.763 1.00 53.32 C ATOM 106 CG PHE A 7 2.517 5.311 5.923 1.00 35.24 C ATOM 107 CD1 PHE A 7 2.766 6.604 5.434 1.00 23.14 C ATOM 108 CD2 PHE A 7 3.570 4.581 6.512 1.00 73.40 C ATOM 109 CE1 PHE A 7 4.044 7.169 5.558 1.00 74.43 C ATOM 110 CE2 PHE A 7 4.840 5.150 6.658 1.00 33.11 C ATOM 111 CZ PHE A 7 5.071 6.444 6.182 1.00 14.01 C ATOM 0 H PHE A 7 -0.752 3.084 5.261 1.00 0.31 H new ATOM 0 HA PHE A 7 1.123 4.584 3.596 1.00 11.40 H new ATOM 0 HB2 PHE A 7 0.389 5.489 5.820 1.00 53.32 H new ATOM 0 HB3 PHE A 7 0.950 4.022 6.598 1.00 53.32 H new ATOM 0 HD1 PHE A 7 1.972 7.164 4.962 1.00 23.14 H new ATOM 0 HD2 PHE A 7 3.394 3.572 6.854 1.00 73.40 H new ATOM 0 HE1 PHE A 7 4.237 8.160 5.174 1.00 74.43 H new ATOM 0 HE2 PHE A 7 5.635 4.595 7.134 1.00 33.11 H new ATOM 0 HZ PHE A 7 6.048 6.890 6.295 1.00 14.01 H new ATOM 121 N VAL A 8 3.079 2.918 3.843 1.00 73.11 N ATOM 122 CA VAL A 8 4.115 1.900 3.836 1.00 14.34 C ATOM 123 C VAL A 8 5.444 2.642 3.992 1.00 54.03 C ATOM 124 O VAL A 8 5.626 3.653 3.316 1.00 65.31 O ATOM 125 CB VAL A 8 4.046 1.056 2.549 1.00 24.11 C ATOM 126 CG1 VAL A 8 4.869 -0.234 2.681 1.00 42.50 C ATOM 127 CG2 VAL A 8 2.618 0.659 2.138 1.00 41.53 C ATOM 0 H VAL A 8 3.317 3.751 3.304 1.00 73.11 H new ATOM 0 HA VAL A 8 3.991 1.187 4.651 1.00 14.34 H new ATOM 0 HB VAL A 8 4.457 1.706 1.776 1.00 24.11 H new ATOM 0 HG11 VAL A 8 4.799 -0.806 1.756 1.00 42.50 H new ATOM 0 HG12 VAL A 8 5.912 0.018 2.874 1.00 42.50 H new ATOM 0 HG13 VAL A 8 4.481 -0.830 3.507 1.00 42.50 H new ATOM 0 HG21 VAL A 8 2.654 0.067 1.223 1.00 41.53 H new ATOM 0 HG22 VAL A 8 2.161 0.071 2.933 1.00 41.53 H new ATOM 0 HG23 VAL A 8 2.026 1.558 1.965 1.00 41.53 H new ATOM 137 N GLY A 9 6.361 2.211 4.865 1.00 1.13 N ATOM 138 CA GLY A 9 7.655 2.876 5.044 1.00 44.20 C ATOM 139 C GLY A 9 8.799 1.864 5.041 1.00 20.04 C ATOM 140 O GLY A 9 8.575 0.658 4.912 1.00 14.42 O ATOM 0 H GLY A 9 6.228 1.396 5.464 1.00 1.13 H new ATOM 0 HA2 GLY A 9 7.807 3.603 4.247 1.00 44.20 H new ATOM 0 HA3 GLY A 9 7.657 3.428 5.984 1.00 44.20 H new ATOM 144 N SER A 10 10.030 2.352 5.203 1.00 53.34 N ATOM 145 CA SER A 10 11.275 1.586 5.215 1.00 11.11 C ATOM 146 C SER A 10 11.598 0.963 3.850 1.00 71.03 C ATOM 147 O SER A 10 12.474 0.101 3.739 1.00 10.02 O ATOM 148 CB SER A 10 11.258 0.545 6.346 1.00 62.41 C ATOM 149 OG SER A 10 12.210 0.868 7.336 1.00 51.22 O ATOM 0 H SER A 10 10.193 3.350 5.337 1.00 53.34 H new ATOM 0 HA SER A 10 12.088 2.283 5.417 1.00 11.11 H new ATOM 0 HB2 SER A 10 10.264 0.501 6.791 1.00 62.41 H new ATOM 0 HB3 SER A 10 11.470 -0.444 5.940 1.00 62.41 H new ATOM 0 HG SER A 10 12.183 0.195 8.048 1.00 51.22 H new ATOM 155 N LEU A 11 10.922 1.412 2.790 1.00 21.13 N ATOM 156 CA LEU A 11 11.082 0.912 1.430 1.00 24.42 C ATOM 157 C LEU A 11 12.545 0.887 0.970 1.00 22.51 C ATOM 158 O LEU A 11 13.328 1.771 1.349 1.00 22.01 O ATOM 159 CB LEU A 11 10.237 1.729 0.439 1.00 13.51 C ATOM 160 CG LEU A 11 8.768 1.282 0.360 1.00 73.45 C ATOM 161 CD1 LEU A 11 8.018 1.340 1.698 1.00 53.05 C ATOM 162 CD2 LEU A 11 8.035 2.198 -0.604 1.00 71.44 C ATOM 0 H LEU A 11 10.228 2.156 2.861 1.00 21.13 H new ATOM 0 HA LEU A 11 10.728 -0.119 1.444 1.00 24.42 H new ATOM 0 HB2 LEU A 11 10.272 2.780 0.726 1.00 13.51 H new ATOM 0 HB3 LEU A 11 10.684 1.654 -0.553 1.00 13.51 H new ATOM 0 HG LEU A 11 8.786 0.241 0.038 1.00 73.45 H new ATOM 0 HD11 LEU A 11 6.990 1.009 1.553 1.00 53.05 H new ATOM 0 HD12 LEU A 11 8.511 0.689 2.420 1.00 53.05 H new ATOM 0 HD13 LEU A 11 8.020 2.364 2.072 1.00 53.05 H new ATOM 0 HD21 LEU A 11 6.990 1.894 -0.672 1.00 71.44 H new ATOM 0 HD22 LEU A 11 8.092 3.225 -0.244 1.00 71.44 H new ATOM 0 HD23 LEU A 11 8.496 2.133 -1.589 1.00 71.44 H new ATOM 174 N PRO A 12 12.904 -0.085 0.108 1.00 53.34 N ATOM 175 CA PRO A 12 14.248 -0.230 -0.429 1.00 1.42 C ATOM 176 C PRO A 12 14.649 1.022 -1.197 1.00 74.22 C ATOM 177 O PRO A 12 13.797 1.780 -1.670 1.00 22.50 O ATOM 178 CB PRO A 12 14.246 -1.477 -1.320 1.00 15.31 C ATOM 179 CG PRO A 12 12.777 -1.862 -1.482 1.00 30.11 C ATOM 180 CD PRO A 12 12.033 -1.141 -0.374 1.00 61.13 C ATOM 0 HA PRO A 12 14.983 -0.350 0.367 1.00 1.42 H new ATOM 0 HB2 PRO A 12 14.706 -1.269 -2.286 1.00 15.31 H new ATOM 0 HB3 PRO A 12 14.816 -2.286 -0.863 1.00 15.31 H new ATOM 0 HG2 PRO A 12 12.401 -1.566 -2.461 1.00 30.11 H new ATOM 0 HG3 PRO A 12 12.645 -2.941 -1.403 1.00 30.11 H new ATOM 0 HD2 PRO A 12 11.095 -0.727 -0.745 1.00 61.13 H new ATOM 0 HD3 PRO A 12 11.780 -1.830 0.432 1.00 61.13 H new ATOM 188 N ARG A 13 15.950 1.281 -1.292 1.00 22.44 N ATOM 189 CA ARG A 13 16.428 2.464 -2.002 1.00 21.45 C ATOM 190 C ARG A 13 16.202 2.298 -3.495 1.00 75.20 C ATOM 191 O ARG A 13 15.760 3.242 -4.145 1.00 53.14 O ATOM 192 CB ARG A 13 17.885 2.771 -1.640 1.00 23.25 C ATOM 193 CG ARG A 13 18.017 2.989 -0.122 1.00 52.44 C ATOM 194 CD ARG A 13 18.828 4.233 0.230 1.00 2.11 C ATOM 195 NE ARG A 13 18.693 4.518 1.667 1.00 70.41 N ATOM 196 CZ ARG A 13 19.323 5.467 2.354 1.00 21.12 C ATOM 197 NH1 ARG A 13 20.209 6.256 1.766 1.00 2.50 N ATOM 198 NH2 ARG A 13 19.053 5.624 3.642 1.00 11.24 N ATOM 0 H ARG A 13 16.684 0.696 -0.892 1.00 22.44 H new ATOM 0 HA ARG A 13 15.853 3.335 -1.687 1.00 21.45 H new ATOM 0 HB2 ARG A 13 18.527 1.948 -1.955 1.00 23.25 H new ATOM 0 HB3 ARG A 13 18.221 3.660 -2.174 1.00 23.25 H new ATOM 0 HG2 ARG A 13 17.022 3.074 0.316 1.00 52.44 H new ATOM 0 HG3 ARG A 13 18.489 2.115 0.326 1.00 52.44 H new ATOM 0 HD2 ARG A 13 19.877 4.080 -0.024 1.00 2.11 H new ATOM 0 HD3 ARG A 13 18.479 5.084 -0.355 1.00 2.11 H new ATOM 0 HE ARG A 13 18.049 3.926 2.191 1.00 70.41 H new ATOM 0 HH11 ARG A 13 20.416 6.140 0.774 1.00 2.50 H new ATOM 0 HH12 ARG A 13 20.685 6.980 2.305 1.00 2.50 H new ATOM 0 HH21 ARG A 13 18.368 5.020 4.097 1.00 11.24 H new ATOM 0 HH22 ARG A 13 19.530 6.348 4.178 1.00 11.24 H new ATOM 212 N ASP A 14 16.388 1.079 -4.001 1.00 12.44 N ATOM 213 CA ASP A 14 16.220 0.738 -5.411 1.00 31.01 C ATOM 214 C ASP A 14 14.798 0.235 -5.713 1.00 5.12 C ATOM 215 O ASP A 14 14.586 -0.578 -6.618 1.00 30.51 O ATOM 216 CB ASP A 14 17.350 -0.214 -5.850 1.00 10.32 C ATOM 217 CG ASP A 14 18.204 0.370 -6.977 1.00 45.35 C ATOM 218 OD1 ASP A 14 17.664 0.977 -7.931 1.00 1.43 O ATOM 219 OD2 ASP A 14 19.448 0.237 -6.904 1.00 24.11 O ATOM 0 H ASP A 14 16.666 0.283 -3.427 1.00 12.44 H new ATOM 0 HA ASP A 14 16.316 1.635 -6.022 1.00 31.01 H new ATOM 0 HB2 ASP A 14 17.987 -0.436 -4.994 1.00 10.32 H new ATOM 0 HB3 ASP A 14 16.917 -1.159 -6.179 1.00 10.32 H new ATOM 224 N ILE A 15 13.817 0.641 -4.896 1.00 45.45 N ATOM 225 CA ILE A 15 12.410 0.289 -5.045 1.00 34.14 C ATOM 226 C ILE A 15 11.912 0.642 -6.457 1.00 42.23 C ATOM 227 O ILE A 15 12.232 1.708 -6.985 1.00 35.32 O ATOM 228 CB ILE A 15 11.584 0.960 -3.924 1.00 61.12 C ATOM 229 CG1 ILE A 15 10.097 0.561 -3.985 1.00 72.12 C ATOM 230 CG2 ILE A 15 11.708 2.495 -3.928 1.00 25.04 C ATOM 231 CD1 ILE A 15 9.813 -0.905 -3.674 1.00 75.11 C ATOM 0 H ILE A 15 13.992 1.242 -4.090 1.00 45.45 H new ATOM 0 HA ILE A 15 12.283 -0.788 -4.937 1.00 34.14 H new ATOM 0 HB ILE A 15 12.010 0.591 -2.991 1.00 61.12 H new ATOM 0 HG12 ILE A 15 9.540 1.181 -3.282 1.00 72.12 H new ATOM 0 HG13 ILE A 15 9.716 0.787 -4.981 1.00 72.12 H new ATOM 0 HG21 ILE A 15 11.107 2.911 -3.119 1.00 25.04 H new ATOM 0 HG22 ILE A 15 12.751 2.776 -3.786 1.00 25.04 H new ATOM 0 HG23 ILE A 15 11.354 2.886 -4.882 1.00 25.04 H new ATOM 0 HD11 ILE A 15 8.741 -1.090 -3.742 1.00 75.11 H new ATOM 0 HD12 ILE A 15 10.337 -1.537 -4.391 1.00 75.11 H new ATOM 0 HD13 ILE A 15 10.158 -1.137 -2.666 1.00 75.11 H new ATOM 243 N THR A 16 11.091 -0.220 -7.051 1.00 73.24 N ATOM 244 CA THR A 16 10.525 -0.041 -8.379 1.00 43.12 C ATOM 245 C THR A 16 9.006 -0.139 -8.273 1.00 73.44 C ATOM 246 O THR A 16 8.486 -0.836 -7.399 1.00 22.32 O ATOM 247 CB THR A 16 11.199 -1.028 -9.350 1.00 31.45 C ATOM 248 OG1 THR A 16 11.348 -2.309 -8.763 1.00 2.44 O ATOM 249 CG2 THR A 16 12.605 -0.542 -9.709 1.00 72.24 C ATOM 0 H THR A 16 10.794 -1.088 -6.605 1.00 73.24 H new ATOM 0 HA THR A 16 10.726 0.945 -8.798 1.00 43.12 H new ATOM 0 HB THR A 16 10.561 -1.087 -10.232 1.00 31.45 H new ATOM 0 HG1 THR A 16 11.777 -2.914 -9.403 1.00 2.44 H new ATOM 0 HG21 THR A 16 13.070 -1.249 -10.396 1.00 72.24 H new ATOM 0 HG22 THR A 16 12.541 0.437 -10.184 1.00 72.24 H new ATOM 0 HG23 THR A 16 13.207 -0.467 -8.803 1.00 72.24 H new ATOM 257 N ALA A 17 8.280 0.591 -9.122 1.00 0.53 N ATOM 258 CA ALA A 17 6.822 0.581 -9.102 1.00 1.44 C ATOM 259 C ALA A 17 6.278 -0.817 -9.387 1.00 55.15 