USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 613 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 Single : A 20 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=-0.47) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.0837 X(o=-0.084,f=-0.089) USER MOD Single : A 40 GLN : amide:sc=-0.00578 K(o=-0.0058,f=-0.81) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 171:sc= 0.938 USER MOD Single : A 48 HIS : no HD1:sc= -2.11 X(o=-2.1,f=-1.7) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -2.93 K(o=-2.9,f=-3.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 74 HIS : no HE2:sc= -0.647 K(o=-0.65,f=-2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.3) USER MOD Single : A 84 THR OG1 : rot -53:sc= 0.954 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -30:sc= 0.351 USER MOD Single : A 94 LYS NZ :NH3+ 140:sc= -0.463 (180deg=-3.34!) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 97 SER OG : rot 55:sc= 0.0106 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 20 9.792 -3.229 -4.029 1.00 12.43 N ATOM 2 CA HIS A 20 10.368 -2.529 -5.172 1.00 21.24 C ATOM 3 C HIS A 20 9.361 -2.431 -6.313 1.00 74.32 C ATOM 4 O HIS A 20 8.351 -3.135 -6.324 1.00 51.24 O ATOM 5 CB HIS A 20 11.631 -3.245 -5.651 1.00 21.53 C ATOM 6 CG HIS A 20 11.406 -4.682 -6.009 1.00 55.05 C ATOM 7 ND1 HIS A 20 10.912 -5.084 -7.233 1.00 14.53 N ATOM 8 CD2 HIS A 20 11.611 -5.815 -5.298 1.00 41.00 C ATOM 9 CE1 HIS A 20 10.821 -6.401 -7.257 1.00 64.34 C ATOM 10 NE2 HIS A 20 11.240 -6.870 -6.096 1.00 2.54 N ATOM 0 HA HIS A 20 10.630 -1.520 -4.854 1.00 21.24 H new ATOM 0 HB2 HIS A 20 12.028 -2.721 -6.520 1.00 21.53 H new ATOM 0 HB3 HIS A 20 12.389 -3.188 -4.870 1.00 21.53 H new ATOM 0 HD2 HIS A 20 11.995 -5.878 -4.291 1.00 41.00 H new ATOM 0 HE1 HIS A 20 10.464 -6.994 -8.086 1.00 64.34 H new ATOM 0 HE2 HIS A 20 11.281 -7.855 -5.834 1.00 2.54 H new ATOM 18 N MET A 21 9.642 -1.554 -7.271 1.00 1.01 N ATOM 19 CA MET A 21 8.760 -1.365 -8.417 1.00 2.12 C ATOM 20 C MET A 21 7.358 -0.969 -7.964 1.00 43.04 C ATOM 21 O MET A 21 6.441 -1.789 -7.966 1.00 30.34 O ATOM 22 CB MET A 21 8.696 -2.643 -9.255 1.00 24.22 C ATOM 23 CG MET A 21 8.288 -2.403 -10.699 1.00 63.32 C ATOM 24 SD MET A 21 9.217 -3.422 -11.862 1.00 1.52 S ATOM 25 CE MET A 21 9.544 -2.236 -13.164 1.00 22.00 C ATOM 0 H MET A 21 10.473 -0.963 -7.277 1.00 1.01 H new ATOM 0 HA MET A 21 9.167 -0.559 -9.028 1.00 2.12 H new ATOM 0 HB2 MET A 21 9.672 -3.128 -9.238 1.00 24.22 H new ATOM 0 HB3 MET A 21 7.988 -3.334 -8.796 1.00 24.22 H new ATOM 0 HG2 MET A 21 7.224 -2.609 -10.811 1.00 63.32 H new ATOM 0 HG3 MET A 21 8.436 -1.351 -10.944 1.00 63.32 H new ATOM 0 HE1 MET A 21 10.113 -2.717 -13.960 1.00 22.00 H new ATOM 0 HE2 MET A 21 8.600 -1.867 -13.565 1.00 22.00 H new ATOM 0 HE3 MET A 21 10.118 -1.402 -12.761 1.00 22.00 H new ATOM 35 N ALA A 22 7.200 0.293 -7.578 1.00 22.31 N ATOM 36 CA ALA A 22 5.910 0.797 -7.125 1.00 32.12 C ATOM 37 C ALA A 22 5.761 2.282 -7.436 1.00 53.14 C ATOM 38 O ALA A 22 5.325 3.063 -6.591 1.00 30.34 O ATOM 39 CB ALA A 22 5.741 0.549 -5.633 1.00 75.12 C ATOM 0 H ALA A 22 7.950 0.985 -7.570 1.00 22.31 H new ATOM 0 HA ALA A 22 5.129 0.260 -7.663 1.00 32.12 H new ATOM 0 HB1 ALA A 22 4.773 0.931 -5.308 1.00 75.12 H new ATOM 0 HB2 ALA A 22 5.795 -0.521 -5.434 1.00 75.12 H new ATOM 0 HB3 ALA A 22 6.534 1.060 -5.087 1.00 75.12 H new ATOM 45 N ALA A 23 6.126 2.666 -8.655 1.00 72.12 N ATOM 46 CA ALA A 23 6.031 4.058 -9.078 1.00 61.54 C ATOM 47 C ALA A 23 5.409 4.168 -10.466 1.00 40.22 C ATOM 48 O ALA A 23 5.401 3.216 -11.247 1.00 14.22 O ATOM 49 CB ALA A 23 7.406 4.709 -9.061 1.00 11.34 C ATOM 0 H ALA A 23 6.490 2.033 -9.367 1.00 72.12 H new ATOM 0 HA ALA A 23 5.384 4.583 -8.375 1.00 61.54 H new ATOM 0 HB1 ALA A 23 7.321 5.748 -9.379 1.00 11.34 H new ATOM 0 HB2 ALA A 23 7.814 4.671 -8.051 1.00 11.34 H new ATOM 0 HB3 ALA A 23 8.070 4.175 -9.741 1.00 11.34 H new ATOM 55 N PRO A 24 4.874 5.357 -10.783 1.00 25.11 N ATOM 56 CA PRO A 24 4.240 5.620 -12.078 1.00 31.21 C ATOM 57 C PRO A 24 5.249 5.659 -13.221 1.00 11.15 C ATOM 58 O PRO A 24 6.244 6.381 -13.157 1.00 33.33 O ATOM 59 CB PRO A 24 3.597 6.995 -11.885 1.00 13.40 C ATOM 60 CG PRO A 24 4.405 7.645 -10.815 1.00 33.31 C ATOM 61 CD PRO A 24 4.849 6.536 -9.901 1.00 51.12 C ATOM 0 HA PRO A 24 3.532 4.838 -12.351 1.00 31.21 H new ATOM 0 HB2 PRO A 24 3.621 7.576 -12.807 1.00 13.40 H new ATOM 0 HB3 PRO A 24 2.551 6.905 -11.592 1.00 13.40 H new ATOM 0 HG2 PRO A 24 5.262 8.170 -11.237 1.00 33.31 H new ATOM 0 HG3 PRO A 24 3.814 8.384 -10.274 1.00 33.31 H new ATOM 0 HD2 PRO A 24 5.830 6.738 -9.472 1.00 51.12 H new ATOM 0 HD3 PRO A 24 4.159 6.401 -9.068 1.00 51.12 H new ATOM 69 N GLN A 25 4.985 4.879 -14.264 1.00 11.30 N ATOM 70 CA GLN A 25 5.871 4.826 -15.421 1.00 22.24 C ATOM 71 C GLN A 25 5.727 6.080 -16.276 1.00 15.33 C ATOM 72 O GLN A 25 6.695 6.552 -16.873 1.00 33.44 O ATOM 73 CB GLN A 25 5.572 3.584 -16.262 1.00 23.44 C ATOM 74 CG GLN A 25 4.153 3.544 -16.805 1.00 20.43 C ATOM 75 CD GLN A 25 3.812 2.214 -17.449 1.00 51.50 C ATOM 76 OE1 GLN A 25 3.654 1.202 -16.766 1.00 1.54 O ATOM 77 NE2 GLN A 25 3.696 2.210 -18.772 1.00 31.01 N ATOM 0 H GLN A 25 4.166 4.275 -14.332 1.00 11.30 H new ATOM 0 HA GLN A 25 6.897 4.772 -15.058 1.00 22.24 H new ATOM 0 HB2 GLN A 25 6.273 