C ATOM 260 O ALA A 17 5.222 -1.161 -8.861 1.00 23.35 O ATOM 261 CB ALA A 17 6.284 1.589 -10.116 1.00 21.43 C ATOM 0 H ALA A 17 8.684 1.199 -9.835 1.00 0.53 H new ATOM 0 HA ALA A 17 6.486 0.868 -8.106 1.00 1.44 H new ATOM 0 HB1 ALA A 17 5.194 1.578 -10.097 1.00 21.43 H new ATOM 0 HB2 ALA A 17 6.641 2.587 -9.862 1.00 21.43 H new ATOM 0 HB3 ALA A 17 6.632 1.323 -11.114 1.00 21.43 H new ATOM 267 N VAL A 18 6.990 -1.638 -10.166 1.00 52.43 N ATOM 268 CA VAL A 18 6.541 -2.992 -10.472 1.00 52.42 C ATOM 269 C VAL A 18 6.438 -3.802 -9.186 1.00 24.14 C ATOM 270 O VAL A 18 5.523 -4.617 -9.059 1.00 61.24 O ATOM 271 CB VAL A 18 7.447 -3.674 -11.529 1.00 1.31 C ATOM 272 CG1 VAL A 18 8.913 -3.813 -11.088 1.00 53.25 C ATOM 273 CG2 VAL A 18 6.937 -5.075 -11.913 1.00 12.02 C ATOM 0 H VAL A 18 7.880 -1.384 -10.595 1.00 52.43 H new ATOM 0 HA VAL A 18 5.549 -2.940 -10.920 1.00 52.42 H new ATOM 0 HB VAL A 18 7.402 -3.005 -12.388 1.00 1.31 H new ATOM 0 HG11 VAL A 18 9.486 -4.299 -11.878 1.00 53.25 H new ATOM 0 HG12 VAL A 18 9.329 -2.825 -10.893 1.00 53.25 H new ATOM 0 HG13 VAL A 18 8.964 -4.414 -10.180 1.00 53.25 H new ATOM 0 HG21 VAL A 18 7.603 -5.514 -12.656 1.00 12.02 H new ATOM 0 HG22 VAL A 18 6.914 -5.709 -11.027 1.00 12.02 H new ATOM 0 HG23 VAL A 18 5.932 -4.995 -12.329 1.00 12.02 H new ATOM 283 N GLU A 19 7.357 -3.588 -8.245 1.00 11.33 N ATOM 284 CA GLU A 19 7.372 -4.301 -6.982 1.00 22.24 C ATOM 285 C GLU A 19 6.185 -3.853 -6.157 1.00 70.44 C ATOM 286 O GLU A 19 5.480 -4.681 -5.599 1.00 31.31 O ATOM 287 CB GLU A 19 8.675 -3.971 -6.257 1.00 1.34 C ATOM 288 CG GLU A 19 9.879 -4.532 -7.017 1.00 74.42 C ATOM 289 CD GLU A 19 10.082 -6.035 -6.836 1.00 61.44 C ATOM 290 OE1 GLU A 19 9.413 -6.658 -5.982 1.00 4.33 O ATOM 291 OE2 GLU A 19 10.983 -6.558 -7.525 1.00 22.40 O ATOM 0 H GLU A 19 8.113 -2.910 -8.344 1.00 11.33 H new ATOM 0 HA GLU A 19 7.309 -5.377 -7.142 1.00 22.24 H new ATOM 0 HB2 GLU A 19 8.776 -2.890 -6.155 1.00 1.34 H new ATOM 0 HB3 GLU A 19 8.650 -4.386 -5.249 1.00 1.34 H new ATOM 0 HG2 GLU A 19 9.758 -4.317 -8.079 1.00 74.42 H new ATOM 0 HG3 GLU A 19 10.778 -4.012 -6.687 1.00 74.42 H new ATOM 298 N LEU A 20 5.945 -2.544 -6.114 1.00 63.55 N ATOM 299 CA LEU A 20 4.849 -1.959 -5.367 1.00 75.22 C ATOM 300 C LEU A 20 3.512 -2.481 -5.872 1.00 30.54 C ATOM 301 O LEU A 20 2.733 -3.022 -5.090 1.00 62.24 O ATOM 302 CB LEU A 20 4.927 -0.431 -5.447 1.00 11.50 C ATOM 303 CG LEU A 20 6.177 0.137 -4.760 1.00 32.20 C ATOM 304 CD1 LEU A 20 6.122 1.657 -4.767 1.00 50.33 C ATOM 305 CD2 LEU A 20 6.307 -0.331 -3.312 1.00 52.32 C ATOM 0 H LEU A 20 6.517 -1.857 -6.605 1.00 63.55 H new ATOM 0 HA LEU A 20 4.933 -2.251 -4.320 1.00 75.22 H new ATOM 0 HB2 LEU A 20 4.923 -0.126 -6.493 1.00 11.50 H new ATOM 0 HB3 LEU A 20 4.038 -0.002 -4.986 1.00 11.50 H new ATOM 0 HG LEU A 20 7.039 -0.227 -5.319 1.00 32.20 H new ATOM 0 HD11 LEU A 20 7.011 2.056 -4.278 1.00 50.33 H new ATOM 0 HD12 LEU A 20 6.082 2.015 -5.796 1.00 50.33 H new ATOM 0 HD13 LEU A 20 5.233 1.991 -4.232 1.00 50.33 H new ATOM 0 HD21 LEU A 20 7.207 0.098 -2.870 1.00 52.32 H new ATOM 0 HD22 LEU A 20 5.434 -0.007 -2.745 1.00 52.32 H new ATOM 0 HD23 LEU A 20 6.373 -1.419 -3.286 1.00 52.32 H new ATOM 317 N GLN A 21 3.244 -2.353 -7.172 1.00 45.11 N ATOM 318 CA GLN A 21 1.997 -2.812 -7.748 1.00 40.23 C ATOM 319 C GLN A 21 1.853 -4.313 -7.513 1.00 71.11 C ATOM 320 O GLN A 21 0.771 -4.772 -7.180 1.00 23.34 O ATOM 321 CB GLN A 21 1.952 -2.435 -9.238 1.00 53.42 C ATOM 322 CG GLN A 21 1.944 -0.903 -9.432 1.00 34.24 C ATOM 323 CD GLN A 21 0.893 -0.373 -10.408 1.00 20.15 C ATOM 324 OE1 GLN A 21 -0.169 -0.957 -10.591 1.00 73.21 O ATOM 325 NE2 GLN A 21 1.149 0.777 -11.001 1.00 5.41 N ATOM 0 H GLN A 21 3.885 -1.931 -7.844 1.00 45.11 H new ATOM 0 HA GLN A 21 1.148 -2.327 -7.267 1.00 40.23 H new ATOM 0 HB2 GLN A 21 2.814 -2.863 -9.749 1.00 53.42 H new ATOM 0 HB3 GLN A 21 1.062 -2.866 -9.697 1.00 53.42 H new ATOM 0 HG2 GLN A 21 1.786 -0.431 -8.462 1.00 34.24 H new ATOM 0 HG3 GLN A 21 2.929 -0.592 -9.781 1.00 34.24 H new ATOM 0 HE21 GLN A 21 2.038 1.249 -10.837 1.00 5.41 H new ATOM 0 HE22 GLN A 21 0.458 1.195 -11.624 1.00 5.41 H new ATOM 334 N ASN A 22 2.928 -5.091 -7.668 1.00 43.14 N ATOM 335 CA ASN A 22 2.879 -6.534 -7.466 1.00 45.22 C ATOM 336 C ASN A 22 2.646 -6.922 -6.004 1.00 64.21 C ATOM 337 O ASN A 22 1.871 -7.837 -5.742 1.00 0.05 O ATOM 338 CB ASN A 22 4.187 -7.170 -7.951 1.00 62.11 C ATOM 339 CG ASN A 22 4.240 -8.634 -7.553 1.00 32.33 C ATOM 340 OD1 ASN A 22 3.503 -9.448 -8.091 1.00 22.10 O ATOM 341 ND2 ASN A 22 5.107 -8.987 -6.627 1.00 3.25 N ATOM 0 H ASN A 22 3.847 -4.738 -7.935 1.00 43.14 H new ATOM 0 HA ASN A 22 2.032 -6.905 -8.043 1.00 45.22 H new ATOM 0 HB2 ASN A 22 4.265 -7.078 -9.034 1.00 62.11 H new ATOM 0 HB3 ASN A 22 5.038 -6.639 -7.524 1.00 62.11 H new ATOM 0 HD21 ASN A 22 5.177 -9.963 -6.340 1.00 3.25 H new ATOM 0 HD22 ASN A 22 5.708 -8.284 -6.197 1.00 3.25 H new ATOM 348 N HIS A 23 3.260 -6.253 -5.031 1.00 1.41 N ATOM 349 CA HIS A 23 3.063 -6.623 -3.633 1.00 12.22 C ATOM 350 C HIS A 23 1.643 -6.365 -3.141 1.00 70.03 C ATOM 351 O HIS A 23 1.198 -7.024 -2.203 1.00 52.11 O ATOM 352 CB HIS A 23 4.107 -5.983 -2.714 1.00 64.52 C ATOM 353 CG HIS A 23 4.919 -7.066 -2.060 1.00 45.32 C ATOM 354 ND1 HIS A 23 6.231 -7.410 -2.390 1.00 11.41 N ATOM 355 CD2 HIS A 23 4.426 -7.980 -1.179 1.00 22.23 C ATOM 356 CE1 HIS A 23 6.504 -8.524 -1.691 1.00 20.10 C ATOM 357 NE2 HIS A 23 5.441 -8.878 -0.947 1.00 45.20 N ATOM 0 H HIS A 23 3.889 -5.464 -5.181 1.00 1.41 H new ATOM 0 HA HIS A 23 3.210 -7.702 -3.588 1.00 12.22 H new ATOM 0 HB2 HIS A 23 4.756 -5.321 -3.287 1.00 64.52 H new ATOM 0 HB3 HIS A 23 3.616 -5.372 -1.956 1.00 64.52 H new ATOM 0 HD2 HIS A 23 3.436 -7.996 -0.749 1.00 22.23 H new ATOM 0 HE1 HIS A 23 7.442 -9.058 -1.722 1.00 20.10 H new ATOM 0 HE2 HIS A 23 5.395 -9.678 -0.316 1.00 45.20 H new ATOM 365 N PHE A 24 0.906 -5.463 -3.791 1.00 44.14 N ATOM 366 CA PHE A 24 -0.470 -5.129 -3.443 1.00 72.23 C ATOM 367 C PHE A 24 -1.451 -5.585 -4.529 1.00 11.52 C ATOM 368 O PHE A 24 -2.647 -5.320 -4.405 1.00 4.24 O ATOM 369 CB PHE A 24 -0.563 -3.633 -3.124 1.00 4.51 C ATOM 370 CG PHE A 24 0.308 -3.225 -1.950 1.00 65.20 C ATOM 371 CD1 PHE A 24 -0.018 -3.641 -0.645 1.00 43.23 C ATOM 372 CD2 PHE A 24 1.460 -2.447 -2.160 1.00 25.50 C ATOM 373 CE1 PHE A 24 0.803 -3.273 0.436 1.00 21.14 C ATOM 374 CE2 PHE A 24 2.281 -2.076 -1.086 1.00 42.53 C ATOM 375 CZ PHE A 24 1.954 -2.496 0.216 1.00 63.45 C ATOM 0 H PHE A 24 1.259 -4.935 -4.590 1.00 44.14 H new ATOM 0 HA PHE A 24 -0.765 -5.674 -2.547 1.00 72.23 H new ATOM 0 HB2 PHE A 24 -0.270 -3.060 -4.004 1.00 4.51 H new ATOM 0 HB3 PHE A 24 -1.600 -3.376 -2.907 1.00 4.51 H new ATOM 0 HD1 PHE A 24 -0.898 -4.243 -0.474 1.00 43.23 H new ATOM 0 HD2 PHE A 24 1.716 -2.131 -3.161 1.00 25.50 H new ATOM 0 HE1 PHE A 24 0.549 -3.588 1.437 1.00 21.14 H new ATOM 0 HE2 PHE A 24 3.159 -1.471 -1.257 1.00 42.53 H new ATOM 0 HZ PHE A 24 2.587 -2.222 1.047 1.00 63.45 H new ATOM 385 N LYS A 25 -0.994 -6.310 -5.556 1.00 64.40 N ATOM 386 CA LYS A 25 -1.806 -6.796 -6.677 1.00 74.13 C ATOM 387 C LYS A 25 -3.044 -7.554 -6.208 1.00 73.25 C ATOM 388 O LYS A 25 -4.123 -7.336 -6.759 1.00 3.42 O ATOM 389 CB LYS A 25 -0.934 -7.618 -7.651 1.00 12.32 C ATOM 390 CG LYS A 25 -0.769 -6.981 -9.037 1.00 74.54 C ATOM 391 CD LYS A 25 -2.006 -7.134 -9.924 1.00 14.10 C ATOM 392 CE LYS A 25 -1.822 -6.335 -11.218 1.00 71.33 C ATOM 393 NZ LYS A 25 -2.028 -4.890 -11.015 1.00 50.12 N ATOM 0 H LYS A 25 -0.014 -6.584 -5.632 1.00 64.40 H new ATOM 0 HA LYS A 25 -2.186 -5.932 -7.223 1.00 74.13 H new ATOM 0 HB2 LYS A 25 0.052 -7.758 -7.208 1.00 12.32 H new ATOM 0 HB3 LYS A 25 -1.375 -8.608 -7.768 1.00 12.32 H new ATOM 0 HG2 LYS A 25 -0.545 -5.921 -8.918 1.00 74.54 H new ATOM 0 HG3 LYS A 25 0.087 -7.434 -9.538 1.00 74.54 H new ATOM 0 HD2 LYS A 25 -2.170 -8.186 -10.156 1.00 14.10 H new ATOM 0 HD3 LYS A 25 -2.891 -6.783 -9.393 1.00 14.10 H new ATOM 0 HE2 LYS A 25 -0.819 -6.506 -11.609 1.00 71.33 H new ATOM 0 HE3 LYS A 25 -2.523 -6.698 -11.970 1.00 71.33 H new ATOM 0 HZ1 LYS A 25 -2.011 -4.404 -11.934 1.00 50.12 H new ATOM 0 HZ2 LYS A 25 -2.948 -4.732 -10.557 1.00 50.12 H new ATOM 0 HZ3 LYS A 25 -1.271 -4.513 -10.410 1.00 50.12 H new ATOM 407 N ASN A 26 -2.924 -8.403 -5.183 1.00 14.53 N ATOM 408 CA ASN A 26 -4.049 -9.165 -4.632 1.00 50.01 C ATOM 409 C ASN A 26 -5.138 -8.184 -4.169 1.00 12.13 C ATOM 410 O ASN A 26 -6.289 -8.240 -4.615 1.00 21.24 O ATOM 411 CB ASN A 26 -3.532 -10.053 -3.487 1.00 25.44 C ATOM 412 CG ASN A 26 -4.570 -10.993 -2.888 1.00 3.23 C ATOM 413 OD1 ASN A 26 -5.761 -10.928 -3.171 1.00 72.22 O ATOM 414 ND2 ASN A 26 -4.133 -11.907 -2.044 1.00 5.14 N ATOM 0 H ASN A 26 -2.039 -8.582 -4.709 1.00 14.53 H new ATOM 0 HA ASN A 26 -4.493 -9.817 -5.384 1.00 50.01 H new ATOM 0 HB2 ASN A 26 -2.695 -10.646 -3.856 1.00 25.44 H new ATOM 0 HB3 ASN A 26 -3.144 -9.412 -2.696 1.00 25.44 H new ATOM 0 HD21 ASN A 26 -4.787 -12.566 -1.622 1.00 5.14 H new ATOM 0 HD22 ASN A 26 -3.141 -11.955 -1.813 1.00 5.14 H new ATOM 421 N SER A 27 -4.752 -7.234 -3.314 1.00 64.31 N ATOM 422 CA SER A 27 -5.630 -6.199 -2.769 1.00 64.42 C ATOM 423 C SER A 27 -6.130 -5.219 -3.846 1.00 34.42 C ATOM 424 O SER A 27 -7.180 -4.613 -3.671 1.00 5.31 O ATOM 425 CB SER A 27 -4.896 -5.458 -1.634 1.00 53.05 C ATOM 426 OG SER A 27 -3.488 -5.418 -1.824 1.00 53.45 O ATOM 0 H SER A 27 -3.793 -7.163 -2.973 1.00 64.31 H new ATOM 0 HA SER A 27 -6.521 -6.684 -2.371 1.00 64.42 H new ATOM 0 HB2 SER A 27 -5.278 -4.439 -1.564 1.00 53.05 H new ATOM 0 HB3 SER A 27 -5.116 -5.947 -0.685 1.00 53.05 H new ATOM 0 HG SER A 27 -3.290 -5.290 -2.775 1.00 53.45 H new ATOM 432 N SER A 28 -5.422 -5.105 -4.974 1.00 13.15 N ATOM 433 CA SER A 28 -5.707 -4.238 -6.108 1.00 63.41 C ATOM 434 C SER A 28 -5.960 -2.775 -5.682 1.00 62.30 C ATOM 435 O SER A 28 -7.111 -2.329 -5.605 1.00 41.31 O ATOM 436 CB SER A 28 -6.810 -4.857 -6.975 1.00 51.51 C ATOM 437 OG SER A 28 -6.704 -4.395 -8.309 1.00 5.43 O ATOM 0 H SER A 28 -4.577 -5.657 -5.123 1.00 13.15 H new ATOM 0 HA SER A 28 -4.821 -4.171 -6.739 1.00 63.41 H new ATOM 0 HB2 SER A 28 -6.733 -5.944 -6.952 1.00 51.51 H new ATOM 0 HB3 SER A 28 -7.788 -4.598 -6.570 1.00 51.51 H new ATOM 0 HG SER A 28 -7.413 -4.799 -8.852 1.00 5.43 H new ATOM 443 N PRO A 29 -4.889 -2.010 -5.387 1.00 12.11 N ATOM 444 CA PRO A 29 -4.991 -0.611 -4.988 1.00 14.55 C ATOM 445 C PRO A 29 -5.462 0.248 -6.159 1.00 72.02 C ATOM 446 O PRO A 29 -5.489 -0.197 -7.309 1.00 62.21 O ATOM 447 CB PRO A 29 -3.586 -0.211 -4.525 1.00 70.43 C ATOM 448 CG PRO A 29 -2.695 -1.103 -5.384 1.00 23.42 C ATOM 449 CD PRO A 29 -3.488 -2.403 -5.432 1.00 40.23 C ATOM 0 HA PRO A 29 -5.722 -0.465 -4.192 1.00 14.55 H new ATOM 0 HB2 PRO A 29 -3.387 0.847 -4.695 1.00 70.43 H new ATOM 0 HB3 PRO A 29 -3.441 -0.395 -3.461 1.00 70.43 H new ATOM 0 HG2 PRO A 29 -2.539 -0.685 -6.378 1.00 23.42 H new ATOM 0 HG3 PRO A 29 -1.710 -1.244 -4.939 1.00 23.42 H new ATOM 0 HD2 PRO A 29 -3.267 -2.963 -6.341 1.00 40.23 H new ATOM 0 HD3 PRO A 29 -3.235 -3.048 -4.590 1.00 40.23 H new ATOM 457 N ASP A 30 -5.829 1.489 -5.876 1.00 1.13 N ATOM 458 CA ASP A 30 -6.297 2.451 -6.856 1.00 61.42 C ATOM 459 C ASP A 30 -5.137 3.319 -7.328 1.00 21.00 C ATOM 460 O ASP A 30 -5.093 3.738 -8.488 1.00 14.45 O ATOM 461 CB ASP A 30 -7.412 3.310 -6.261 1.00 21.23 C ATOM 462 CG ASP A 30 -8.001 4.163 -7.369 1.00 12.33 C ATOM 463 OD1 ASP A 30 -8.571 3.562 -8.311 1.00 65.43 O ATOM 464 OD2 ASP A 30 -7.819 5.398 -7.336 1.00 31.23 O ATOM 0 H ASP A 30 -5.808 1.863 -4.927 1.00 1.13 H new ATOM 0 HA ASP A 30 -6.701 1.917 -7.716 1.00 61.42 H new ATOM 0 HB2 ASP A 30 -8.182 2.679 -5.818 1.00 21.23 H new ATOM 0 HB3 ASP A 30 -7.020 3.941 -5.464 1.00 21.23 H new ATOM 469 N GLN A 31 -4.168 3.570 -6.443 1.00 44.35 N ATOM 470 CA GLN A 31 -2.985 4.360 -6.740 1.00 14.42 C ATOM 471 C GLN A 31 -1.787 3.811 -5.964 1.00 61.23 C ATOM 472 O GLN A 31 -1.959 3.091 -4.981 1.00 55.51 O ATOM 473 CB GLN A 31 -3.229 5.849 -6.408 1.00 35.12 C ATOM 474 CG GLN A 31 -3.022 6.798 -7.601 1.00 52.02 C ATOM 475 CD GLN A 31 -4.320 7.460 -8.063 1.00 44.10 C ATOM 476 OE1 GLN A 31 -4.449 8.681 -8.017 1.00 42.42 O ATOM 477 NE2 GLN A 31 -5.288 6.695 -8.522 1.00 31.30 N ATOM 0 H GLN A 31 -4.191 3.221 -5.485 1.00 44.35 H new ATOM 0 HA GLN A 31 -2.768 4.290 -7.806 1.00 14.42 H new ATOM 0 HB2 GLN A 31 -4.247 5.966 -6.036 1.00 35.12 H new ATOM 0 HB3 GLN A 31 -2.559 6.145 -5.601 1.00 35.12 H new ATOM 0 HG2 GLN A 31 -2.304 7.570 -7.325 1.00 52.02 H new ATOM 0 HG3 GLN A 31 -2.588 6.241 -8.431 1.00 52.02 H new ATOM 0 HE21 GLN A 31 -5.166 5.683 -8.554 1.00 31.30 H new ATOM 0 HE22 GLN A 31 -6.160 7.114 -8.846 1.00 31.30 H new ATOM 486 N ILE A 32 -0.579 4.160 -6.412 1.00 73.25 N ATOM 487 CA ILE A 32 0.706 3.772 -5.842 1.00 54.53 C ATOM 488 C ILE A 32 1.555 5.036 -5.932 1.00 10.42 C ATOM 489 O ILE A 32 1.953 5.423 -7.034 1.00 53.54 O ATOM 490 CB ILE A 32 1.327 2.591 -6.633 1.00 71.14 C ATOM 491 CG1 ILE A 32 0.557 1.265 -6.428 1.00 70.33 C ATOM 492 CG2 ILE A 32 2.796 2.351 -6.244 1.00 10.34 C ATOM 493 CD1 ILE A 32 -0.483 0.979 -7.515 1.00 73.23 C ATOM 0 H ILE A 32 -0.469 4.757 -7.232 1.00 73.25 H new ATOM 0 HA ILE A 32 0.625 3.415 -4.815 1.00 54.53 H new ATOM 0 HB ILE A 32 1.261 2.886 -7.680 1.00 71.14 H new ATOM 0 HG12 ILE A 32 1.271 0.442 -6.396 1.00 70.33 H new ATOM 0 HG13 ILE A 32 0.058 1.292 -5.459 1.00 70.33 H new ATOM 0 HG21 ILE A 32 3.193 1.516 -6.821 1.00 10.34 H new ATOM 0 HG22 ILE A 32 3.379 3.247 -6.455 1.00 10.34 H new ATOM 0 HG23 ILE A 32 2.858 2.120 -5.181 1.00 10.34 H new ATOM 0 HD11 ILE A 32 -0.981 0.033 -7.302 1.00 73.23 H new ATOM 0 HD12 ILE A 32 -1.221 1.781 -7.533 1.00 73.23 H new ATOM 0 HD13 ILE A 32 0.011 0.919 -8.485 1.00 73.23 H new ATOM 505 N ARG A 33 1.821 5.711 -4.813 1.00 54.22 N ATOM 506 CA ARG A 33 2.611 6.938 -4.786 1.00 22.34 C ATOM 507 C ARG A 33 3.848 6.670 -3.939 1.00 11.55 C ATOM 508 O ARG A 33 3.750 6.621 -2.715 1.00 13.12 O ATOM 509 CB ARG A 33 1.697 8.077 -4.295 1.00 75.53 C ATOM 510 CG ARG A 33 2.183 9.455 -4.756 1.00 61.03 C ATOM 511 CD ARG A 33 1.026 10.437 -4.993 1.00 34.24 C ATOM 512 NE ARG A 33 0.352 10.858 -3.751 1.00 51.31 N ATOM 513 CZ ARG A 33 -0.705 11.681 -3.691 1.00 4.14 C ATOM 514 NH1 ARG A 33 -1.306 12.101 -4.800 1.00 2.44 N ATOM 515 NH2 ARG A 33 -1.137 12.077 -2.501 1.00 53.41 N ATOM 0 H ARG A 33 1.491 5.417 -3.894 1.00 54.22 H new ATOM 0 HA ARG A 33 2.978 7.254 -5.762 1.00 22.34 H new ATOM 0 HB2 ARG A 33 0.684 7.910 -4.662 1.00 75.53 H new ATOM 0 HB3 ARG A 33 1.649 8.057 -3.206 1.00 75.53 H new ATOM 0 HG2 ARG A 33 2.858 9.868 -4.007 1.00 61.03 H new ATOM 0 HG3 ARG A 33 2.757 9.345 -5.676 1.00 61.03 H new ATOM 0 HD2 ARG A 33 1.407 11.319 -5.508 1.00 34.24 H new ATOM 0 HD3 ARG A 33 0.295 9.973 -5.655 1.00 34.24 H new ATOM 0 HE ARG A 33 0.718 10.496 -2.870 1.00 51.31 H new ATOM 0 HH11 ARG A 33 -0.964 11.797 -5.712 1.00 2.44 H new ATOM 0 HH12 ARG A 33 -2.109 12.727 -4.739 1.00 2.44 H new ATOM 0 HH21 ARG A 33 -0.667 11.756 -1.655 1.00 53.41 H new ATOM 0 HH22 ARG A 33 -1.939 12.703 -2.432 1.00 53.41 H new ATOM 529 N LEU A 34 5.000 6.486 -4.588 1.00 22.20 N ATOM 530 CA LEU A 34 6.291 6.190 -3.962 1.00 74.22 C ATOM 531 C LEU A 34 7.067 7.481 -3.698 1.00 32.40 C ATOM 532 O LEU A 34 7.260 8.276 -4.617 1.00 75.41 O ATOM 533 CB LEU A 34 7.041 5.185 -4.877 1.00 35.54 C ATOM 534 CG LEU A 34 8.428 4.651 -4.439 1.00 23.35 C ATOM 535 CD1 LEU A 34 9.549 5.580 -4.908 1.00 21.40 C ATOM 536 CD2 LEU A 34 8.518 4.470 -2.926 1.00 45.13 C ATOM 0 H LEU A 34 5.062 6.541 -5.605 1.00 22.20 H new ATOM 0 HA LEU A 34 6.164 5.727 -2.983 1.00 74.22 H new ATOM 0 HB2 LEU A 34 6.389 4.324 -5.021 1.00 35.54 H new ATOM 0 HB3 LEU A 34 7.165 5.658 -5.851 1.00 35.54 H new ATOM 0 HG LEU A 34 8.549 3.675 -4.910 1.00 23.35 H new ATOM 0 HD11 LEU A 34 10.511 5.181 -4.587 1.00 21.40 H new ATOM 0 HD12 LEU A 34 9.531 5.652 -5.995 1.00 21.40 H new ATOM 0 HD13 LEU A 34 9.405 6.571 -4.477 1.00 21.40 H new ATOM 0 HD21 LEU A 34 9.507 4.094 -2.663 1.00 45.13 H new ATOM 0 HD22 LEU A 34 8.351 5.428 -2.434 1.00 45.13 H new ATOM 0 HD23 LEU A 34 7.760 3.758 -2.599 1.00 45.13 H new ATOM 548 N ARG A 35 7.479 7.713 -2.445 1.00 73.32 N ATOM 549 CA ARG A 35 8.252 8.865 -1.980 1.00 61.24 C ATOM 550 C ARG A 35 9.583 8.349 -1.422 1.00 22.44 C ATOM 551 O ARG A 35 9.763 8.192 -0.208 1.00 53.42 O ATOM 552 CB ARG A 35 7.445 9.719 -0.971 1.00 43.34 C ATOM 553 CG ARG A 35 6.832 10.994 -1.577 1.00 62.14 C ATOM 554 CD ARG A 35 7.909 12.036 -1.930 1.00 11.21 C ATOM 555 NE ARG A 35 7.327 13.336 -2.300 1.00 74.23 N ATOM 556 CZ ARG A 35 7.993 14.469 -2.539 1.00 53.43 C ATOM 557 NH1 ARG A 35 9.312 14.497 -2.686 1.00 12.35 N ATOM 558 NH2 ARG A 35 7.324 15.605 -2.648 1.00 11.14 N ATOM 0 H ARG A 35 7.268 7.063 -1.688 1.00 73.32 H new ATOM 0 HA ARG A 35 8.466 9.543 -2.806 1.00 61.24 H new ATOM 0 HB2 ARG A 35 6.646 9.108 -0.552 1.00 43.34 H new ATOM 0 HB3 ARG A 35 8.098 10.000 -0.145 1.00 43.34 H new ATOM 0 HG2 ARG A 35 6.269 