3.543 -17.096 1.00 23.44 H new ATOM 0 HB3 GLN A 25 5.745 2.695 -15.656 1.00 23.44 H new ATOM 0 HG2 GLN A 25 3.452 3.741 -15.994 1.00 20.43 H new ATOM 0 HG3 GLN A 25 4.026 4.341 -17.537 1.00 20.43 H new ATOM 0 HE21 GLN A 25 3.835 3.072 -19.299 1.00 31.01 H new ATOM 0 HE22 GLN A 25 3.467 1.345 -19.261 1.00 31.01 H new ATOM 86 N ASP A 26 4.512 6.616 -16.331 1.00 21.23 N ATOM 87 CA ASP A 26 4.241 7.816 -17.113 1.00 14.54 C ATOM 88 C ASP A 26 3.980 9.011 -16.201 1.00 5.43 C ATOM 89 O ASP A 26 2.864 9.529 -16.141 1.00 22.25 O ATOM 90 CB ASP A 26 3.040 7.591 -18.033 1.00 62.22 C ATOM 91 CG ASP A 26 1.966 6.739 -17.386 1.00 0.24 C ATOM 92 OD1 ASP A 26 1.569 7.052 -16.243 1.00 73.25 O ATOM 93 OD2 ASP A 26 1.522 5.761 -18.021 1.00 70.53 O ATOM 0 H ASP A 26 3.700 6.238 -15.843 1.00 21.23 H new ATOM 0 HA ASP A 26 5.120 8.030 -17.721 1.00 14.54 H new ATOM 0 HB2 ASP A 26 2.615 8.555 -18.313 1.00 62.22 H new ATOM 0 HB3 ASP A 26 3.375 7.111 -18.952 1.00 62.22 H new ATOM 98 N LEU A 27 5.017 9.445 -15.492 1.00 20.42 N ATOM 99 CA LEU A 27 4.901 10.579 -14.581 1.00 60.44 C ATOM 100 C LEU A 27 6.023 11.584 -14.818 1.00 64.01 C ATOM 101 O LEU A 27 7.203 11.245 -14.728 1.00 64.34 O ATOM 102 CB LEU A 27 4.930 10.097 -13.130 1.00 12.34 C ATOM 103 CG LEU A 27 5.091 11.183 -12.066 1.00 2.45 C ATOM 104 CD1 LEU A 27 3.805 11.348 -11.271 1.00 31.41 C ATOM 105 CD2 LEU A 27 6.254 10.855 -11.140 1.00 73.11 C ATOM 0 H LEU A 27 5.947 9.029 -15.530 1.00 20.42 H new ATOM 0 HA LEU A 27 3.949 11.073 -14.774 1.00 60.44 H new ATOM 0 HB2 LEU A 27 4.006 9.554 -12.930 1.00 12.34 H new ATOM 0 HB3 LEU A 27 5.748 9.385 -13.021 1.00 12.34 H new ATOM 0 HG LEU A 27 5.307 12.126 -12.568 1.00 2.45 H new ATOM 0 HD11 LEU A 27 3.939 12.125 -10.519 1.00 31.41 H new ATOM 0 HD12 LEU A 27 2.995 11.630 -11.944 1.00 31.41 H new ATOM 0 HD13 LEU A 27 3.557 10.407 -10.780 1.00 31.41 H new ATOM 0 HD21 LEU A 27 6.354 11.639 -10.389 1.00 73.11 H new ATOM 0 HD22 LEU A 27 6.068 9.901 -10.646 1.00 73.11 H new ATOM 0 HD23 LEU A 27 7.174 10.790 -11.721 1.00 73.11 H new ATOM 117 N ASP A 28 5.648 12.822 -15.118 1.00 54.25 N ATOM 118 CA ASP A 28 6.622 13.879 -15.365 1.00 23.42 C ATOM 119 C ASP A 28 7.677 13.912 -14.263 1.00 42.13 C ATOM 120 O ASP A 28 7.355 13.819 -13.079 1.00 33.24 O ATOM 121 CB ASP A 28 5.923 15.235 -15.460 1.00 12.44 C ATOM 122 CG ASP A 28 6.580 16.156 -16.469 1.00 1.45 C ATOM 123 OD1 ASP A 28 7.827 16.192 -16.514 1.00 63.24 O ATOM 124 OD2 ASP A 28 5.847 16.842 -17.212 1.00 2.52 O ATOM 0 H ASP A 28 4.675 13.119 -15.196 1.00 54.25 H new ATOM 0 HA ASP A 28 7.118 13.669 -16.313 1.00 23.42 H new ATOM 0 HB2 ASP A 28 4.879 15.084 -15.736 1.00 12.44 H new ATOM 0 HB3 ASP A 28 5.928 15.712 -14.480 1.00 12.44 H new ATOM 129 N ILE A 29 8.938 14.045 -14.662 1.00 73.32 N ATOM 130 CA ILE A 29 10.039 14.090 -13.709 1.00 3.41 C ATOM 131 C ILE A 29 9.874 15.251 -12.733 1.00 62.51 C ATOM 132 O ILE A 29 10.451 15.247 -11.646 1.00 51.50 O ATOM 133 CB ILE A 29 11.397 14.225 -14.423 1.00 60.54 C ATOM 134 CG1 ILE A 29 12.541 14.160 -13.409 1.00 34.31 C ATOM 135 CG2 ILE A 29 11.454 15.524 -15.212 1.00 3.40 C ATOM 136 CD1 ILE A 29 12.554 12.885 -12.594 1.00 14.52 C ATOM 0 H ILE A 29 9.222 14.123 -15.639 1.00 73.32 H new ATOM 0 HA ILE A 29 10.018 13.149 -13.159 1.00 3.41 H new ATOM 0 HB ILE A 29 11.508 13.394 -15.120 1.00 60.54 H new ATOM 0 HG12 ILE A 29 13.490 14.254 -13.937 1.00 34.31 H new ATOM 0 HG13 ILE A 29 12.466 15.013 -12.734 1.00 34.31 H new ATOM 0 HG21 ILE A 29 12.420 15.605 -15.711 1.00 3.40 H new ATOM 0 HG22 ILE A 29 10.659 15.532 -15.957 1.00 3.40 H new ATOM 0 HG23 ILE A 29 11.324 16.368 -14.534 1.00 3.40 H new ATOM 0 HD11 ILE A 29 13.391 12.908 -11.896 1.00 14.52 H new ATOM 0 HD12 ILE A 29 11.620 12.799 -12.038 1.00 14.52 H new ATOM 0 HD13 ILE A 29 12.660 12.029 -13.260 1.00 14.52 H new ATOM 148 N ALA A 30 9.081 16.241 -13.129 1.00 23.02 N ATOM 149 CA ALA A 30 8.837 17.406 -12.288 1.00 13.12 C ATOM 150 C ALA A 30 7.879 17.070 -11.149 1.00 45.23 C ATOM 151 O ALA A 30 8.031 17.563 -10.032 1.00 12.45 O ATOM 152 CB ALA A 30 8.286 18.553 -13.122 1.00 74.12 C ATOM 0 H ALA A 30 8.597 16.259 -14.027 1.00 23.02 H new ATOM 0 HA ALA A 30 9.787 17.713 -11.851 1.00 13.12 H new ATOM 0 HB1 ALA A 30 8.108 19.416 -12.481 1.00 74.12 H new ATOM 0 HB2 ALA A 30 9.006 18.818 -13.897 1.00 74.12 H new ATOM 0 HB3 ALA A 30 7.349 18.247 -13.587 1.00 74.12 H new ATOM 158 N VAL A 31 6.893 16.228 -11.441 1.00 10.14 N ATOM 159 CA VAL A 31 5.911 15.826 -10.441 1.00 31.11 C ATOM 160 C VAL A 31 6.516 14.852 -9.437 1.00 23.34 C ATOM 161 O VAL A 31 6.039 14.732 -8.308 1.00 64.21 O ATOM 162 CB VAL A 31 4.679 15.172 -11.095 1.00 43.22 C ATOM 163 CG1 VAL A 31 3.732 14.636 -10.033 1.00 73.21 C ATOM 164 CG2 VAL A 31 3.969 16.165 -12.003 1.00 32.01 C ATOM 0 H VAL A 31 6.753 15.811 -12.361 1.00 10.14 H new ATOM 0 HA VAL A 31 5.600 16.732 -9.922 1.00 31.11 H new ATOM 0 HB VAL A 31 5.015 14.333 -11.704 1.00 43.22 H new ATOM 0 HG11 VAL A 31 2.868 14.178 -10.514 1.00 73.21 H new ATOM 0 HG12 VAL A 31 4.248 13.891 -9.428 1.00 73.21 H new ATOM 0 HG13 VAL A 31 3.400 15.455 -9.395 1.00 73.21 H new ATOM 0 HG21 VAL A 31 3.101 15.687 -12.457 1.00 32.01 H new ATOM 0 HG22 VAL A 31 3.645 17.025 -11.418 1.00 32.01 H new ATOM 0 HG23 VAL A 31 4.652 16.495 -12.786 1.00 32.01 