10.735 -2.474 1.00 62.14 H new ATOM 0 HG3 ARG A 35 6.124 11.428 -0.871 1.00 62.14 H new ATOM 0 HD2 ARG A 35 8.577 12.168 -1.079 1.00 11.21 H new ATOM 0 HD3 ARG A 35 8.515 11.663 -2.756 1.00 11.21 H new ATOM 0 HE ARG A 35 6.311 13.376 -2.382 1.00 74.23 H new ATOM 0 HH11 ARG A 35 9.851 13.634 -2.617 1.00 12.35 H new ATOM 0 HH12 ARG A 35 9.786 15.382 -2.868 1.00 12.35 H new ATOM 0 HH21 ARG A 35 6.309 15.610 -2.550 1.00 11.14 H new ATOM 0 HH22 ARG A 35 7.823 16.475 -2.830 1.00 11.14 H new ATOM 572 N ALA A 36 10.536 8.058 -2.311 1.00 1.31 N ATOM 573 CA ALA A 36 11.870 7.577 -1.955 1.00 72.22 C ATOM 574 C ALA A 36 12.626 8.611 -1.111 1.00 12.31 C ATOM 575 O ALA A 36 13.551 8.244 -0.386 1.00 41.50 O ATOM 576 CB ALA A 36 12.669 7.221 -3.206 1.00 65.25 C ATOM 0 H ALA A 36 10.398 8.152 -3.317 1.00 1.31 H new ATOM 0 HA ALA A 36 11.748 6.676 -1.354 1.00 72.22 H new ATOM 0 HB1 ALA A 36 13.658 6.866 -2.917 1.00 65.25 H new ATOM 0 HB2 ALA A 36 12.149 6.439 -3.759 1.00 65.25 H new ATOM 0 HB3 ALA A 36 12.771 8.104 -3.836 1.00 65.25 H new ATOM 582 N ASP A 37 12.176 9.871 -1.115 1.00 4.53 N ATOM 583 CA ASP A 37 12.727 10.999 -0.359 1.00 65.14 C ATOM 584 C ASP A 37 12.866 10.618 1.118 1.00 23.44 C ATOM 585 O ASP A 37 13.778 11.073 1.800 1.00 33.14 O ATOM 586 CB ASP A 37 11.763 12.190 -0.444 1.00 13.05 C ATOM 587 CG ASP A 37 11.807 12.987 -1.746 1.00 4.12 C ATOM 588 OD1 ASP A 37 11.311 12.482 -2.781 1.00 21.13 O ATOM 589 OD2 ASP A 37 12.132 14.193 -1.715 1.00 40.22 O ATOM 0 H ASP A 37 11.371 10.145 -1.679 1.00 4.53 H new ATOM 0 HA ASP A 37 13.700 11.257 -0.778 1.00 65.14 H new ATOM 0 HB2 ASP A 37 10.747 11.822 -0.299 1.00 13.05 H new ATOM 0 HB3 ASP A 37 11.978 12.867 0.382 1.00 13.05 H new ATOM 594 N LYS A 38 11.952 9.772 1.612 1.00 23.11 N ATOM 595 CA LYS A 38 11.900 9.252 2.978 1.00 45.12 C ATOM 596 C LYS A 38 11.831 7.720 2.990 1.00 2.10 C ATOM 597 O LYS A 38 12.013 7.119 4.051 1.00 10.13 O ATOM 598 CB LYS A 38 10.709 9.875 3.723 1.00 50.20 C ATOM 599 CG LYS A 38 10.881 11.329 4.196 1.00 44.03 C ATOM 600 CD LYS A 38 11.901 11.477 5.334 1.00 64.42 C ATOM 601 CE LYS A 38 13.301 11.800 4.808 1.00 31.44 C ATOM 602 NZ LYS A 38 14.346 11.497 5.800 1.00 15.13 N ATOM 0 H LYS A 38 11.190 9.415 1.036 1.00 23.11 H new ATOM 0 HA LYS A 38 12.818 9.531 3.495 1.00 45.12 H new ATOM 0 HB2 LYS A 38 9.837 9.829 3.071 1.00 50.20 H new ATOM 0 HB3 LYS A 38 10.489 9.257 4.593 1.00 50.20 H new ATOM 0 HG2 LYS A 38 11.195 11.944 3.353 1.00 44.03 H new ATOM 0 HG3 LYS A 38 9.917 11.713 4.529 1.00 44.03 H new ATOM 0 HD2 LYS A 38 11.577 12.267 6.011 1.00 64.42 H new ATOM 0 HD3 LYS A 38 11.935 10.554 5.913 1.00 64.42 H new ATOM 0 HE2 LYS A 38 13.488 11.229 3.899 1.00 31.44 H new ATOM 0 HE3 LYS A 38 13.352 12.855 4.538 1.00 31.44 H new ATOM 0 HZ1 LYS A 38 15.279 11.730 5.404 1.00 15.13 H new ATOM 0 HZ2 LYS A 38 14.184 12.061 6.659 1.00 15.13 H new ATOM 0 HZ3 LYS A 38 14.315 10.485 6.039 1.00 15.13 H new ATOM 616 N GLY A 39 11.629 7.074 1.838 1.00 60.44 N ATOM 617 CA GLY A 39 11.525 5.623 1.729 1.00 75.13 C ATOM 618 C GLY A 39 10.151 5.173 2.193 1.00 42.55 C ATOM 619 O GLY A 39 10.022 4.133 2.831 1.00 73.31 O ATOM 0 H GLY A 39 11.532 7.555 0.944 1.00 60.44 H new ATOM 0 HA2 GLY A 39 11.691 5.313 0.697 1.00 75.13 H new ATOM 0 HA3 GLY A 39 12.298 5.147 2.333 1.00 75.13 H new ATOM 623 N ILE A 40 9.128 5.965 1.893 1.00 2.34 N ATOM 624 CA ILE A 40 7.753 5.723 2.261 1.00 43.34 C ATOM 625 C ILE A 40 6.902 5.736 0.988 1.00 54.22 C ATOM 626 O ILE A 40 7.376 6.144 -0.078 1.00 24.00 O ATOM 627 CB ILE A 40 7.325 6.794 3.291 1.00 40.35 C ATOM 628 CG1 ILE A 40 7.367 8.204 2.667 1.00 64.32 C ATOM 629 CG2 ILE A 40 8.218 6.728 4.551 1.00 63.45 C ATOM 630 CD1 ILE A 40 6.902 9.352 3.572 1.00 61.12 C ATOM 0 H ILE A 40 9.248 6.829 1.364 1.00 2.34 H new ATOM 0 HA ILE A 40 7.619 4.749 2.732 1.00 43.34 H new ATOM 0 HB ILE A 40 6.297 6.586 3.589 1.00 40.35 H new ATOM 0 HG12 ILE A 40 8.389 8.409 2.349 1.00 64.32 H new ATOM 0 HG13 ILE A 40 6.749 8.201 1.769 1.00 64.32 H new ATOM 0 HG21 ILE A 40 7.900 7.490 5.263 1.00 63.45 H new ATOM 0 HG22 ILE A 40 8.128 5.743 5.009 1.00 63.45 H new ATOM 0 HG23 ILE A 40 9.256 6.904 4.271 1.00 63.45 H new ATOM 0 HD11 ILE A 40 6.974 10.295 3.030 1.00 61.12 H new ATOM 0 HD12 ILE A 40 5.867 9.184 3.871 1.00 61.12 H new ATOM 0 HD13 ILE A 40 7.534 9.394 4.459 1.00 61.12 H new ATOM 642 N ALA A 41 5.652 5.302 1.082 1.00 72.34 N ATOM 643 CA ALA A 41 4.710 5.266 -0.017 1.00 31.14 C ATOM 644 C ALA A 41 3.288 5.328 0.531 1.00 53.45 C ATOM 645 O ALA A 41 3.054 5.110 1.723 1.00 0.31 O ATOM 646 CB ALA A 41 4.899 3.994 -0.839 1.00 51.31 C ATOM 0 H ALA A 41 5.258 4.955 1.956 1.00 72.34 H new ATOM 0 HA ALA A 41 4.887 6.124 -0.665 1.00 31.14 H new ATOM 0 HB1 ALA A 41 4.183 3.982 -1.661 1.00 51.31 H new ATOM 0 HB2 ALA A 41 5.912 3.967 -1.240 1.00 51.31 H new ATOM 0 HB3 ALA A 41 4.736 3.123 -0.204 1.00 51.31 H new ATOM 652 N PHE A 42 2.346 5.588 -0.371 1.00 44.24 N ATOM 653 CA PHE A 42 0.928 5.708 -0.098 1.00 52.13 C ATOM 654 C PHE A 42 0.174 4.947 -1.176 1.00 35.42 C ATOM 655 O PHE A 42 0.551 5.011 -2.352 1.00 15.45 O ATOM 656 CB PHE A 42 0.527 7.190 -0.138 1.00 30.44 C ATOM 657 CG PHE A 42 1.344 8.079 0.776 1.00 35.02 C ATOM 658 CD1 PHE A 42 2.558 8.642 0.329 1.00 73.02 C ATOM 659 CD2 PHE A 42 0.903 8.312 2.089 1.00 71.40 C ATOM 660 CE1 PHE A 42 3.333 9.429 1.200 1.00 11.43 C ATOM 661 CE2 PHE A 42 1.673 9.101 2.953 1.00 3.34 C ATOM 662 CZ PHE A 42 2.891 9.653 2.517 1.00 12.44 C ATOM 0 H PHE A 42 2.567 5.726 -1.357 1.00 44.24 H new ATOM 0 HA PHE A 42 0.692 5.302 0.886 1.00 52.13 H new ATOM 0 HB2 PHE A 42 0.623 7.553 -1.161 1.00 30.44 H new ATOM 0 HB3 PHE A 42 -0.525 7.278 0.134 1.00 30.44 H new ATOM 0 HD1 PHE A 42 2.893 8.469 -0.683 1.00 73.02 H new ATOM 0 HD2 PHE A 42 -0.027 7.884 2.432 1.00 71.40 H new ATOM 0 HE1 PHE A 42 4.263 9.859 0.859 1.00 11.43 H new ATOM 0 HE2 PHE A 42 1.329 9.287 3.960 1.00 3.34 H new ATOM 0 HZ PHE A 42 3.487 10.249 3.193 1.00 12.44 H new ATOM 672 N LEU A 43 -0.894 4.256 -0.786 1.00 23.13 N ATOM 673 CA LEU A 43 -1.742 3.481 -1.677 1.00 64.01 C ATOM 674 C LEU A 43 -3.173 3.806 -1.319 1.00 22.24 C ATOM 675 O LEU A 43 -3.540 3.686 -0.153 1.00 23.32 O ATOM 676 CB LEU A 43 -1.510 1.978 -1.529 1.00 24.34 C ATOM 677 CG LEU A 43 -0.107 1.543 -1.987 1.00 35.34 C ATOM 678 CD1 LEU A 43 0.846 1.372 -0.793 1.00 65.12 C ATOM 679 CD2 LEU A 43 -0.202 0.257 -2.801 1.00 2.44 C ATOM 0 H LEU A 43 -1.199 4.221 0.187 1.00 23.13 H new ATOM 0 HA LEU A 43 -1.510 3.738 -2.711 1.00 64.01 H new ATOM 0 HB2 LEU A 43 -1.651 1.694 -0.486 1.00 24.34 H new ATOM 0 HB3 LEU A 43 -2.260 1.440 -2.110 1.00 24.34 H new ATOM 0 HG LEU A 43 0.307 2.329 -2.619 1.00 35.34 H new ATOM 0 HD11 LEU A 43 1.828 1.064 -1.152 1.00 65.12 H new ATOM 0 HD12 LEU A 43 0.935 2.319 -0.260 1.00 65.12 H new ATOM 0 HD13 LEU A 43 0.452 0.612 -0.119 1.00 65.12 H new ATOM 0 HD21 LEU A 43 0.795 -0.045 -3.122 1.00 2.44 H new ATOM 0 HD22 LEU A 43 -0.640 -0.530 -2.187 1.00 2.44 H new ATOM 0 HD23 LEU A 43 -0.829 0.426 -3.676 1.00 2.44 H new ATOM 691 N GLU A 44 -3.954 4.268 -2.286 1.00 42.12 N ATOM 692 CA GLU A 44 -5.347 4.627 -2.070 1.00 25.45 C ATOM 693 C GLU A 44 -6.245 3.483 -2.519 1.00 25.54 C ATOM 694 O GLU A 44 -5.856 2.715 -3.401 1.00 5.53 O ATOM 695 CB GLU A 44 -5.707 5.886 -2.866 1.00 72.23 C ATOM 696 CG GLU A 44 -4.589 6.920 -3.033 1.00 5.33 C ATOM 697 CD GLU A 44 -5.200 8.244 -3.462 1.00 12.32 C ATOM 698 OE1 GLU A 44 -5.781 8.335 -4.568 1.00 24.51 O ATOM 699 OE2 GLU A 44 -5.223 9.188 -2.647 1.00 40.45 O ATOM 0 H GLU A 44 -3.637 4.404 -3.246 1.00 42.12 H new ATOM 0 HA GLU A 44 -5.493 4.822 -1.008 1.00 25.45 H new ATOM 0 HB2 GLU A 44 -6.043 5.581 -3.857 1.00 72.23 H new ATOM 0 HB3 GLU A 44 -6.553 6.371 -2.378 1.00 72.23 H new ATOM 0 HG2 GLU A 44 -4.046 7.042 -2.096 1.00 5.33 H new ATOM 0 HG3 GLU A 44 -3.869 6.579 -3.777 1.00 5.33 H new ATOM 706 N PHE A 45 -7.464 3.413 -1.986 1.00 55.44 N ATOM 707 CA PHE A 45 -8.451 2.397 -2.314 1.00 72.55 C ATOM 708 C PHE A 45 -9.829 3.058 -2.222 1.00 42.14 C ATOM 709 O PHE A 45 -10.184 3.599 -1.172 1.00 74.50 O ATOM 710 CB PHE A 45 -8.360 1.218 -1.337 1.00 24.41 C ATOM 711 CG PHE A 45 -7.047 0.451 -1.282 1.00 3.11 C ATOM 712 CD1 PHE A 45 -5.952 0.927 -0.533 1.00 12.40 C ATOM 713 CD2 PHE A 45 -6.939 -0.787 -1.938 1.00 43.32 C ATOM 714 CE1 PHE A 45 -4.778 0.161 -0.430 1.00 3.13 C ATOM 715 CE2 PHE A 45 -5.769 -1.558 -1.828 1.00 15.35 C ATOM 716 CZ PHE A 45 -4.686 -1.086 -1.068 1.00 33.21 C ATOM 0 H PHE A 45 -7.798 4.084 -1.294 1.00 55.44 H new ATOM 0 HA PHE A 45 -8.275 2.004 -3.315 1.00 72.55 H new ATOM 0 HB2 PHE A 45 -8.572 1.594 -0.336 1.00 24.41 H new ATOM 0 HB3 PHE A 45 -9.152 0.512 -1.587 1.00 24.41 H new ATOM 0 HD1 PHE A 45 -6.015 1.884 -0.036 1.00 12.40 H new ATOM 0 HD2 PHE A 45 -7.764 -1.150 -2.533 1.00 43.32 H new ATOM 0 HE1 PHE A 45 -3.942 0.534 0.143 1.00 3.13 H new ATOM 0 HE2 PHE A 45 -5.703 -2.513 -2.328 1.00 15.35 H new ATOM 0 HZ PHE A 45 -3.788 -1.679 -0.975 1.00 33.21 H new ATOM 726 N ASP A 46 -10.585 3.085 -3.324 1.00 22.15 N ATOM 727 CA ASP A 46 -11.920 3.688 -3.342 1.00 14.51 C ATOM 728 C ASP A 46 -12.953 2.676 -2.832 1.00 2.03 C ATOM 729 O ASP A 46 -13.078 1.568 -3.368 1.00 35.20 O ATOM 730 CB ASP A 46 -12.293 4.250 -4.723 1.00 23.21 C ATOM 731 CG ASP A 46 -13.450 5.257 -4.622 1.00 44.43 C ATOM 732 OD1 ASP A 46 -14.334 5.073 -3.764 1.00 11.43 O ATOM 733 OD2 ASP A 46 -13.450 6.270 -5.363 1.00 11.44 O ATOM 0 H ASP A 46 -10.292 2.694 -4.219 1.00 22.15 H new ATOM 0 HA ASP A 46 -11.914 4.546 -2.669 1.00 14.51 H new ATOM 0 HB2 ASP A 46 -11.424 4.735 -5.168 1.00 23.21 H new ATOM 0 HB3 ASP A 46 -12.576 3.433 -5.386 1.00 23.21 H new ATOM 738 N ALA A 47 -13.633 3.019 -1.739 1.00 53.32 N ATOM 739 CA ALA A 47 -14.666 2.228 -1.093 1.00 13.24 C ATOM 740 C ALA A 47 -15.943 2.209 -1.920 1.00 52.31 C ATOM 741 O ALA A 47 -16.770 1.312 -1.742 1.00 52.40 O ATOM 742 CB ALA A 47 -14.970 2.786 0.297 1.00 54.12 C ATOM 0 H ALA A 47 -13.465 3.903 -1.259 1.00 53.32 H new ATOM 0 HA ALA A 47 -14.294 1.207 -1.003 1.00 13.24 H new ATOM 0 HB1 ALA A 47 -15.746 2.183 0.769 1.00 54.12 H new ATOM 0 HB2 ALA A 47 -14.067 2.757 0.906 1.00 54.12 H new ATOM 0 HB3 ALA A 47 -15.315 3.816 0.208 1.00 54.12 H new ATOM 748 N ASP A 48 -16.170 3.213 -2.770 1.00 73.45 N ATOM 749 CA ASP A 48 -17.352 3.245 -3.628 1.00 33.45 C ATOM 750 C ASP A 48 -17.189 2.161 -4.690 1.00 41.41 C ATOM 751 O ASP A 48 -18.177 1.639 -5.217 1.00 34.45 O ATOM 752 CB ASP A 48 -17.563 4.620 -4.271 1.00 15.33 C ATOM 753 CG ASP A 48 -18.958 4.761 -4.901 1.00 51.23 C ATOM 754 OD1 ASP A 48 -19.906 4.049 -4.495 1.00 21.31 O ATOM 755 OD2 ASP A 48 -19.153 5.614 -5.794 1.00 31.14 O ATOM 0 H ASP A 48 -15.549 4.014 -2.881 1.00 73.45 H new ATOM 0 HA ASP A 48 -18.240 3.057 -3.025 1.00 33.45 H new ATOM 0 HB2 ASP A 48 -17.427 5.396 -3.518 1.00 15.33 H new ATOM 0 HB3 ASP A 48 -16.803 4.782 -5.036 1.00 15.33 H new ATOM 760 N LYS A 49 -15.934 1.768 -4.975 1.00 22.14 N ATOM 761 CA LYS A 49 -15.661 0.727 -5.955 1.00 10.41 C ATOM 762 C LYS A 49 -16.287 -0.602 -5.511 1.00 14.02 C ATOM 763 O LYS A 49 -16.724 -1.359 -6.375 1.00 14.33 O ATOM 764 CB LYS A 49 -14.156 0.690 -6.274 1.00 51.14 C ATOM 765 CG LYS A 49 -13.895 0.346 -7.748 1.00 50.25 C ATOM 766 CD LYS A 49 -12.449 0.659 -8.162 1.00 33.43 C ATOM 767 CE LYS A 49 -12.354 0.591 -9.689 1.00 3.14 C ATOM 768 NZ LYS A 49 -11.223 1.365 -10.233 1.00 30.50 N ATOM 0 H LYS A 49 -15.101 2.161 -4.536 1.00 22.14 H new ATOM 0 HA LYS A 49 -16.143 0.947 -6.907 1.00 10.41 H new ATOM 0 HB2 LYS A 49 -13.711 1.658 -6.042 1.00 51.14 H new ATOM 0 HB3 LYS A 49 -13.667 -0.047 -5.636 1.00 51.14 H new ATOM 0 HG2 LYS A 49 -14.100 -0.711 -7.916 1.00 50.25 H new ATOM 0 HG3 LYS A 49 -14.583 0.908 -8.379 1.00 50.25 H new ATOM 0 HD2 LYS A 49 -12.160 1.649 -7.808 1.00 33.43 H new ATOM 0 HD3 LYS A 49 -11.762 -0.055 -7.708 1.00 33.43 H new ATOM 0 HE2 LYS A 49 -12.254 -0.450 -9.995 1.00 3.14 H new ATOM 0 HE3 LYS A 49 -13.283 0.963 -10.122 1.00 3.14 H new ATOM 0 HZ1 LYS A 49 -11.211 1.281 -11.269 1.00 30.50 H new ATOM 0 HZ2 LYS A 49 -11.328 2.365 -9.968 1.00 30.50 H new ATOM 0 HZ3 LYS A 49 -10.331 0.996 -9.845 1.00 30.50 H new ATOM 782 N ASP A 50 -16.386 -0.905 -4.212 1.00 64.01 N ATOM 783 CA ASP A 50 -17.009 -2.120 -3.664 1.00 33.32 C ATOM 784 C ASP A 50 -17.176 -1.929 -2.158 1.00 33.03 C ATOM 785 O ASP A 50 -16.218 -2.092 -1.401 1.00 51.34 O ATOM 786 CB ASP A 50 -16.259 -3.428 -3.967 1.00 72.32 C ATOM 787 CG ASP A 50 -16.987 -4.666 -3.419 1.00 14.32 C ATOM 788 OD1 ASP A 50 -17.958 -4.562 -2.632 1.00 4.13 O ATOM 789 OD2 ASP A 50 -16.551 -5.793 -3.730 1.00 30.32 O ATOM 0 H ASP A 50 -16.022 -0.290 -3.485 1.00 64.01 H new ATOM 0 HA ASP A 50 -17.970 -2.240 -4.164 1.00 33.32 H new ATOM 0 HB2 ASP A 50 -16.136 -3.531 -5.045 1.00 72.32 H new ATOM 0 HB3 ASP A 50 -15.259 -3.378 -3.535 1.00 72.32 H new ATOM 794 N ARG A 51 -18.398 -1.607 -1.723 1.00 74.43 N ATOM 795 CA ARG A 51 -18.771 -1.362 -0.330 1.00 52.50 C ATOM 796 C ARG A 51 -18.400 -2.444 0.665 1.00 31.23 C ATOM 797 O ARG A 51 -18.344 -2.126 1.851 1.00 52.45 O ATOM 798 CB ARG A 51 -20.286 -1.180 -0.204 1.00 41.14 C ATOM 799 CG ARG A 51 -20.792 0.165 -0.714 1.00 64.11 C ATOM 800 CD ARG A 51 -22.115 0.438 -0.009 1.00 4.31 C ATOM 801 NE ARG A 51 -22.949 1.431 -0.686 1.00 72.13 N ATOM 802 CZ ARG A 51 -24.241 1.578 -0.376 1.00 64.32 C ATOM 803 NH1 ARG A 51 -24.722 1.059 0.751 1.00 43.43 N ATOM 804 NH2 ARG A 51 -25.052 2.224 -1.197 1.00 10.42 N ATOM 0 H ARG A 51 -19.187 -1.506 -2.361 1.00 74.43 H new ATOM 0 HA ARG A 51 -18.198 -0.469 -0.080 1.00 52.50 H new ATOM 0 HB2 ARG A 51 -20.785 -1.977 -0.755 1.00 41.14 H new ATOM 0 HB3 ARG A 51 -20.569 -1.290 0.843 1.00 41.14 H new ATOM 0 HG2 ARG A 51 -20.071 0.954 -0.501 1.00 64.11 H new ATOM 0 HG3 ARG A 51 -20.929 0.141 -1.795 1.00 64.11 H new ATOM 0 HD2 ARG A 51 -22.672 -0.495 0.073 1.00 4.31 H new ATOM 0 HD3 ARG A 51 -21.912 0.779 1.006 1.00 4.31 H new ATOM 0 HE ARG A 51 -22.537 2.022 -1.408 1.00 72.13 H new ATOM 0 HH11 ARG A 51 -24.104 0.547 1.381 1.00 43.43 H new ATOM 0 HH12 ARG A 51 -25.708 1.173 0.985 1.00 43.43 H new ATOM 0 HH21 ARG A 51 -24.692 2.611 -2.069 1.00 10.42 H new ATOM 0 HH22 ARG A 51 -26.037 2.335 -0.958 1.00 10.42 H new ATOM 818 N THR A 52 -18.196 -3.690 0.250 1.00 71.33 N ATOM 819 CA THR A 52 -17.836 -4.748 1.188 1.00 31.43 C ATOM 820 C THR A 52 -16.497 -5.383 0.806 1.00 63.33 C ATOM 821 O THR A 52 -15.800 -5.931 1.663 1.00 51.40 O ATOM 822 CB THR A 52 -19.035 -5.697 1.385 1.00 11.41 C ATOM 823 OG1 THR A 52 -19.625 -6.101 0.160 1.00 34.53 O ATOM 824 CG2 THR A 52 -20.128 -4.986 2.200 1.00 5.53 C ATOM 0 H THR A 52 -18.273 -3.991 -0.722 1.00 71.33 H new ATOM 0 HA THR A 52 -17.641 -4.350 2.184 1.00 31.43 H new ATOM 0 HB THR A 52 -18.647 -6.578 1.897 1.00 11.41 H new ATOM 0 HG1 THR A 52 -20.378 -6.702 0.342 1.00 34.53 H new ATOM 0 HG21 THR A 52 -20.975 -5.659 2.338 1.00 5.53 H new ATOM 0 HG22 THR A 52 -19.729 -4.701 3.173 1.00 5.53 H new ATOM 0 HG23 THR A 52 -20.457 -4.094 1.667 1.00 5.53 H new ATOM 832 N GLY A 53 -16.060 -5.216 -0.444 1.00 31.32 N ATOM 833 CA GLY A 53 -14.795 -5.734 -0.933 1.00 32.14 C ATOM 834 C GLY A 53 -13.642 -4.862 -0.468 1.00 1.44 C ATOM 835 O GLY A 53 -12.553 -5.393 -0.248 1.00 20.01 O ATOM 0 H GLY A 53 -16.590 -4.707 -1.152 1.00 31.32 H new ATOM 0 HA2 GLY A 53 -14.652 -6.754 -0.577 1.00 32.14 H new ATOM 0 HA3 GLY A 53 -14.810 -5.775 -2.022 1.00 32.14 H new ATOM 839 N ILE A 54 -13.869 -3.554 -0.286 1.00 13.23 N ATOM 840 CA ILE A 54 -12.879 -2.582 0.178 1.00 10.33 C ATOM 841 C ILE A 54 -12.230 -3.072 1.479 1.00 20.14 C ATOM 842 O ILE A 54 -11.024 -2.922 1.668 1.00 72.14 O ATOM 843 CB ILE A 54 -13.559 -1.199 0.339 1.00 61.51 C ATOM 844 CG1 ILE A 54 -12.586 -0.111 0.836 1.00 64.44 C ATOM 845 CG2 ILE A 54 -14.772 -1.206 1.293 1.00 35.34 C ATOM 846 CD1 ILE A 54 -11.449 0.196 -0.137 1.00 72.54 C ATOM 0 H ILE A 54 -14.780 -3.132 -0.465 1.00 13.23 H new ATOM 0 HA ILE A 54 -12.079 -2.477 -0.555 1.00 10.33 H new ATOM 0 HB ILE A 54 -13.901 -0.968 -0.670 1.00 61.51 H new ATOM 0 HG12 ILE A 54 -13.146 0.805 1.025 1.00 64.44 H new ATOM 0 HG13 ILE A 54 -12.160 -0.426 1.789 1.00 64.44 H new ATOM 0 HG21 ILE A 54 -15.193 -0.203 1.353 1.00 35.34 H new ATOM 0 HG22 ILE A 54 -15.528 -1.895 0.916 1.00 35.34 H new ATOM 0 HG23 ILE A 54 -14.453 -1.526 2.285 1.00 35.34 H new ATOM 0 HD11 ILE A 54 -10.809 0.971 0.285 1.00 72.54 H new ATOM 0 HD12 ILE A 54 -10.862 -0.707 -0.308 1.00 72.54 H new ATOM 0 HD13 ILE A 54 -11.864 0.543 -1.083 1.00 72.54 H new ATOM 858 N GLN A 55 -13.025 -3.702 2.350 1.00 2.10 N ATOM 859 CA GLN A 55 -12.587 -4.246 3.621 1.00 73.52 C ATOM 860 C GLN A 55 -11.439 -5.221 3.346 1.00 62.21 C ATOM 861 O GLN A 55 -10.336 -5.038 3.865 1.00 62.45 O ATOM 862 CB GLN A 55 -13.809 -4.876 4.320 1.00 14.04 C ATOM 863 CG GLN A 55 -13.554 -5.341 5.759 1.00 74.44 C ATOM 864 CD GLN A 55 -12.898 -6.716 5.804 1.00 53.13 C ATOM 865 OE1 GLN A 55 -13.569 -7.740 5.788 1.00 2.23 O ATOM 866 NE2 GLN A 55 -11.584 -6.779 