H new ATOM 174 N TRP A 32 7.569 14.159 -9.854 1.00 63.34 N ATOM 175 CA TRP A 32 8.241 13.194 -8.991 1.00 0.44 C ATOM 176 C TRP A 32 9.073 13.903 -7.927 1.00 61.15 C ATOM 177 O TRP A 32 8.879 13.691 -6.730 1.00 12.23 O ATOM 178 CB TRP A 32 9.132 12.269 -9.821 1.00 4.32 C ATOM 179 CG TRP A 32 9.765 11.175 -9.016 1.00 61.40 C ATOM 180 CD1 TRP A 32 9.121 10.214 -8.290 1.00 70.54 C ATOM 181 CD2 TRP A 32 11.167 10.931 -8.854 1.00 74.50 C ATOM 182 NE1 TRP A 32 10.038 9.387 -7.687 1.00 74.41 N ATOM 183 CE2 TRP A 32 11.299 9.805 -8.018 1.00 24.32 C ATOM 184 CE3 TRP A 32 12.322 11.552 -9.335 1.00 70.14 C ATOM 185 CZ2 TRP A 32 12.541 9.291 -7.654 1.00 21.24 C ATOM 186 CZ3 TRP A 32 13.554 11.041 -8.973 1.00 35.33 C ATOM 187 CH2 TRP A 32 13.656 9.919 -8.139 1.00 75.03 C ATOM 0 H TRP A 32 7.976 14.247 -10.785 1.00 63.34 H new ATOM 0 HA TRP A 32 7.478 12.598 -8.491 1.00 0.44 H new ATOM 0 HB2 TRP A 32 8.538 11.825 -10.620 1.00 4.32 H new ATOM 0 HB3 TRP A 32 9.915 12.860 -10.296 1.00 4.32 H new ATOM 0 HD1 TRP A 32 8.049 10.118 -8.203 1.00 70.54 H new ATOM 0 HE1 TRP A 32 9.815 8.591 -7.090 1.00 74.41 H new ATOM 0 HE3 TRP A 32 12.253 12.417 -9.979 1.00 70.14 H new ATOM 0 HZ2 TRP A 32 12.621 8.427 -7.011 1.00 21.24 H new ATOM 0 HZ3 TRP A 32 14.453 11.514 -9.339 1.00 35.33 H new ATOM 0 HH2 TRP A 32 14.633 9.543 -7.874 1.00 75.03 H new ATOM 198 N LEU A 33 10.000 14.745 -8.372 1.00 31.43 N ATOM 199 CA LEU A 33 10.862 15.485 -7.457 1.00 40.42 C ATOM 200 C LEU A 33 10.065 16.531 -6.684 1.00 32.44 C ATOM 201 O LEU A 33 10.480 16.976 -5.615 1.00 4.45 O ATOM 202 CB LEU A 33 11.996 16.161 -8.229 1.00 44.34 C ATOM 203 CG LEU A 33 13.114 15.242 -8.722 1.00 24.53 C ATOM 204 CD1 LEU A 33 13.158 15.221 -10.242 1.00 22.13 C ATOM 205 CD2 LEU A 33 14.456 15.681 -8.154 1.00 11.44 C ATOM 0 H LEU A 33 10.174 14.932 -9.360 1.00 31.43 H new ATOM 0 HA LEU A 33 11.286 14.778 -6.744 1.00 40.42 H new ATOM 0 HB2 LEU A 33 11.567 16.673 -9.091 1.00 44.34 H new ATOM 0 HB3 LEU A 33 12.437 16.926 -7.591 1.00 44.34 H new ATOM 0 HG LEU A 33 12.907 14.231 -8.371 1.00 24.53 H new ATOM 0 HD11 LEU A 33 13.960 14.562 -10.574 1.00 22.13 H new ATOM 0 HD12 LEU A 33 12.206 14.857 -10.629 1.00 22.13 H new ATOM 0 HD13 LEU A 33 13.340 16.229 -10.615 1.00 22.13 H new ATOM 0 HD21 LEU A 33 15.240 15.015 -8.516 1.00 11.44 H new ATOM 0 HD22 LEU A 33 14.670 16.701 -8.473 1.00 11.44 H new ATOM 0 HD23 LEU A 33 14.421 15.642 -7.065 1.00 11.44 H new ATOM 217 N ALA A 34 8.916 16.916 -7.231 1.00 24.44 N ATOM 218 CA ALA A 34 8.059 17.905 -6.590 1.00 32.21 C ATOM 219 C ALA A 34 7.637 17.447 -5.198 1.00 22.41 C ATOM 220 O ALA A 34 7.258 18.259 -4.353 1.00 61.22 O ATOM 221 CB ALA A 34 6.835 18.179 -7.451 1.00 34.22 C ATOM 0 H ALA A 34 8.558 16.558 -8.116 1.00 24.44 H new ATOM 0 HA ALA A 34 8.629 18.828 -6.483 1.00 32.21 H new ATOM 0 HB1 ALA A 34 6.203 18.920 -6.960 1.00 34.22 H new ATOM 0 HB2 ALA A 34 7.151 18.558 -8.423 1.00 34.22 H new ATOM 0 HB3 ALA A 34 6.272 17.256 -7.588 1.00 34.22 H new ATOM 227 N THR A 35 7.705 16.140 -4.964 1.00 74.43 N ATOM 228 CA THR A 35 7.328 15.573 -3.675 1.00 41.14 C ATOM 229 C THR A 35 8.328 15.960 -2.592 1.00 22.53 C ATOM 230 O THR A 35 7.981 16.042 -1.413 1.00 62.44 O ATOM 231 CB THR A 35 7.230 14.037 -3.744 1.00 3.33 C ATOM 232 OG1 THR A 35 6.589 13.534 -2.567 1.00 14.45 O ATOM 233 CG2 THR A 35 8.611 13.413 -3.881 1.00 73.20 C ATOM 0 H THR A 35 8.018 15.454 -5.651 1.00 74.43 H new ATOM 0 HA THR A 35 6.349 15.980 -3.424 1.00 41.14 H new ATOM 0 HB THR A 35 6.639 13.771 -4.621 1.00 3.33 H new ATOM 0 HG1 THR A 35 6.529 12.557 -2.619 1.00 14.45 H new ATOM 0 HG21 THR A 35 8.517 12.328 -3.928 1.00 73.20 H new ATOM 0 HG22 THR A 35 9.085 13.776 -4.793 1.00 73.20 H new ATOM 0 HG23 THR A 35 9.221 13.688 -3.021 1.00 73.20 H new ATOM 241 N VAL A 36 9.571 16.197 -2.998 1.00 25.13 N ATOM 242 CA VAL A 36 10.622 16.577 -2.061 1.00 22.11 C ATOM 243 C VAL A 36 11.050 18.025 -2.273 1.00 31.23 C ATOM 244 O VAL A 36 12.093 18.454 -1.779 1.00 22.11 O ATOM 245 CB VAL A 36 11.855 15.664 -2.199 1.00 73.53 C ATOM 246 CG1 VAL A 36 11.536 14.259 -1.711 1.00 30.31 C ATOM 247 CG2 VAL A 36 12.340 15.639 -3.641 1.00 34.51 C ATOM 0 H VAL A 36 9.875 16.133 -3.969 1.00 25.13 H new ATOM 0 HA VAL A 36 10.207 16.466 -1.059 1.00 22.11 H new ATOM 0 HB VAL A 36 12.655 16.066 -1.577 1.00 73.53 H new ATOM 0 HG11 VAL A 36 12.419 13.628 -1.816 1.00 30.31 H new ATOM 0 HG12 VAL A 36 11.239 14.296 -0.663 1.00 30.31 H new ATOM 0 HG13 VAL A 36 10.721 13.844 -2.304 1.00 30.31 H new ATOM 0 HG21 VAL A 36 13.212 14.989 -3.721 1.00 34.51 H new ATOM 0 HG22 VAL A 36 11.546 15.262 -4.285 1.00 34.51 H new ATOM 0 HG23 VAL A 36 12.610 16.648 -3.952 1.00 34.51 H new ATOM 257 N HIS A 37 10.237 18.775 -3.010 1.00 34.41 N ATOM 258 CA HIS A 37 10.530 20.176 -3.287 1.00 2.35 C ATOM 259 C HIS A 37 11.810 20.312 -4.105 1.00 65.12 C ATOM 260 O HIS A 37 12.666 21.146 -3.805 1.00 61.24 O ATOM 261 CB HIS A 37 10.661 20.959 -1.980 1.00 2.32 C ATOM 262 CG HIS A 37 9.605 20.624 -0.972 1.00 24.41 C ATOM 263 ND1 HIS A 37 9.893 20.266 0.328 1.00 31.53 N ATOM 264 CD2 HIS A 37 8.256 20.595 -1.079 1.00 64.31 C ATOM 265 CE1 HIS A 37 8.767 20.029 0.977 1.00 55.12 C ATOM 266 NE2 HIS A 37 7.759 20.222 0.145 1.00 14.33 N ATOM 0 H HIS A 37 9.370 18.435 -3.426 1.00 34.41 H new ATOM 0 HA