5.767 1.00 10.32 N ATOM 0 H GLN A 55 -14.020 -3.847 2.176 1.00 2.10 H new ATOM 0 HA GLN A 55 -12.198 -3.489 4.302 1.00 73.52 H new ATOM 0 HB2 GLN A 55 -14.622 -4.150 4.326 1.00 14.04 H new ATOM 0 HB3 GLN A 55 -14.148 -5.729 3.732 1.00 14.04 H new ATOM 0 HG2 GLN A 55 -12.916 -4.618 6.267 1.00 74.44 H new ATOM 0 HG3 GLN A 55 -14.498 -5.371 6.303 1.00 74.44 H new ATOM 0 HE21 GLN A 55 -11.032 -5.922 5.781 1.00 10.32 H new ATOM 0 HE22 GLN A 55 -11.118 -7.685 5.725 1.00 10.32 H new ATOM 875 N ARG A 56 -11.684 -6.251 2.525 1.00 23.14 N ATOM 876 CA ARG A 56 -10.676 -7.249 2.167 1.00 10.55 C ATOM 877 C ARG A 56 -9.442 -6.569 1.597 1.00 62.02 C ATOM 878 O ARG A 56 -8.334 -6.976 1.930 1.00 5.11 O ATOM 879 CB ARG A 56 -11.240 -8.282 1.176 1.00 22.52 C ATOM 880 CG ARG A 56 -11.702 -9.572 1.864 1.00 52.42 C ATOM 881 CD ARG A 56 -12.857 -9.374 2.852 1.00 72.42 C ATOM 882 NE ARG A 56 -14.128 -9.084 2.170 1.00 34.03 N ATOM 883 CZ ARG A 56 -15.315 -9.001 2.777 1.00 1.21 C ATOM 884 NH1 ARG A 56 -15.406 -8.848 4.087 1.00 34.11 N ATOM 885 NH2 ARG A 56 -16.422 -9.083 2.058 1.00 52.51 N ATOM 0 H ARG A 56 -12.592 -6.413 2.090 1.00 23.14 H new ATOM 0 HA ARG A 56 -10.391 -7.785 3.072 1.00 10.55 H new ATOM 0 HB2 ARG A 56 -12.079 -7.842 0.637 1.00 22.52 H new ATOM 0 HB3 ARG A 56 -10.477 -8.523 0.436 1.00 22.52 H new ATOM 0 HG2 ARG A 56 -12.009 -10.288 1.102 1.00 52.42 H new ATOM 0 HG3 ARG A 56 -10.857 -10.012 2.393 1.00 52.42 H new ATOM 0 HD2 ARG A 56 -12.970 -10.271 3.461 1.00 72.42 H new ATOM 0 HD3 ARG A 56 -12.616 -8.556 3.531 1.00 72.42 H new ATOM 0 HE ARG A 56 -14.101 -8.936 1.161 1.00 34.03 H new ATOM 0 HH11 ARG A 56 -14.560 -8.791 4.654 1.00 34.11 H new ATOM 0 HH12 ARG A 56 -16.322 -8.787 4.531 1.00 34.11 H new ATOM 0 HH21 ARG A 56 -16.366 -9.209 1.047 1.00 52.51 H new ATOM 0 HH22 ARG A 56 -17.332 -9.021 2.514 1.00 52.51 H new ATOM 899 N ARG A 57 -9.603 -5.545 0.753 1.00 23.20 N ATOM 900 CA ARG A 57 -8.461 -4.838 0.181 1.00 14.43 C ATOM 901 C ARG A 57 -7.584 -4.269 1.290 1.00 32.44 C ATOM 902 O ARG A 57 -6.378 -4.506 1.262 1.00 73.24 O ATOM 903 CB ARG A 57 -8.906 -3.740 -0.790 1.00 3.15 C ATOM 904 CG ARG A 57 -9.748 -4.319 -1.927 1.00 74.14 C ATOM 905 CD ARG A 57 -9.924 -3.295 -3.042 1.00 43.22 C ATOM 906 NE ARG A 57 -10.110 -3.983 -4.324 1.00 40.24 N ATOM 907 CZ ARG A 57 -11.279 -4.430 -4.787 1.00 14.22 C ATOM 908 NH1 ARG A 57 -12.411 -4.033 -4.224 1.00 34.42 N ATOM 909 NH2 ARG A 57 -11.316 -5.289 -5.798 1.00 3.52 N ATOM 0 H ARG A 57 -10.511 -5.191 0.454 1.00 23.20 H new ATOM 0 HA ARG A 57 -7.873 -5.554 -0.393 1.00 14.43 H new ATOM 0 HB2 ARG A 57 -9.483 -2.987 -0.253 1.00 3.15 H new ATOM 0 HB3 ARG A 57 -8.031 -3.237 -1.201 1.00 3.15 H new ATOM 0 HG2 ARG A 57 -9.269 -5.215 -2.322 1.00 74.14 H new ATOM 0 HG3 ARG A 57 -10.724 -4.621 -1.546 1.00 74.14 H new ATOM 0 HD2 ARG A 57 -10.784 -2.659 -2.832 1.00 43.22 H new ATOM 0 HD3 ARG A 57 -9.051 -2.644 -3.091 1.00 43.22 H new ATOM 0 HE ARG A 57 -9.285 -4.131 -4.905 1.00 40.24 H new ATOM 0 HH11 ARG A 57 -12.389 -3.385 -3.436 1.00 34.42 H new ATOM 0 HH12 ARG A 57 -13.304 -4.375 -4.578 1.00 34.42 H new ATOM 0 HH21 ARG A 57 -10.448 -5.611 -6.226 1.00 3.52 H new ATOM 0 HH22 ARG A 57 -12.213 -5.627 -6.147 1.00 3.52 H new ATOM 923 N MET A 58 -8.170 -3.552 2.253 1.00 3.41 N ATOM 924 CA MET A 58 -7.429 -2.973 3.369 1.00 42.13 C ATOM 925 C MET A 58 -6.733 -4.066 4.170 1.00 54.50 C ATOM 926 O MET A 58 -5.565 -3.921 4.512 1.00 74.03 O ATOM 927 CB MET A 58 -8.363 -2.205 4.315 1.00 51.15 C ATOM 928 CG MET A 58 -8.591 -0.778 3.845 1.00 4.42 C ATOM 929 SD MET A 58 -9.467 0.229 5.072 1.00 62.31 S ATOM 930 CE MET A 58 -10.908 0.621 4.068 1.00 24.31 C ATOM 0 H MET A 58 -9.171 -3.359 2.278 1.00 3.41 H new ATOM 0 HA MET A 58 -6.693 -2.288 2.948 1.00 42.13 H new ATOM 0 HB2 MET A 58 -9.320 -2.723 4.382 1.00 51.15 H new ATOM 0 HB3 MET A 58 -7.936 -2.194 5.318 1.00 51.15 H new ATOM 0 HG2 MET A 58 -7.630 -0.316 3.620 1.00 4.42 H new ATOM 0 HG3 MET A 58 -9.163 -0.792 2.917 1.00 4.42 H new ATOM 0 HE1 MET A 58 -11.531 1.345 4.593 1.00 24.31 H new ATOM 0 HE2 MET A 58 -10.585 1.043 3.116 1.00 24.31 H new ATOM 0 HE3 MET A 58 -11.482 -0.287 3.886 1.00 24.31 H new ATOM 940 N ASP A 59 -7.434 -5.158 4.475 1.00 43.23 N ATOM 941 CA ASP A 59 -6.878 -6.267 5.246 1.00 34.24 C ATOM 942 C ASP A 59 -5.663 -6.856 4.541 1.00 72.24 C ATOM 943 O ASP A 59 -4.595 -6.944 5.137 1.00 4.31 O ATOM 944 CB ASP A 59 -7.916 -7.364 5.467 1.00 52.40 C ATOM 945 CG ASP A 59 -8.733 -7.193 6.746 1.00 71.20 C ATOM 946 OD1 ASP A 59 -8.911 -6.048 7.230 1.00 60.04 O ATOM 947 OD2 ASP A 59 -9.277 -8.216 7.223 1.00 55.24 O ATOM 0 H ASP A 59 -8.404 -5.298 4.194 1.00 43.23 H new ATOM 0 HA ASP A 59 -6.577 -5.870 6.215 1.00 34.24 H new ATOM 0 HB2 ASP A 59 -8.594 -7.386 4.614 1.00 52.40 H new ATOM 0 HB3 ASP A 59 -7.410 -8.329 5.497 1.00 52.40 H new ATOM 952 N ILE A 60 -5.823 -7.252 3.275 1.00 64.41 N ATOM 953 CA ILE A 60 -4.780 -7.842 2.439 1.00 73.35 C ATOM 954 C ILE A 60 -3.599 -6.874 2.332 1.00 3.04 C ATOM 955 O ILE A 60 -2.448 -7.318 2.328 1.00 31.31 O ATOM 956 CB ILE A 60 -5.393 -8.272 1.081 1.00 12.45 C ATOM 957 CG1 ILE A 60 -6.376 -9.452 1.290 1.00 32.23 C ATOM 958 CG2 ILE A 60 -4.323 -8.672 0.048 1.00 71.20 C ATOM 959 CD1 ILE A 60 -7.292 -9.722 0.088 1.00 3.31 C ATOM 0 H ILE A 60 -6.716 -7.166 2.789 1.00 64.41 H new ATOM 0 HA ILE A 60 -4.376 -8.750 2.886 1.00 73.35 H new ATOM 0 HB ILE A 60 -5.924 -7.406 0.685 1.00 12.45 H new ATOM 0 HG12 ILE A 60 -5.804 -10.354 1.508 1.00 32.23 H new ATOM 0 HG13 ILE A 60 -6.993 -9.247 2.165 1.00 32.23 H new ATOM 0 HG21 ILE A 60 -4.808 -8.964 -0.884 1.00 71.20 H new ATOM 0 HG22 ILE A 60 -3.661 -7.826 -0.137 1.00 71.20 H new ATOM 0 HG23 ILE A 60 -3.741 -9.510 0.432 1.00 71.20 H new ATOM 0 HD11 ILE A 60 -7.949 -10.562 0.313 1.00 3.31 H new ATOM 0 HD12 ILE A 60 -7.893 -8.836 -0.118 1.00 3.31 H new ATOM 0 HD13 ILE A 60 -6.685 -9.960 -0.786 1.00 3.31 H new ATOM 971 N ALA A 61 -3.859 -5.568 2.263 1.00 45.54 N ATOM 972 CA ALA A 61 -2.818 -4.561 2.188 1.00 41.21 C ATOM 973 C ALA A 61 -2.065 -4.495 3.521 1.00 63.13 C ATOM 974 O ALA A 61 -0.836 -4.430 3.525 1.00 40.44 O ATOM 975 CB ALA A 61 -3.442 -3.208 1.845 1.00 10.23 C ATOM 0 H ALA A 61 -4.804 -5.185 2.258 1.00 45.54 H new ATOM 0 HA ALA A 61 -2.106 -4.823 1.406 1.00 41.21 H new ATOM 0 HB1 ALA A 61 -2.660 -2.451 1.788 1.00 10.23 H new ATOM 0 HB2 ALA A 61 -3.952 -3.276 0.884 1.00 10.23 H new ATOM 0 HB3 ALA A 61 -4.159 -2.932 2.618 1.00 10.23 H new ATOM 981 N LEU A 62 -2.786 -4.516 4.648 1.00 35.50 N ATOM 982 CA LEU A 62 -2.191 -4.453 5.987 1.00 70.11 C ATOM 983 C LEU A 62 -1.339 -5.693 6.248 1.00 55.41 C ATOM 984 O LEU A 62 -0.270 -5.606 6.846 1.00 35.24 O ATOM 985 CB LEU A 62 -3.288 -4.309 7.057 1.00 74.33 C ATOM 986 CG LEU A 62 -3.841 -2.876 7.167 1.00 51.14 C ATOM 987 CD1 LEU A 62 -5.219 -2.890 7.842 1.00 64.31 C ATOM 988 CD2 LEU A 62 -2.899 -1.971 7.969 1.00 60.14 C ATOM 0 H LEU A 62 -3.804 -4.578 4.656 1.00 35.50 H new ATOM 0 HA LEU A 62 -1.546 -3.576 6.041 1.00 70.11 H new ATOM 0 HB2 LEU A 62 -4.106 -4.991 6.824 1.00 74.33 H new ATOM 0 HB3 LEU A 62 -2.886 -4.612 8.024 1.00 74.33 H new ATOM 0 HG LEU A 62 -3.927 -2.480 6.155 1.00 51.14 H new ATOM 0 HD11 LEU A 62 -5.599 -1.871 7.914 1.00 64.31 H new ATOM 0 HD12 LEU A 62 -5.908 -3.493 7.251 1.00 64.31 H new ATOM 0 HD13 LEU A 62 -5.130 -3.316 8.842 1.00 64.31 H new ATOM 0 HD21 LEU A 62 -3.320 -0.967 8.027 1.00 60.14 H new ATOM 0 HD22 LEU A 62 -2.778 -2.372 8.975 1.00 60.14 H new ATOM 0 HD23 LEU A 62 -1.928 -1.929 7.476 1.00 60.14 H new ATOM 1000 N LEU A 63 -1.772 -6.844 5.734 1.00 12.24 N ATOM 1001 CA LEU A 63 -1.113 -8.142 5.861 1.00 21.01 C ATOM 1002 C LEU A 63 0.285 -8.190 5.219 1.00 21.14 C ATOM 1003 O LEU A 63 0.937 -9.240 5.272 1.00 71.44 O ATOM 1004 CB LEU A 63 -2.063 -9.235 5.341 1.00 63.03 C ATOM 1005 CG LEU A 63 -3.203 -9.535 6.341 1.00 54.20 C ATOM 1006 CD1 LEU A 63 -4.349 -10.299 5.671 1.00 53.10 C ATOM 1007 CD2 LEU A 63 -2.715 -10.373 7.527 1.00 45.12 C ATOM 0 H LEU A 63 -2.634 -6.898 5.191 1.00 12.24 H new ATOM 0 HA LEU A 63 -0.912 -8.326 6.916 1.00 21.01 H new ATOM 0 HB2 LEU A 63 -2.490 -8.921 4.388 1.00 63.03 H new ATOM 0 HB3 LEU A 63 -1.497 -10.147 5.152 1.00 63.03 H new ATOM 0 HG LEU A 63 -3.553 -8.565 6.694 1.00 54.20 H new ATOM 0 HD11 LEU A 63 -5.133 -10.493 6.403 1.00 53.10 H new ATOM 0 HD12 LEU A 63 -4.755 -9.703 4.854 1.00 53.10 H new ATOM 0 HD13 LEU A 63 -3.976 -11.245 5.279 1.00 53.10 H new ATOM 0 HD21 LEU A 63 -3.547 -10.562 8.206 1.00 45.12 H new ATOM 0 HD22 LEU A 63 -2.320 -11.322 7.164 1.00 45.12 H new ATOM 0 HD23 LEU A 63 -1.930 -9.832 8.056 1.00 45.12 H new ATOM 1019 N GLN A 64 0.737 -7.108 4.581 1.00 42.54 N ATOM 1020 CA GLN A 64 2.060 -6.995 3.970 1.00 54.32 C ATOM 1021 C GLN A 64 3.054 -6.336 4.958 1.00 1.11 C ATOM 1022 O GLN A 64 4.197 -6.051 4.580 1.00 71.21 O ATOM 1023 CB GLN A 64 2.011 -6.220 2.643 1.00 31.00 C ATOM 1024 CG GLN A 64 0.941 -6.661 1.635 1.00 11.01 C ATOM 1025 CD GLN A 64 0.950 -8.159 1.353 1.00 1.12 C ATOM 1026 OE1 GLN A 64 1.993 -8.763 1.117 1.00 54.23 O ATOM 1027 NE2 GLN A 64 -0.211 -8.795 1.360 1.00 22.40 N ATOM 0 H GLN A 64 0.176 -6.263 4.473 1.00 42.54 H new ATOM 0 HA GLN A 64 2.409 -8.002 3.742 1.00 54.32 H new ATOM 0 HB2 GLN A 64 1.854 -5.165 2.869 1.00 31.00 H new ATOM 0 HB3 GLN A 64 2.986 -6.301 2.163 1.00 31.00 H new ATOM 0 HG2 GLN A 64 -0.041 -6.377 2.012 1.00 11.01 H new ATOM 0 HG3 GLN A 64 1.091 -6.123 0.699 1.00 11.01 H new ATOM 0 HE21 GLN A 64 -1.071 -8.284 1.557 1.00 22.40 H new ATOM 0 HE22 GLN A 64 -0.245 -9.796 1.168 1.00 22.40 H new ATOM 1036 N HIS A 65 2.649 -6.037 6.198 1.00 71.30 N ATOM 1037 CA HIS A 65 3.457 -5.444 7.239 1.00 74.21 C ATOM 1038 C HIS A 65 4.559 -6.413 7.648 1.00 24.41 C ATOM 1039 O HIS A 65 4.334 -7.610 7.854 1.00 72.44 O ATOM 1040 CB HIS A 65 2.579 -5.136 8.458 1.00 50.24 C ATOM 1041 CG HIS A 65 3.363 -4.529 9.585 1.00 4.04 C ATOM 1042 ND1 HIS A 65 4.217 -3.433 9.467 1.00 2.20 N ATOM 1043 CD2 HIS A 65 3.394 -4.997 10.863 1.00 12.20 C ATOM 1044 CE1 HIS A 65 4.739 -3.261 10.692 1.00 5.51 C ATOM 1045 NE2 HIS A 65 4.267 -4.184 11.549 1.00 73.43 N ATOM 0 H HIS A 65 1.694 -6.217 6.506 1.00 71.30 H new ATOM 0 HA HIS A 65 3.902 -4.522 6.865 1.00 74.21 H new ATOM 0 HB2 HIS A 65 1.781 -4.454 8.165 1.00 50.24 H new ATOM 0 HB3 HIS A 65 2.104 -6.055 8.802 1.00 50.24 H new ATOM 0 HD2 HIS A 65 2.844 -5.838 11.259 1.00 12.20 H new ATOM 0 HE1 HIS A 65 5.443 -2.485 10.954 1.00 5.51 H new ATOM 0 HE2 HIS A 65 4.513 -4.267 12.535 1.00 73.43 H new ATOM 1053 N GLY A 66 5.753 -5.851 7.774 1.00 3.32 N ATOM 1054 CA GLY A 66 6.981 -6.537 8.170 1.00 22.33 C ATOM 1055 C GLY A 66 7.478 -7.533 7.129 1.00 62.31 C ATOM 1056 O GLY A 66 8.271 -8.412 7.480 1.00 72.12 O ATOM 0 H GLY A 66 5.902 -4.858 7.595 1.00 3.32 H new ATOM 0 HA2 GLY A 66 7.759 -5.796 8.355 1.00 22.33 H new ATOM 0 HA3 GLY A 66 6.809 -7.060 9.111 1.00 22.33 H new ATOM 1060 N THR A 67 6.985 -7.470 5.888 1.00 1.32 N ATOM 1061 CA THR A 67 7.446 -8.383 4.852 1.00 12.34 C ATOM 1062 C THR A 67 8.801 -7.880 4.341 1.00 32.34 C ATOM 1063 O THR A 67 9.144 -6.699 4.465 1.00 5.24 O ATOM 1064 CB THR A 67 6.389 -8.536 3.746 1.00 13.04 C ATOM 1065 OG1 THR A 67 6.058 -7.310 3.130 1.00 3.12 O ATOM 1066 CG2 THR A 67 5.104 -9.148 4.305 1.00 14.14 C ATOM 0 H THR A 67 6.276 -6.803 5.584 1.00 1.32 H new ATOM 0 HA THR A 67 7.587 -9.387 5.252 1.00 12.34 H new ATOM 0 HB THR A 67 6.836 -9.191 2.998 1.00 13.04 H new ATOM 0 HG1 THR A 67 5.364 -6.858 3.653 1.00 3.12 H new ATOM 0 HG21 THR A 67 4.370 -9.247 3.505 1.00 14.14 H new ATOM 0 HG22 THR A 67 5.321 -10.131 4.722 1.00 14.14 H new ATOM 0 HG23 THR A 67 4.704 -8.502 5.087 1.00 14.14 H new ATOM 1074 N LEU A 68 9.597 -8.790 3.783 1.00 60.42 N ATOM 1075 CA LEU A 68 10.914 -8.495 3.250 1.00 11.30 C ATOM 1076 C LEU A 68 10.782 -8.249 1.762 1.00 42.41 C ATOM 1077 O LEU A 68 10.541 -9.178 0.992 1.00 52.24 O ATOM 1078 CB LEU A 68 11.886 -9.644 3.541 1.00 62.02 C ATOM 1079 CG LEU A 68 12.069 -9.958 5.036 1.00 61.15 C ATOM 1080 CD1 LEU A 68 13.355 -10.724 5.292 1.00 45.43 C ATOM 1081 CD2 LEU A 68 12.124 -8.719 5.906 1.00 64.10 C ATOM 0 H LEU A 68 9.334 -9.771 3.690 1.00 60.42 H new ATOM 0 HA LEU A 68 11.320 -7.605 3.730 1.00 11.30 H new ATOM 0 HB2 LEU A 68 11.531 -10.541 3.035 1.00 62.02 H new ATOM 0 HB3 LEU A 68 12.858 -9.399 3.112 1.00 62.02 H new ATOM 0 HG LEU A 68 11.193 -10.551 5.298 1.00 61.15 H new ATOM 0 HD11 LEU A 68 13.451 -10.928 6.358 1.00 45.43 H new ATOM 0 HD12 LEU A 68 13.333 -11.665 4.743 1.00 45.43 H new ATOM 0 HD13 LEU A 68 14.205 -10.129 4.959 1.00 45.43 H new ATOM 0 HD21 LEU A 68 12.254 -9.012 6.948 1.00 64.10 H new ATOM 0 HD22 LEU A 68 12.962 -8.094 5.597 1.00 64.10 H new ATOM 0 HD23 LEU A 68 11.195 -8.158 5.800 1.00 64.10 H new ATOM 1093 N LEU A 69 10.928 -6.989 1.373 1.00 45.25 N ATOM 1094 CA LEU A 69 10.848 -6.524 0.002 1.00 32.23 C ATOM 1095 C LEU A 69 12.245 -6.065 -0.384 1.00 2.11 C ATOM 1096 O LEU A 69 12.755 -5.114 0.203 1.00 2.21 O ATOM 1097 CB LEU A 69 9.807 -5.399 -0.089 1.00 5.33 C ATOM 1098 CG LEU A 69 9.706 -4.758 -1.482 1.00 73.10 C ATOM 1099 CD1 LEU A 69 9.468 -5.808 -2.567 1.00 62.34 C ATOM 1100 CD2 LEU A 69 8.569 -3.731 -1.517 1.00 53.04 C ATOM 0 H LEU A 69 11.113 -6.235 2.035 1.00 45.25 H new ATOM 0 HA LEU A 69 10.525 -7.303 -0.688 1.00 32.23 H new ATOM 0 HB2 LEU A 69 8.831 -5.797 0.189 1.00 5.33 H new ATOM 0 HB3 LEU A 69 10.056 -4.627 0.639 1.00 5.33 H new ATOM 0 HG LEU A 69 10.656 -4.262 -1.681 1.00 73.10 H new ATOM 0 HD11 LEU A 69 9.402 -5.319 -3.539 1.00 62.34 H new ATOM 0 HD12 LEU A 69 10.295 -6.518 -2.574 1.00 62.34 H new ATOM 0 HD13 LEU A 69 8.537 -6.337 -2.363 1.00 62.34 H new ATOM 0 HD21 LEU A 69 8.511 -3.286 -2.510 1.00 53.04 H new ATOM 0 HD22 LEU A 69 7.625 -4.225 -1.285 1.00 53.04 H new ATOM 0 HD23 LEU A 69 8.761 -2.951 -0.781 1.00 53.04 H new ATOM 1112 N LYS A 70 12.881 -6.731 -1.354 1.00 75.21 N ATOM 1113 CA LYS A 70 14.239 -6.406 -1.818 1.00 53.32 C ATOM 1114 C LYS A 70 15.208 -6.287 -0.642 1.00 12.02 C ATOM 1115 O LYS A 70 15.894 -5.280 -0.460 1.00 5.12 O ATOM 1116 CB LYS A 70 14.222 -5.190 -2.740 1.00 4.34 C ATOM 1117 CG LYS A 70 13.556 -5.536 -4.076 1.00 22.14 C ATOM 1118 CD LYS A 70 12.428 -4.585 -4.470 1.00 0.24 C ATOM 1119 CE LYS A 70 12.868 -3.229 -5.035 1.00 61.32 C ATOM 1120 NZ LYS A 70 13.693 -3.354 -6.257 1.00 41.34 N ATOM 0 H LYS A 70 12.464 -7.521 -1.846 1.00 75.21 H new ATOM 0 HA LYS A 70 14.617 -7.230 -2.424 1.00 53.32 H new ATOM 0 HB2 LYS A 70 13.685 -4.371 -2.261 1.00 4.34 H new ATOM 0 HB3 LYS A 70 15.241 -4.844 -2.914 1.00 4.34 H new ATOM 0 HG2 LYS A 70 14.313 -5.531 -4.860 1.00 22.14 H new ATOM 0 HG3 LYS A 70 13.161 -6.550 -4.022 1.00 22.14 H new ATOM 0 HD2 LYS A 70 11.802 -5.081 -5.212 1.00 0.24 H new ATOM 0 HD3 LYS A 70 11.804 -4.408 -3.594 1.00 0.24 H new ATOM 0 HE2 LYS A 70 11.985 -2.631 -5.259 1.00 61.32 H new ATOM 0 HE3 LYS A 70 13.434 -2.691 -4.275 1.00 61.32 H new ATOM 0 HZ1 LYS A 70 13.961 -2.407 -6.593 1.00 41.34 H new ATOM 0 HZ2 LYS A 70 14.551 -3.901 -6.042 1.00 41.34 H new ATOM 0 HZ3 LYS A 70 13.148 -3.842 -6.996 1.00 41.34 H new ATOM 1134 N GLU A 71 15.221 -7.345 0.168 1.00 12.23 N ATOM 1135 CA GLU A 71 16.027 -7.528 1.372 1.00 71.45 C ATOM 1136 C GLU A 71 15.865 -6.413 2.427 1.00 14.53 C ATOM 1137 O GLU A 71 16.714 -6.273 3.322 1.00 54.01 O ATOM 1138 CB GLU A 71 17.491 -7.849 1.014 1.00 74.53 C ATOM 1139 CG GLU A 71 17.647 -9.097 0.123 1.00 43.53 C ATOM 1140 CD GLU A 71 19.078 -9.648 0.084 1.00 40.22 C ATOM 1141 OE1 GLU A 71 20.050 -8.918 0.382 1.00 5.24 O ATOM 1142 OE2 GLU A 71 19.243 -10.861 -0.173 1.00 41.15 O ATOM 0 H GLU A 71 14.626 -8.153 -0.014 1.00 12.23 H new ATOM 0 HA GLU A 71 15.626 -8.403 1.883 1.00 71.45 H new ATOM 0 HB2 GLU A 71 17.928 -6.991 0.503 1.00 74.53 H new ATOM 0 HB3 GLU A 71 18.058 -7.996 1.933 1.00 74.53 H new ATOM 0 HG2 GLU A 71 16.976 -9.877 0.483 1.00 43.53 H new ATOM 0 HG3 GLU A 71 17.334 -8.851 -0.891 1.00 43.53 H new ATOM 1149 N LYS A 72 14.767 -5.647 2.380 1.00 63.44 N ATOM 1150 CA LYS A 72 14.436 -4.560 3.299 1.00 61.41 C ATOM 1151 C LYS A 72 13.083 -4.872 3.922 1.00 52.41 C ATOM 1152 O LYS A 72 12.102 -5.088 3.211 1.00 24.41 O ATOM 1153 CB LYS A 72 14.422 -3.214 2.552 1.00 43.02 C ATOM 1154 CG LYS A 72 15.836 -2.636 2.385 1.00 63.44 C ATOM 1155 CD LYS A 72 16.358 -1.953 3.653 1.00 43.14 C ATOM 1156 CE LYS A 72 15.652 -0.622 3.934 1.00 45.31 C ATOM 1157 NZ LYS A 72 16.023 -0.104 5.263 1.00 10.54 N ATOM 0 H LYS A 72 14.053 -5.778 1.663 1.00 63.44 H new ATOM 0 HA LYS A 72 15.186 -4.477 4.086 1.00 61.41 H new ATOM 0 HB2 LYS A 72 13.967 -3.348 1.571 1.00 43.02 H new ATOM 0 HB3 LYS A 72 13.801 -2.503 3.097 1.00 43.02 H new ATOM 0 HG2 LYS A 72 16.519 -3.437 2.103 1.00 63.44 H new ATOM 0 HG3 LYS A 72 15.834 -1.917 1.566 1.00 63.44 H new ATOM 0 HD2 LYS A 72 16.221 -2.620 4.504 1.00 43.14 H new ATOM 0 HD3 LYS A 72 17.429 -1.779 3.553 1.00 43.14 H new ATOM 0 HE2 LYS A 72 15.919 0.106 3.167 1.00 45.31 H new ATOM 0 HE3 LYS A 72 14.572 -0.759 3.881 1.00 