HIS A 37 9.704 20.587 -3.867 1.00 2.35 H new ATOM 0 HB2 HIS A 37 11.641 20.763 -1.546 1.00 2.32 H new ATOM 0 HB3 HIS A 37 10.617 22.026 -2.199 1.00 2.32 H new ATOM 0 HD2 HIS A 37 7.678 20.823 -1.963 1.00 64.31 H new ATOM 0 HE1 HIS A 37 8.685 19.729 2.011 1.00 55.12 H new ATOM 0 HE2 HIS A 37 6.771 20.112 0.375 1.00 14.33 H new ATOM 274 N LEU A 38 11.936 19.487 -5.139 1.00 11.20 N ATOM 275 CA LEU A 38 13.112 19.514 -6.001 1.00 44.41 C ATOM 276 C LEU A 38 12.718 19.359 -7.466 1.00 53.12 C ATOM 277 O LEU A 38 13.537 18.979 -8.302 1.00 74.50 O ATOM 278 CB LEU A 38 14.086 18.404 -5.603 1.00 45.10 C ATOM 279 CG LEU A 38 14.733 18.541 -4.224 1.00 33.31 C ATOM 280 CD1 LEU A 38 15.578 17.317 -3.907 1.00 62.01 C ATOM 281 CD2 LEU A 38 15.575 19.806 -4.153 1.00 11.14 C ATOM 0 H LEU A 38 11.238 18.791 -5.401 1.00 11.20 H new ATOM 0 HA LEU A 38 13.601 20.480 -5.876 1.00 44.41 H new ATOM 0 HB2 LEU A 38 13.556 17.452 -5.641 1.00 45.10 H new ATOM 0 HB3 LEU A 38 14.878 18.358 -6.351 1.00 45.10 H new ATOM 0 HG LEU A 38 13.941 18.614 -3.478 1.00 33.31 H new ATOM 0 HD11 LEU A 38 16.030 17.432 -2.922 1.00 62.01 H new ATOM 0 HD12 LEU A 38 14.948 16.428 -3.915 1.00 62.01 H new ATOM 0 HD13 LEU A 38 16.362 17.212 -4.657 1.00 62.01 H new ATOM 0 HD21 LEU A 38 16.028 19.887 -3.165 1.00 11.14 H new ATOM 0 HD22 LEU A 38 16.359 19.764 -4.909 1.00 11.14 H new ATOM 0 HD23 LEU A 38 14.942 20.675 -4.335 1.00 11.14 H new ATOM 293 N GLU A 39 11.458 19.658 -7.769 1.00 44.35 N ATOM 294 CA GLU A 39 10.956 19.553 -9.134 1.00 64.25 C ATOM 295 C GLU A 39 11.799 20.392 -10.091 1.00 23.15 C ATOM 296 O GLU A 39 11.863 20.111 -11.287 1.00 55.21 O ATOM 297 CB GLU A 39 9.494 20.000 -9.200 1.00 24.32 C ATOM 298 CG GLU A 39 9.291 21.467 -8.863 1.00 40.44 C ATOM 299 CD GLU A 39 8.722 22.259 -10.025 1.00 35.41 C ATOM 300 OE1 GLU A 39 9.273 22.156 -11.140 1.00 41.44 O ATOM 301 OE2 GLU A 39 7.723 22.980 -9.818 1.00 4.24 O ATOM 0 H GLU A 39 10.767 19.974 -7.088 1.00 44.35 H new ATOM 0 HA GLU A 39 11.023 18.508 -9.438 1.00 64.25 H new ATOM 0 HB2 GLU A 39 9.109 19.809 -10.202 1.00 24.32 H new ATOM 0 HB3 GLU A 39 8.906 19.393 -8.512 1.00 24.32 H new ATOM 0 HG2 GLU A 39 8.620 21.550 -8.008 1.00 40.44 H new ATOM 0 HG3 GLU A 39 10.244 21.902 -8.563 1.00 40.44 H new ATOM 308 N GLN A 40 12.444 21.422 -9.553 1.00 0.31 N ATOM 309 CA GLN A 40 13.282 22.303 -10.358 1.00 52.02 C ATOM 310 C GLN A 40 14.412 21.523 -11.021 1.00 62.21 C ATOM 311 O GLN A 40 14.920 21.918 -12.071 1.00 20.40 O ATOM 312 CB GLN A 40 13.859 23.424 -9.493 1.00 3.33 C ATOM 313 CG GLN A 40 14.931 22.954 -8.523 1.00 31.54 C ATOM 314 CD GLN A 40 14.995 23.801 -7.267 1.00 50.35 C ATOM 315 OE1 GLN A 40 14.505 24.930 -7.241 1.00 54.54 O ATOM 316 NE2 GLN A 40 15.601 23.260 -6.217 1.00 65.05 N ATOM 0 H GLN A 40 12.402 21.667 -8.564 1.00 0.31 H new ATOM 0 HA GLN A 40 12.660 22.740 -11.139 1.00 52.02 H new ATOM 0 HB2 GLN A 40 14.280 24.192 -10.142 1.00 3.33 H new ATOM 0 HB3 GLN A 40 13.050 23.890 -8.930 1.00 3.33 H new ATOM 0 HG2 GLN A 40 14.737 21.917 -8.248 1.00 31.54 H new ATOM 0 HG3 GLN A 40 15.900 22.976 -9.021 1.00 31.54 H new ATOM 0 HE21 GLN A 40 15.993 22.321 -6.283 1.00 65.05 H new ATOM 0 HE22 GLN A 40 15.674 23.784 -5.345 1.00 65.05 H new ATOM 325 N TYR A 41 14.802 20.414 -10.402 1.00 13.35 N ATOM 326 CA TYR A 41 15.874 19.580 -10.930 1.00 63.10 C ATOM 327 C TYR A 41 15.400 18.789 -12.145 1.00 65.44 C ATOM 328 O TYR A 41 16.193 18.133 -12.821 1.00 22.35 O ATOM 329 CB TYR A 41 16.383 18.623 -9.851 1.00 30.50 C ATOM 330 CG TYR A 41 17.713 19.029 -9.259 1.00 4.42 C ATOM 331 CD1 TYR A 41 18.792 19.346 -10.075 1.00 51.22 C ATOM 332 CD2 TYR A 41 17.891 19.098 -7.882 1.00 43.04 C ATOM 333 CE1 TYR A 41 20.009 19.718 -9.538 1.00 63.43 C ATOM 334 CE2 TYR A 41 19.105 19.470 -7.337 1.00 33.13 C ATOM 335 CZ TYR A 41 20.161 19.778 -8.169 1.00 13.33 C ATOM 336 OH TYR A 41 21.371 20.149 -7.630 1.00 44.20 O ATOM 0 H TYR A 41 14.391 20.072 -9.533 1.00 13.35 H new ATOM 0 HA TYR A 41 16.689 20.234 -11.240 1.00 63.10 H new ATOM 0 HB2 TYR A 41 15.643 18.562 -9.053 1.00 30.50 H new ATOM 0 HB3 TYR A 41 16.475 17.624 -10.277 1.00 30.50 H new ATOM 0 HD1 TYR A 41 18.677 19.301 -11.148 1.00 51.22 H new ATOM 0 HD2 TYR A 41 17.067 18.857 -7.227 1.00 43.04 H new ATOM 0 HE1 TYR A 41 20.837 19.961 -10.187 1.00 63.43 H new ATOM 0 HE2 TYR A 41 19.226 19.519 -6.265 1.00 33.13 H new ATOM 0 HH TYR A 41 21.309 20.142 -6.652 1.00 44.20 H new ATOM 346 N ALA A 42 14.101 18.857 -12.418 1.00 25.43 N ATOM 347 CA ALA A 42 13.521 18.150 -13.553 1.00 32.45 C ATOM 348 C ALA A 42 14.159 18.598 -14.863 1.00 73.31 C ATOM 349 O ALA A 42 14.178 17.851 -15.842 1.00 4.30 O ATOM 350 CB ALA A 42 12.015 18.366 -13.595 1.00 4.01 C ATOM 0 H ALA A 42 13.431 19.395 -11.869 1.00 25.43 H new ATOM 0 HA ALA A 42 13.721 17.086 -13.428 1.00 32.45 H new ATOM 0 HB1 ALA A 42 11.595 17.833 -14.447 1.00 4.01 H new ATOM 0 HB2 ALA A 42 11.568 17.990 -12.675 1.00 4.01 H new ATOM 0 HB3 ALA A 42 11.803 19.431 -13.693 1.00 4.01 H new ATOM 356 N ASP A 43 14.679 19.820 -14.875 1.00 55.10 N ATOM 357 CA ASP A 43 15.318 20.368 -16.066 1.00 32.41 C ATOM 358 C ASP A 43 16.498 19.502 -16.496 1.00 32.30 C ATOM 359 O ASP A 43 16.463 18.864 -17.549 1.00 24.10 O ATOM 360 CB ASP A 43 15.788 21.800 -15.806 1.00 20.52 C ATOM 361 CG ASP A 43 16.827 22.259 -16.810 1.00 2.05 C ATOM 362 OD1 ASP A 43 16.439 22.643 -17.933 1.00 14.23 O ATOM 363 OD2 ASP A 43 18.029 22.235 -16.472 1.00 10.24 O ATOM 0 H ASP A 43 14.671 20.450 -14.073 1.00 55.10 H new ATOM 0 HA ASP A 43 14.584 20.376 -16.871 1.00 32.41 H new ATOM 0 HB2 ASP A 43 14.931 22.473 -15.841 1.00 20.52 H new ATOM 0 HB3 ASP A 43 16.204 21.866 -14.801 1.00 20.52 H new ATOM 368 N THR A 44 17.543 19.484 -15.675 1.00 1.34 N ATOM 369 CA THR A 44 18.735 18.699 -15.971 1.00 13.25 C ATOM 370 C THR A 44 18.381 17.239 -16.226 1.00 63.51 C ATOM 371 O THR A 44 19.032 16.562 -17.023 1.00 52.21 O ATOM 372 CB THR A 44 19.757 18.775 -14.821 1.00 20.42 C ATOM 373 OG1 THR A 44 20.895 17.960 -15.123 1.00 44.33 O ATOM 374 CG2 THR A 44 19.133 18.317 -13.511 1.00 62.41 C ATOM 0 H THR A 44 17.588 20.005 -14.799 1.00 1.34 H new ATOM 0 HA THR A 44 19.180 19.125 -16.871 1.00 13.25 H new ATOM 0 HB THR A 44 20.072 19.813 -14.712 1.00 20.42 H new ATOM 0 HG1 THR A 44 21.599 18.122 -14.461 1.00 44.33 H new ATOM 0 HG21 THR A 44 19.874 18.379 -12.714 1.00 62.41 H new ATOM 0 HG22 THR A 44 18.284 18.957 -13.269 1.00 62.41 H new ATOM 0 HG23 THR A 44 18.793 17.286 -13.611 1.00 62.41 H new ATOM 382 N PHE A 45 17.346 16.757 -15.546 1.00 3.24 N ATOM 383 CA PHE A 45 16.906 15.375 -15.699 1.00 43.41 C ATOM 384 C PHE A 45 16.403 15.119 -17.117 1.00 13.35 C ATOM 385 O PHE A 45 16.848 14.187 -17.786 1.00 31.11 O ATOM 386 CB PHE A 45 15.804 15.054 -14.688 1.00 72.41 C ATOM 387 CG PHE A 45 16.204 14.020 -13.674 1.00 14.42 C ATOM 388 CD1 PHE A 45 17.183 14.297 -12.733 1.00 34.40 C ATOM 389 CD2 PHE A 45 15.600 12.773 -13.661 1.00 1.32 C ATOM 390 CE1 PHE A 45 17.553 13.347 -11.799 1.00 52.32 C ATOM 391 CE2 PHE A 45 15.966 11.820 -12.729 1.00 51.11 C ATOM 392 CZ PHE A 45 16.943 12.108 -11.796 1.00 52.14 C ATOM 0 H PHE A 45 16.796 17.303 -14.883 1.00 3.24 H new ATOM 0 HA PHE A 45 17.760 14.724 -15.513 1.00 43.41 H new ATOM 0 HB2 PHE A 45 15.520 15.970 -14.169 1.00 72.41 H new ATOM 0 HB3 PHE A 45 14.921 14.704 -15.223 1.00 72.41 H new ATOM 0 HD1 PHE A 45 17.662 15.265 -12.729 1.00 34.40 H new ATOM 0 HD2 PHE A 45 14.835 12.543 -14.387 1.00 1.32 H new ATOM 0 HE1 PHE A 45 18.319 13.574 -11.072 1.00 52.32 H new ATOM 0 HE2 PHE A 45 15.489 10.851 -12.730 1.00 51.11 H new ATOM 0 HZ PHE A 45 17.229 11.366 -11.066 1.00 52.14 H new ATOM 402 N ARG A 46 15.471 15.953 -17.567 1.00 2.42 N ATOM 403 CA ARG A 46 14.905 15.817 -18.903 1.00 61.04 C ATOM 404 C ARG A 46 15.999 15.878 -19.966 1.00 14.22 C ATOM 405 O ARG A 46 16.025 15.067 -20.891 1.00 73.14 O ATOM 406 CB ARG A 46 13.871 16.915 -19.157 1.00 12.32 C ATOM 407 CG ARG A 46 12.703 16.889 -18.184 1.00 62.40 C ATOM 408 CD ARG A 46 12.168 18.287 -17.917 1.00 64.13 C ATOM 409 NE ARG A 46 10.893 18.522 -18.588 1.00 54.11 N ATOM 410 CZ ARG A 46 10.376 19.730 -18.783 1.00 3.55 C ATOM 411 NH1 ARG A 46 11.024 20.807 -18.360 1.00 12.51 N ATOM 412 NH2 ARG A 46 9.210 19.863 -19.401 1.00 41.34 N ATOM 0 H ARG A 46 15.092 16.730 -17.026 1.00 2.42 H new ATOM 0 HA ARG A 46 14.415 14.845 -18.965 1.00 61.04 H new ATOM 0 HB2 ARG A 46 14.362 17.886 -19.096 1.00 12.32 H new ATOM 0 HB3 ARG A 46 13.489 16.815 -20.173 1.00 12.32 H new ATOM 0 HG2 ARG A 46 11.906 16.264 -18.587 1.00 62.40 H new ATOM 0 HG3 ARG A 46 13.020 16.434 -17.245 1.00 62.40 H new ATOM 0 HD2 ARG A 46 12.044 18.429 -16.843 1.00 64.13 H new ATOM 0 HD3 ARG A 46 12.896 19.024 -18.254 1.00 64.13 H new ATOM 0 HE ARG A 46 10.370 17.714 -18.926 1.00 54.11 H new ATOM 0 HH11 ARG A 46 11.921 20.709 -17.884 1.00 12.51 H new ATOM 0 HH12 ARG A 46 10.626 21.734 -18.511 1.00 12.51 H new ATOM 0 HH21 ARG A 46 8.709 19.037 -19.727 1.00 41.34 H new ATOM 0 HH22 ARG A 46 8.815 20.791 -19.550 1.00 41.34 H new ATOM 426 N ARG A 47 16.899 16.846 -19.826 1.00 31.22 N ATOM 427 CA ARG A 47 17.993 17.014 -20.774 1.00 44.02 C ATOM 428 C ARG A 47 18.916 15.799 -20.760 1.00 62.15 C ATOM 429 O ARG A 47 19.715 15.602 -21.677 1.00 53.21 O ATOM 430 CB ARG A 47 18.791 18.277 -20.446 1.00 41.40 C ATOM 431 CG ARG A 47 19.564 18.834 -21.630 1.00 44.22 C ATOM 432 CD ARG A 47 18.636 19.478 -22.649 1.00 25.53 C ATOM 433 NE ARG A 47 19.338 20.433 -23.502 1.00 2.25 N ATOM 434 CZ ARG A 47 20.180 20.078 -24.465 1.00 63.24 C ATOM 435 NH1 ARG A 47 20.424 18.795 -24.698 1.00 52.40 N ATOM 436 NH2 ARG A 47 20.780 21.006 -25.199 1.00 45.14 N ATOM 0 H ARG A 47 16.892 17.525 -19.065 1.00 31.22 H new ATOM 0 HA ARG A 47 17.564 17.112 -21.771 1.00 44.02 H new ATOM 0 HB2 ARG A 47 18.108 19.042 -20.076 1.00 41.40 H new ATOM 0 HB3 ARG A 47 19.489 18.056 -19.639 1.00 41.40 H new ATOM 0 HG2 ARG A 47 20.288 19.570 -21.280 1.00 44.22 H new ATOM 0 HG3 ARG A 47 20.129 18.033 -22.106 1.00 44.22 H new ATOM 0 HD2 ARG A 47 18.184 18.703 -23.268 1.00 25.53 H new ATOM 0 HD3 ARG A 47 17.823 19.985 -22.129 1.00 25.53 H new ATOM 0 HE ARG A 47 19.172 21.428 -23.349 1.00 2.25 H new ATOM 0 HH11 ARG A 47 19.964 18.078 -24.137 1.00 52.40 H new ATOM 0 HH12 ARG A 47 21.071 18.525 -25.439 1.00 52.40 H new ATOM 0 HH21 ARG A 47 20.595 21.994 -25.024 1.00 45.14 H new ATOM 0 HH22 ARG A 47 21.427 20.732 -25.939 1.00 45.14 H new ATOM 450 N HIS A 48 18.801 14.987 -19.714 1.00 65.24 N ATOM 451 CA HIS A 48 19.625 13.791 -19.581 1.00 64.42 C ATOM 452 C HIS A 48 18.988 12.608 -20.305 1.00 11.41 C ATOM 453 O