45.31 H new ATOM 0 HZ1 LYS A 72 15.534 0.798 5.433 1.00 10.54 H new ATOM 0 HZ2 LYS A 72 15.746 -0.791 5.993 1.00 10.54 H new ATOM 0 HZ3 LYS A 72 17.051 0.047 5.302 1.00 10.54 H new ATOM 1171 N LYS A 73 13.028 -4.941 5.249 1.00 64.53 N ATOM 1172 CA LYS A 73 11.811 -5.225 5.983 1.00 34.50 C ATOM 1173 C LYS A 73 11.041 -3.930 6.133 1.00 73.42 C ATOM 1174 O LYS A 73 11.429 -3.053 6.910 1.00 53.02 O ATOM 1175 CB LYS A 73 12.149 -5.796 7.349 1.00 40.25 C ATOM 1176 CG LYS A 73 10.868 -6.308 8.019 1.00 44.31 C ATOM 1177 CD LYS A 73 11.171 -7.412 9.029 1.00 64.20 C ATOM 1178 CE LYS A 73 11.525 -6.882 10.406 1.00 55.24 C ATOM 1179 NZ LYS A 73 12.725 -6.018 10.430 1.00 1.12 N ATOM 0 H LYS A 73 13.842 -4.798 5.848 1.00 64.53 H new ATOM 0 HA LYS A 73 11.209 -5.959 5.448 1.00 34.50 H new ATOM 0 HB2 LYS A 73 12.869 -6.608 7.248 1.00 40.25 H new ATOM 0 HB3 LYS A 73 12.616 -5.031 7.969 1.00 40.25 H new ATOM 0 HG2 LYS A 73 10.363 -5.482 8.521 1.00 44.31 H new ATOM 0 HG3 LYS A 73 10.184 -6.686 7.259 1.00 44.31 H new ATOM 0 HD2 LYS A 73 10.304 -8.068 9.111 1.00 64.20 H new ATOM 0 HD3 LYS A 73 11.996 -8.019 8.657 1.00 64.20 H new ATOM 0 HE2 LYS A 73 10.677 -6.319 10.796 1.00 55.24 H new ATOM 0 HE3 LYS A 73 11.684 -7.725 11.078 1.00 55.24 H new ATOM 0 HZ1 LYS A 73 13.120 -6.000 11.392 1.00 1.12 H new ATOM 0 HZ2 LYS A 73 13.436 -6.393 9.770 1.00 1.12 H new ATOM 0 HZ3 LYS A 73 12.464 -5.053 10.145 1.00 1.12 H new ATOM 1193 N ILE A 74 9.988 -3.809 5.351 1.00 5.51 N ATOM 1194 CA ILE A 74 9.129 -2.641 5.335 1.00 21.45 C ATOM 1195 C ILE A 74 8.016 -2.758 6.371 1.00 15.03 C ATOM 1196 O ILE A 74 7.782 -3.820 6.945 1.00 44.35 O ATOM 1197 CB ILE A 74 8.591 -2.432 3.916 1.00 34.24 C ATOM 1198 CG1 ILE A 74 7.660 -3.576 3.484 1.00 32.25 C ATOM 1199 CG2 ILE A 74 9.767 -2.228 2.940 1.00 23.51 C ATOM 1200 CD1 ILE A 74 7.195 -3.409 2.047 1.00 45.43 C ATOM 0 H ILE A 74 9.699 -4.534 4.695 1.00 5.51 H new ATOM 0 HA ILE A 74 9.706 -1.760 5.614 1.00 21.45 H new ATOM 0 HB ILE A 74 7.979 -1.530 3.901 1.00 34.24 H new ATOM 0 HG12 ILE A 74 8.180 -4.528 3.590 1.00 32.25 H new ATOM 0 HG13 ILE A 74 6.794 -3.610 4.145 1.00 32.25 H new ATOM 0 HG21 ILE A 74 9.381 -2.080 1.931 1.00 23.51 H new ATOM 0 HG22 ILE A 74 10.342 -1.352 3.241 1.00 23.51 H new ATOM 0 HG23 ILE A 74 10.410 -3.108 2.957 1.00 23.51 H new ATOM 0 HD11 ILE A 74 6.539 -4.237 1.778 1.00 45.43 H new ATOM 0 HD12 ILE A 74 6.653 -2.469 1.947 1.00 45.43 H new ATOM 0 HD13 ILE A 74 8.060 -3.401 1.383 1.00 45.43 H new ATOM 1212 N ASN A 75 7.308 -1.657 6.594 1.00 74.35 N ATOM 1213 CA ASN A 75 6.199 -1.541 7.533 1.00 12.21 C ATOM 1214 C ASN A 75 4.953 -1.049 6.816 1.00 4.40 C ATOM 1215 O ASN A 75 5.092 -0.358 5.811 1.00 12.44 O ATOM 1216 CB ASN A 75 6.545 -0.522 8.629 1.00 21.10 C ATOM 1217 CG ASN A 75 6.983 0.834 8.093 1.00 21.24 C ATOM 1218 OD1 ASN A 75 8.166 1.078 7.891 1.00 54.14 O ATOM 1219 ND2 ASN A 75 6.070 1.746 7.821 1.00 22.23 N ATOM 0 H ASN A 75 7.500 -0.783 6.104 1.00 74.35 H new ATOM 0 HA ASN A 75 6.019 -2.524 7.969 1.00 12.21 H new ATOM 0 HB2 ASN A 75 5.675 -0.384 9.271 1.00 21.10 H new ATOM 0 HB3 ASN A 75 7.341 -0.930 9.253 1.00 21.10 H new ATOM 0 HD21 ASN A 75 6.350 2.651 7.444 1.00 22.23 H new ATOM 0 HD22 ASN A 75 5.084 1.546 7.988 1.00 22.23 H new ATOM 1226 N VAL A 76 3.762 -1.366 7.331 1.00 60.34 N ATOM 1227 CA VAL A 76 2.474 -0.944 6.787 1.00 41.53 C ATOM 1228 C VAL A 76 1.638 -0.432 7.965 1.00 14.24 C ATOM 1229 O VAL A 76 1.691 -1.019 9.051 1.00 65.43 O ATOM 1230 CB VAL A 76 1.763 -2.091 6.042 1.00 53.31 C ATOM 1231 CG1 VAL A 76 0.448 -1.613 5.413 1.00 22.02 C ATOM 1232 CG2 VAL A 76 2.592 -2.683 4.900 1.00 12.01 C ATOM 0 H VAL A 76 3.668 -1.943 8.167 1.00 60.34 H new ATOM 0 HA VAL A 76 2.615 -0.157 6.046 1.00 41.53 H new ATOM 0 HB VAL A 76 1.597 -2.850 6.806 1.00 53.31 H new ATOM 0 HG11 VAL A 76 -0.031 -2.444 4.895 1.00 22.02 H new ATOM 0 HG12 VAL A 76 -0.215 -1.242 6.194 1.00 22.02 H new ATOM 0 HG13 VAL A 76 0.654 -0.813 4.702 1.00 22.02 H new ATOM 0 HG21 VAL A 76 2.030 -3.485 4.420 1.00 12.01 H new ATOM 0 HG22 VAL A 76 2.811 -1.905 4.168 1.00 12.01 H new ATOM 0 HG23 VAL A 76 3.526 -3.081 5.297 1.00 12.01 H new ATOM 1242 N GLU A 77 0.855 0.630 7.762 1.00 63.10 N ATOM 1243 CA GLU A 77 -0.010 1.276 8.752 1.00 21.12 C ATOM 1244 C GLU A 77 -1.103 2.109 8.053 1.00 42.53 C ATOM 1245 O GLU A 77 -1.133 2.198 6.824 1.00 45.40 O ATOM 1246 CB GLU A 77 0.836 2.091 9.758 1.00 11.12 C ATOM 1247 CG GLU A 77 1.951 2.958 9.150 1.00 53.44 C ATOM 1248 CD GLU A 77 3.323 2.734 9.793 1.00 13.44 C ATOM 1249 OE1 GLU A 77 3.941 1.665 9.585 1.00 50.42 O ATOM 1250 OE2 GLU A 77 3.817 3.649 10.492 1.00 55.42 O ATOM 0 H GLU A 77 0.805 1.088 6.852 1.00 63.10 H new ATOM 0 HA GLU A 77 -0.531 0.515 9.334 1.00 21.12 H new ATOM 0 HB2 GLU A 77 0.167 2.739 10.325 1.00 11.12 H new ATOM 0 HB3 GLU A 77 1.287 1.398 10.469 1.00 11.12 H new ATOM 0 HG2 GLU A 77 2.021 2.749 8.083 1.00 53.44 H new ATOM 0 HG3 GLU A 77 1.679 4.009 9.252 1.00 53.44 H new ATOM 1257 N LEU A 78 -2.042 2.678 8.817 1.00 73.41 N ATOM 1258 CA LEU A 78 -3.154 3.484 8.312 1.00 74.01 C ATOM 1259 C LEU A 78 -2.808 4.964 8.230 1.00 11.31 C ATOM 1260 O LEU A 78 -2.043 5.477 9.043 1.00 62.43 O ATOM 1261 CB LEU A 78 -4.349 3.381 9.290 1.00 73.43 C ATOM 1262 CG LEU A 78 -5.536 2.524 8.843 1.00 64.32 C ATOM 1263 CD1 LEU A 78 -6.218 3.091 7.591 1.00 4.41 C ATOM 1264 CD2 LEU A 78 -5.127 1.065 8.649 1.00 75.11 C ATOM 0 H LEU A 78 -2.047 2.586 9.833 1.00 73.41 H new ATOM 0 HA LEU A 78 -3.386 3.102 7.318 1.00 74.01 H new ATOM 0 HB2 LEU A 78 -3.980 2.984 10.236 1.00 73.43 H new ATOM 0 HB3 LEU A 78 -4.713 4.389 9.488 1.00 73.43 H new ATOM 0 HG LEU A 78 -6.274 2.556 9.645 1.00 64.32 H new ATOM 0 HD11 LEU A 78 -7.054 2.451 7.311 1.00 4.41 H new ATOM 0 HD12 LEU A 78 -6.585 4.096 7.800 1.00 4.41 H new ATOM 0 HD13 LEU A 78 -5.500 3.130 6.772 1.00 4.41 H new ATOM 0 HD21 LEU A 78 -5.993 0.484 8.332 1.00 75.11 H new ATOM 0 HD22 LEU A 78 -4.349 1.003 7.888 1.00 75.11 H new ATOM 0 HD23 LEU A 78 -4.747 0.666 9.589 1.00 75.11 H new ATOM 1276 N THR A 79 -3.403 5.668 7.273 1.00 50.24 N ATOM 1277 CA THR A 79 -3.235 7.104 7.092 1.00 62.11 C ATOM 1278 C THR A 79 -4.528 7.616 6.465 1.00 31.41 C ATOM 1279 O THR A 79 -5.179 6.884 5.716 1.00 54.32 O ATOM 1280 CB THR A 79 -2.011 7.473 6.234 1.00 54.13 C ATOM 1281 OG1 THR A 79 -1.822 6.558 5.179 1.00 23.11 O ATOM 1282 CG2 THR A 79 -0.716 7.586 7.043 1.00 72.21 C ATOM 0 H THR A 79 -4.029 5.246 6.587 1.00 50.24 H new ATOM 0 HA THR A 79 -3.043 7.573 8.057 1.00 62.11 H new ATOM 0 HB THR A 79 -2.235 8.459 5.826 1.00 54.13 H new ATOM 0 HG1 THR A 79 -1.038 6.822 4.653 1.00 23.11 H new ATOM 0 HG21 THR A 79 0.107 7.848 6.378 1.00 72.21 H new ATOM 0 HG22 THR A 79 -0.828 8.359 7.803 1.00 72.21 H new ATOM 0 HG23 THR A 79 -0.503 6.631 7.524 1.00 72.21 H new ATOM 1290 N VAL A 80 -4.892 8.868 6.744 1.00 11.52 N ATOM 1291 CA VAL A 80 -6.081 9.560 6.248 1.00 42.01 C ATOM 1292 C VAL A 80 -7.391 8.932 6.739 1.00 75.31 C ATOM 1293 O VAL A 80 -8.135 9.555 7.494 1.00 52.42 O ATOM 1294 CB VAL A 80 -6.017 9.709 4.706 1.00 44.54 C ATOM 1295 CG1 VAL A 80 -7.189 10.547 4.184 1.00 22.40 C ATOM 1296 CG2 VAL A 80 -4.676 10.311 4.245 1.00 21.32 C ATOM 0 H VAL A 80 -4.332 9.460 7.358 1.00 11.52 H new ATOM 0 HA VAL A 80 -6.081 10.563 6.675 1.00 42.01 H new ATOM 0 HB VAL A 80 -6.094 8.707 4.284 1.00 44.54 H new ATOM 0 HG11 VAL A 80 -7.119 10.635 3.100 1.00 22.40 H new ATOM 0 HG12 VAL A 80 -8.129 10.063 4.449 1.00 22.40 H new ATOM 0 HG13 VAL A 80 -7.154 11.540 4.632 1.00 22.40 H new ATOM 0 HG21 VAL A 80 -4.671 10.399 3.159 1.00 21.32 H new ATOM 0 HG22 VAL A 80 -4.548 11.298 4.690 1.00 21.32 H new ATOM 0 HG23 VAL A 80 -3.859 9.663 4.560 1.00 21.32 H new ATOM 1306 N GLY A 81 -7.684 7.720 6.280 1.00 62.24 N ATOM 1307 CA GLY A 81 -8.867 6.937 6.577 1.00 41.01 C ATOM 1308 C GLY A 81 -8.965 6.395 7.996 1.00 43.43 C ATOM 1309 O GLY A 81 -10.059 5.996 8.401 1.00 13.32 O ATOM 0 H GLY A 81 -7.053 7.229 5.646 1.00 62.24 H new ATOM 0 HA2 GLY A 81 -9.745 7.553 6.382 1.00 41.01 H new ATOM 0 HA3 GLY A 81 -8.907 6.097 5.884 1.00 41.01 H new ATOM 1313 N GLY A 82 -7.862 6.368 8.739 1.00 24.01 N ATOM 1314 CA GLY A 82 -7.803 5.884 10.102 1.00 10.42 C ATOM 1315 C GLY A 82 -6.824 6.771 10.811 1.00 23.13 C ATOM 1316 O GLY A 82 -7.272 7.658 11.561 1.00 42.44 O ATOM 0 H GLY A 82 -6.960 6.694 8.392 1.00 24.01 H new ATOM 0 HA2 GLY A 82 -8.784 5.928 10.575 1.00 10.42 H new ATOM 0 HA3 GLY A 82 -7.481 4.843 10.133 1.00 10.42 H new TER 1320 GLY A 82