HIS A 48 19.567 11.525 -20.374 1.00 54.04 O ATOM 454 CB HIS A 48 19.831 13.449 -18.105 1.00 42.21 C ATOM 455 CG HIS A 48 21.259 13.169 -17.748 1.00 54.14 C ATOM 456 ND1 HIS A 48 21.655 12.041 -17.061 1.00 43.41 N ATOM 457 CD2 HIS A 48 22.387 13.877 -17.989 1.00 53.34 C ATOM 458 CE1 HIS A 48 22.965 12.069 -16.893 1.00 63.12 C ATOM 459 NE2 HIS A 48 23.433 13.173 -17.448 1.00 24.52 N ATOM 0 H HIS A 48 18.146 15.135 -18.947 1.00 65.24 H new ATOM 0 HA HIS A 48 20.593 13.995 -20.038 1.00 64.42 H new ATOM 0 HB2 HIS A 48 19.468 14.276 -17.495 1.00 42.21 H new ATOM 0 HB3 HIS A 48 19.225 12.578 -17.854 1.00 42.21 H new ATOM 0 HD2 HIS A 48 22.452 14.821 -18.510 1.00 53.34 H new ATOM 0 HE1 HIS A 48 23.553 11.317 -16.388 1.00 63.12 H new ATOM 0 HE2 HIS A 48 24.413 13.456 -17.471 1.00 24.52 H new ATOM 467 N GLY A 49 17.791 12.825 -20.842 1.00 31.10 N ATOM 468 CA GLY A 49 17.094 11.768 -21.552 1.00 45.22 C ATOM 469 C GLY A 49 16.071 11.063 -20.684 1.00 40.24 C ATOM 470 O GLY A 49 15.607 9.972 -21.020 1.00 3.42 O ATOM 0 H GLY A 49 17.292 13.713 -20.798 1.00 31.10 H new ATOM 0 HA2 GLY A 49 16.596 12.188 -22.426 1.00 45.22 H new ATOM 0 HA3 GLY A 49 17.819 11.041 -21.917 1.00 45.22 H new ATOM 474 N LEU A 50 15.718 11.685 -19.565 1.00 3.12 N ATOM 475 CA LEU A 50 14.744 11.109 -18.644 1.00 52.53 C ATOM 476 C LEU A 50 13.804 12.183 -18.105 1.00 73.03 C ATOM 477 O LEU A 50 14.107 12.848 -17.115 1.00 65.14 O ATOM 478 CB LEU A 50 15.458 10.412 -17.485 1.00 52.01 C ATOM 479 CG LEU A 50 16.870 10.908 -17.171 1.00 32.31 C ATOM 480 CD1 LEU A 50 17.139 10.840 -15.676 1.00 14.45 C ATOM 481 CD2 LEU A 50 17.903 10.095 -17.937 1.00 42.35 C ATOM 0 H LEU A 50 16.091 12.588 -19.273 1.00 3.12 H new ATOM 0 HA LEU A 50 14.153 10.375 -19.192 1.00 52.53 H new ATOM 0 HB2 LEU A 50 14.848 10.524 -16.589 1.00 52.01 H new ATOM 0 HB3 LEU A 50 15.510 9.346 -17.705 1.00 52.01 H new ATOM 0 HG LEU A 50 16.948 11.948 -17.487 1.00 32.31 H new ATOM 0 HD11 LEU A 50 18.148 11.197 -15.471 1.00 14.45 H new ATOM 0 HD12 LEU A 50 16.419 11.465 -15.148 1.00 14.45 H new ATOM 0 HD13 LEU A 50 17.043 9.809 -15.335 1.00 14.45 H new ATOM 0 HD21 LEU A 50 18.902 10.462 -17.702 1.00 42.35 H new ATOM 0 HD22 LEU A 50 17.825 9.046 -17.652 1.00 42.35 H new ATOM 0 HD23 LEU A 50 17.723 10.194 -19.007 1.00 42.35 H new ATOM 493 N ALA A 51 12.660 12.345 -18.763 1.00 30.25 N ATOM 494 CA ALA A 51 11.673 13.334 -18.347 1.00 5.11 C ATOM 495 C ALA A 51 10.577 12.695 -17.502 1.00 71.40 C ATOM 496 O ALA A 51 9.551 13.316 -17.224 1.00 34.33 O ATOM 497 CB ALA A 51 11.072 14.022 -19.563 1.00 54.41 C ATOM 0 H ALA A 51 12.394 11.804 -19.586 1.00 30.25 H new ATOM 0 HA ALA A 51 12.178 14.080 -17.734 1.00 5.11 H new ATOM 0 HB1 ALA A 51 10.337 14.758 -19.238 1.00 54.41 H new ATOM 0 HB2 ALA A 51 11.861 14.521 -20.126 1.00 54.41 H new ATOM 0 HB3 ALA A 51 10.587 13.281 -20.198 1.00 54.41 H new ATOM 503 N THR A 52 10.800 11.448 -17.096 1.00 53.33 N ATOM 504 CA THR A 52 9.830 10.724 -16.285 1.00 32.23 C ATOM 505 C THR A 52 10.525 9.811 -15.281 1.00 62.24 C ATOM 506 O THR A 52 11.644 9.354 -15.515 1.00 75.32 O ATOM 507 CB THR A 52 8.884 9.880 -17.160 1.00 13.03 C ATOM 508 OG1 THR A 52 9.608 8.804 -17.768 1.00 14.54 O ATOM 509 CG2 THR A 52 8.237 10.736 -18.238 1.00 74.11 C ATOM 0 H THR A 52 11.644 10.919 -17.316 1.00 53.33 H new ATOM 0 HA THR A 52 9.246 11.472 -15.749 1.00 32.23 H new ATOM 0 HB THR A 52 8.100 9.474 -16.521 1.00 13.03 H new ATOM 0 HG1 THR A 52 8.999 8.271 -18.321 1.00 14.54 H new ATOM 0 HG21 THR A 52 7.573 10.119 -18.843 1.00 74.11 H new ATOM 0 HG22 THR A 52 7.663 11.536 -17.771 1.00 74.11 H new ATOM 0 HG23 THR A 52 9.011 11.168 -18.873 1.00 74.11 H new ATOM 517 N ALA A 53 9.855 9.549 -14.164 1.00 24.51 N ATOM 518 CA ALA A 53 10.408 8.687 -13.126 1.00 45.31 C ATOM 519 C ALA A 53 10.740 7.305 -13.678 1.00 54.15 C ATOM 520 O ALA A 53 11.619 6.615 -13.165 1.00 2.10 O ATOM 521 CB ALA A 53 9.436 8.573 -11.961 1.00 42.33 C ATOM 0 H ALA A 53 8.929 9.921 -13.954 1.00 24.51 H new ATOM 0 HA ALA A 53 11.334 9.138 -12.769 1.00 45.31 H new ATOM 0 HB1 ALA A 53 9.862 7.927 -11.194 1.00 42.33 H new ATOM 0 HB2 ALA A 53 9.253 9.562 -11.542 1.00 42.33 H new ATOM 0 HB3 ALA A 53 8.496 8.148 -12.312 1.00 42.33 H new ATOM 527 N GLY A 54 10.028 6.906 -14.729 1.00 1.34 N ATOM 528 CA GLY A 54 10.261 5.607 -15.332 1.00 41.44 C ATOM 529 C GLY A 54 11.483 5.596 -16.229 1.00 61.22 C ATOM 530 O GLY A 54 12.004 4.533 -16.566 1.00 70.10 O ATOM 0 H GLY A 54 9.295 7.459 -15.173 1.00 1.34 H new ATOM 0 HA2 GLY A 54 10.384 4.862 -14.546 1.00 41.44 H new ATOM 0 HA3 GLY A 54 9.385 5.317 -15.912 1.00 41.44 H new ATOM 534 N ALA A 55 11.941 6.781 -16.618 1.00 51.23 N ATOM 535 CA ALA A 55 13.109 6.903 -17.481 1.00 42.23 C ATOM 536 C ALA A 55 14.400 6.762 -16.681 1.00 53.23 C ATOM 537 O ALA A 55 15.457 6.466 -17.237 1.00 74.35 O ATOM 538 CB ALA A 55 13.085 8.235 -18.217 1.00 60.44 C ATOM 0 H ALA A 55 11.521 7.671 -16.349 1.00 51.23 H new ATOM 0 HA ALA A 55 13.075 6.095 -18.212 1.00 42.23 H new ATOM 0 HB1 ALA A 55 13.963 8.312 -18.858 1.00 60.44 H new ATOM 0 HB2 ALA A 55 12.184 8.297 -18.827 1.00 60.44 H new ATOM 0 HB3 ALA A 55 13.091 9.050 -17.494 1.00 60.44 H new ATOM 544 N ALA A 56 14.306 6.977 -15.373 1.00 40.42 N ATOM 545 CA ALA A 56 15.466 6.873 -14.497 1.00 21.12 C ATOM 546 C ALA A 56 15.791 5.415 -14.187 1.00 51.55 C ATOM 547 O ALA A 56 16.958 5.043 -14.062 1.00 74.25 O ATOM 548 CB ALA A 56 15.226 7.647 -13.209 1.00 61.00 C ATOM 0 H ALA A 56 13.438 7.224 -14.897 1.00 40.42 H new ATOM 0 HA ALA A 56 16.321 7.307 -15.015 1.00 21.12 H new ATOM 0 HB1 ALA A 56 16.101 7.561 -12.564 1.00 61.00 H new ATOM 0 HB2 ALA A 56 15.050 8.697 -13.443 1.00 61.00 H new ATOM 0 HB3 ALA A 56 14.355 7.239 -12.696 1.00 61.00 H new ATOM 554 N ARG A 57 14.752 4.596 -14.064 1.00 61.24 N ATOM 555 CA ARG A 57 14.928 3.179 -13.768 1.00 14.24 C ATOM 556 C ARG A 57 15.864 2.985 -12.578 1.00 73.24 C ATOM 557 O ARG A 57 16.566 1.979 -12.486 1.00 41.01 O ATOM 558 CB ARG A 57 15.480 2.445 -14.991 1.00 30.35 C ATOM 559 CG ARG A 57 14.620 1.274 -15.438 1.00 20.25 C ATOM 560 CD ARG A 57 15.073 0.732 -16.784 1.00 62.12 C ATOM 561 NE ARG A 57 15.972 -0.410 -16.640 1.00 42.02 N ATOM 562 CZ ARG A 57 15.567 -1.625 -16.288 1.00 55.04 C ATOM 563 NH1 ARG A 57 14.283 -1.855 -16.046 1.00 44.23 N ATOM 564 NH2 ARG A 57 16.445 -2.613 -16.179 1.00 21.25 N ATOM 0 H ARG A 57 13.780 4.889 -14.165 1.00 61.24 H new ATOM 0 HA ARG A 57 13.953 2.763 -13.513 1.00 14.24 H new ATOM 0 HB2 ARG A 57 15.575 3.151 -15.816 1.00 30.35 H new ATOM 0 HB3 ARG A 57 16.483 2.083 -14.765 1.00 30.35 H new ATOM 0 HG2 ARG A 57 14.666 0.481 -14.691 1.00 20.25 H new ATOM 0 HG3 ARG A 57 13.579 1.590 -15.504 1.00 20.25 H new ATOM 0 HD2 ARG A 57 14.201 0.436 -17.367 1.00 62.12 H new ATOM 0 HD3 ARG A 57 15.576 1.522 -17.342 1.00 62.12 H new ATOM 0 HE ARG A 57 16.966 -0.267 -16.820 1.00 42.02 H new ATOM 0 HH11 ARG A 57 13.605 -1.098 -16.130 1.00 44.23 H new ATOM 0 HH12 ARG A 57 13.974 -2.789 -15.776 1.00 44.23 H new ATOM 0 HH21 ARG A 57 17.433 -2.440 -16.366 1.00 21.25 H new ATOM 0 HH22 ARG A 57 16.132 -3.546 -15.909 1.00 21.25 H new ATOM 578 N GLY A 58 15.868 3.956 -11.670 1.00 61.11 N ATOM 579 CA GLY A 58 16.722 3.873 -10.499 1.00 72.15 C ATOM 580 C GLY A 58 18.152 4.277 -10.795 1.00 45.14 C ATOM 581 O GLY A 58 19.053 3.437 -10.806 1.00 4.21 O ATOM 0 H GLY A 58 15.295 4.798 -11.724 1.00 61.11 H new ATOM 0 HA2 GLY A 58 16.321 4.515 -9.715 1.00 72.15 H new ATOM 0 HA3 GLY A 58 16.708 2.853 -10.114 1.00 72.15 H new ATOM 585 N LEU A 59 18.363 5.566 -11.038 1.00 41.03 N ATOM 586 CA LEU A 59 19.695 6.080 -11.338 1.00 11.51 C ATOM 587 C LEU A 59 20.672 5.749 -10.214 1.00 50.44 C ATOM 588 O LEU A 59 20.315 5.084 -9.243 1.00 53.22 O ATOM 589 CB LEU A 59 19.642 7.594 -11.554 1.00 31.14 C ATOM 590 CG LEU A 59 19.752 8.070 -13.003 1.00 34.33 C ATOM 591 CD1 LEU A 59 19.568 9.577 -13.085 1.00 0.10 C ATOM 592 CD2 LEU A 59 21.091 7.660 -13.599 1.00 14.25 C ATOM 0 H LEU A 59 17.629 6.274 -11.033 1.00 41.03 H new ATOM 0 HA LEU A 59 20.046 5.601 -12.252 1.00 11.51 H new ATOM 0 HB2 LEU A 59 18.705 7.967 -11.140 1.00 31.14 H new ATOM 0 HB3 LEU A 59 20.448 8.051 -10.980 1.00 31.14 H new ATOM 0 HG LEU A 59 18.959 7.596 -13.582 1.00 34.33 H new ATOM 0 HD11 LEU A 59 19.650 9.898 -14.124 1.00 0.10 H new ATOM 0 HD12 LEU A 59 18.585 9.845 -12.699 1.00 0.10 H new ATOM 0 HD13 LEU A 59 20.338 10.070 -12.492 1.00 0.10 H new ATOM 0 HD21 LEU A 59 21.152 8.007 -14.630 1.00 14.25 H new ATOM 0 HD22 LEU A 59 21.899 8.105 -13.018 1.00 14.25 H new ATOM 0 HD23 LEU A 59 21.182 6.574 -13.576 1.00 14.25 H new ATOM 604 N GLY A 60 21.908 6.220 -10.353 1.00 54.54 N ATOM 605 CA GLY A 60 22.917 5.966 -9.342 1.00 33.00 C ATOM 606 C GLY A 60 23.506 7.243 -8.776 1.00 53.14 C ATOM 607 O GLY A 60 23.467 8.292 -9.421 1.00 34.15 O ATOM 0 H GLY A 60 22.228 6.773 -11.148 1.00 54.54 H new ATOM 0 HA2 GLY A 60 22.477 5.383 -8.533 1.00 33.00 H new ATOM 0 HA3 GLY A 60 23.715 5.362 -9.773 1.00 33.00 H new ATOM 611 N HIS A 61 24.052 7.156 -7.568 1.00 2.43 N ATOM 612 CA HIS A 61 24.651 8.315 -6.915 1.00 21.03 C ATOM 613 C HIS A 61 25.760 8.912 -7.777 1.00 34.34 C ATOM 614 O HIS A 61 25.893 10.131 -7.874 1.00 64.04 O ATOM 615 CB HIS A 61 25.208 7.924 -5.546 1.00 22.24 C ATOM 616 CG HIS A 61 24.282 8.235 -4.411 1.00 35.52 C ATOM 617 ND1 HIS A 61 23.828 9.507 -4.137 1.00 11.55 N ATOM 618 CD2 HIS A 61 23.722 7.428 -3.479 1.00 13.22 C ATOM 619 CE1 HIS A 61 23.031 9.471 -3.084 1.00 15.01 C ATOM 620 NE2 HIS A 61 22.949 8.221 -2.666 1.00 30.30 N ATOM 0 H HIS A 61 24.092 6.296 -7.021 1.00 2.43 H new ATOM 0 HA HIS A 61 23.874 9.068 -6.781 1.00 21.03 H new ATOM 0 HB2 HIS A 61 25.427 6.856 -5.543 1.00 22.24 H new ATOM 0 HB3 HIS A 61 26.153 8.443 -5.386 1.00 22.24 H new ATOM 0 HD2 HIS A 61 23.858 6.360 -3.391 1.00 13.22 H new ATOM 0 HE1 HIS A 61 22.531 10.320 -2.640 1.00 15.01 H new ATOM 0 HE2 HIS A 61 22.401 7.897 -1.869 1.00 30.30 H new ATOM 628 N GLU A 62 26.552 8.044 -8.398 1.00 74.43 N ATOM 629 CA GLU A 62 27.649 8.486 -9.250 1.00 41.32 C ATOM 630 C GLU A 62 27.120 9.161 -10.512 1.00 40.25 C ATOM 631 O GLU A 62 27.811 9.970 -11.132 1.00 35.14 O ATOM 632 CB GLU A 62 28.541 7.302 -9.628 1.00 31.43 C ATOM 633 CG GLU A 62 30.026 7.587 -9.482 1.00 42.23 C ATOM 634 CD GLU A 62 30.889 6.571 -10.205 1.00 41.34 C ATOM 635 OE1 GLU A 62 30.537 5.373 -10.188 1.00 1.51 O ATOM 636 OE2 GLU A 62 31.917 6.975 -10.789 1.00 53.21 O ATOM 0 H GLU A 62 26.454 7.031 -8.327 1.00 74.43 H new ATOM 0 HA GLU A 62 28.239 9.212 -8.690 1.00 41.32 H new ATOM 0 HB2 GLU A 62 28.281 6.448 -9.003 1.00 31.43 H new ATOM 0 HB3 GLU A 62 28.334 7.017 -10.660 1.00 31.43 H new ATOM 0 HG2 GLU A 62 30.241 8.583 -9.870 1.00 42.23 H new ATOM 0 HG3 GLU A 62 30.289 7.594 -8.424 1.00 42.23 H new ATOM 643 N GLU A 63 25.891 8.822 -10.887 1.00 74.52 N ATOM 644 CA GLU A 63 25.270 9.394 -12.076 1.00 73.51 C ATOM 645 C GLU A 63 24.746 10.799 -11.794 1.00 32.32 C ATOM 646 O GLU A 63 24.806 11.680 -12.652 1.00 51.21 O ATOM 647 CB GLU A 63 24.127 8.499 -12.562 1.00 50.51 C ATOM 648 CG GLU A 63 24.471 7.019 -12.564 1.00 52.42 C ATOM 649 CD GLU A 63 25.757 6.720 -13.309 1.00 41.44 C ATOM 650 OE1 GLU A 63 25.917 7.221 -14.442 1.00 62.52 O ATOM 651 OE2 GLU A 63 26.604 5.986 -12.759 1.00 31.13 O ATOM 0 H GLU A 63 25.306 8.154 -10.385 1.00 74.52 H new ATOM 0 HA GLU A 63 26.029 9.458 -12.856 1.00 73.51 H new ATOM 0 HB2 GLU A 63 23.256 8.660 -11.927 1.00 50.51 H new ATOM 0 HB3 GLU A 63 23.846 8.799 -13.571 1.00 50.51 H new ATOM 0 HG2 GLU A 63 24.562 6.670 -11.536 1.00 52.42 H new ATOM 0 HG3 GLU A 63 23.653 6.460 -13.020 1.00 52.42 H new ATOM 658 N LEU A 64 24.232 11.000 -10.586 1.00 12.24 N ATOM 659 CA LEU A 64 23.696 12.298 -10.189 1.00 23.24 C ATOM 660 C LEU A 64 24.806 13.341 -10.101 1.00 54.12 C ATOM 661 O LEU A 64 24.559 14.539 -10.242 1.00 11.14 O ATOM 662 CB LEU A 64 22.979 12.185 -8.842 1.00 40.42 C ATOM 663 CG LEU A 64 21.520 11.732 -8.895 1.00 15.30 C ATOM 664 CD1 LEU A 64 21.423 10.224 -8.728 1.00 35.13 C ATOM 665 CD2 LEU A 64 20.702 12.443 -7.827 1.00 35.04 C ATOM 0 H LEU A 64 24.175 10.281 -9.864 1.00 12.24 H new ATOM 0 HA LEU A 64 22.982 12.617 -10.948 1.00 23.24 H new ATOM 0 HB2 LEU A 64 23.533 11.486 -8.216 1.00 40.42 H new ATOM 0 HB3 LEU A 64 23.019 13.156 -8.349 1.00 40.42 H new ATOM 0 HG LEU A 64 21.113 11.995 -9.871 1.00 15.30 H new ATOM 0 HD11 LEU A 64 20.377 9.920 -8.768 1.00 35.13 H new ATOM 0 HD12 LEU A 64 21.975 9.733 -9.530 1.00 35.13 H new ATOM 0 HD13 LEU A 64 21.848 9.936 -7.766 1.00 35.13 H new ATOM 0 HD21 LEU A 64 19.666 12.108 -7.879 1.00 35.04 H new ATOM 0 HD22 LEU A 64 21.109 12.211 -6.843 1.00 35.04 H new ATOM 0 HD23 LEU A 64 20.744 13.519 -7.993 1.00 35.04 H new ATOM 677 N LYS A 65 26.029 12.878 -9.870 1.00 63.13 N ATOM 678 CA LYS A 65 27.179 13.769 -9.768 1.00 14.24 C ATOM 679 C LYS A 65 27.438 14.477 -11.093 1.00 42.44 C ATOM 680 O LYS A 65 27.705 15.678 -11.123 1.00 51.43 O ATOM 681 CB LYS A 65 28.422 12.985 -9.344 1.00 65.53 C ATOM 682 CG LYS A 65 28.408 12.562 -7.886 1.00 34.44 C ATOM 683 CD LYS A 65 29.812 12.302 -7.366 1.00 13.32 C ATOM 684 CE LYS A 65 29.924 10.927 -6.725 1.00 52.42 C ATOM 685 NZ LYS A 65 30.919 10.911 -5.617 1.00 51.14 N ATOM 0 H LYS A 65 26.250 11.890 -9.750 1.00 63.13 H new ATOM 0 HA LYS A 65 26.957 14.522 -9.012 1.00 14.24 H new ATOM 0 HB2 LYS A 65 28.512 12.097 -9.970 1.00 65.53 H new ATOM 0 HB3 LYS A 65 29.306 13.595 -9.528 1.00 65.53 H new ATOM 0 HG2 LYS A 65 27.935 13.339 -7.286 1.00 34.44 H new ATOM 0 HG3 LYS A 65 27.805 11.661 -7.774 1.00 34.44 H new ATOM 0 HD2 LYS A 65 30.525 12.381 -8.186 1.00 13.32 H new ATOM 0 HD3 LYS A 65 30.078 13.067 -6.637 1.00 13.32 H new ATOM 0 HE2 LYS A 65 28.949 10.624 -6.342 1.00 52.42 H new ATOM 0 HE3 LYS A 65 30.211 10.196 -7.481 1.00 52.42 H new ATOM 0 HZ1 LYS A 65 30.966 9.957 -5.206 1.00 51.14 H new ATOM 0 HZ2 LYS A 65 31.854 11.175 -5.987 1.00 51.14 H new ATOM 0 HZ3 LYS A 65 30.632 11.590 -4.883 1.00 51.14 H new ATOM 699 N GLN A 66 27.357 13.726 -12.187 1.00 33.35 N ATOM 700 CA GLN A 66 27.582 14.283 -13.515 1.00 2.11 C ATOM 701 C GLN A 66 26.335 14.999 -14.024 1.00 24.12 C ATOM 702 O GLN A 66 26.390 15.742 -15.005 1.00 0.15 O ATOM 703 CB GLN A 66 27.985 13.178 -14.493 1.00 4.21 C ATOM 704 CG GLN A 66 29.447 12.774 -14.385 1.00 72.31 C ATOM 705 CD GLN A 66 29.835 11.714 -15.397 1.00 21.32 C ATOM 706 OE1 GLN A 66 28.977 11.037 -15.964 1.00 62.50 O ATOM 707 NE2 GLN A 66 31.134 11.564 -15.629 1.00 10.01 N ATOM 0 H GLN A 66 27.137 12.730 -12.179 1.00 33.35 H new ATOM 0 HA GLN A 66 28.392 15.009 -13.444 1.00 2.11 H new ATOM 0 HB2 GLN A 66 27.361 12.302 -14.316 1.00 4.21 H new ATOM 0 HB3 GLN A 66 27.783 13.513 -15.510 1.00 4.21 H new ATOM 0 HG2 GLN A 66 30.075 13.654 -14.527 1.00 72.31 H new ATOM 0 HG3 GLN A 66 29.644 12.401 -13.380 1.00 72.31 H new ATOM 0 HE21 GLN A 66 31.811 12.147 -15.136 1.00 10.01 H new ATOM 0 HE22 GLN A 66 31.455 10.866 -16.300 1.00 10.01 H new ATOM 716 N LEU A 67 25.212 14.770 -13.352 1.00 5.21 N ATOM 717 CA LEU A 67 23.951 15.393 -13.736 1.00 54.21 C ATOM 718 C LEU A 67 23.958 16.884 -13.412 1.00 21.42 C ATOM 719 O LEU A 67 23.209 17.661 -14.001 1.00 14.33 O ATOM 720 CB LEU A 67 22.783 14.710 -13.021 1.00 64.05 C ATOM 721 CG LEU A 67 21.815 13.930 -13.912 1.00 2.13 C ATOM 722 CD1 LEU A 67 20.680 13.348 -13.084 1.00 21.31 C ATOM 723 CD2 LEU A 67 21.269 14.823 -15.016 1.00 14.31 C ATOM 0 H LEU A 67 25.149 14.158 -12.539 1.00 5.21 H new ATOM 0 HA LEU A 67 23.830 15.275 -14.813 1.00 54.21 H new ATOM 0 HB2 LEU A 67 23.189 14.027 -12.275 1.00 64.05 H new ATOM 0 HB3 LEU A 67 22.217 15.471 -12.483 1.00 64.05 H new ATOM 0 HG LEU A 67 22.359 13.107 -14.375 1.00 2.13 H new ATOM 0 HD11 LEU A 67 20.001 12.796 -13.734 1.00 21.31 H new ATOM 0 HD12 LEU A 67 21.088 12.675 -12.330 1.00 21.31 H new ATOM 0 HD13 LEU A 67 20.137 14.155 -12.593 1.00 21.31 H new ATOM 0 HD21 LEU A 67 20.582 14.251 -15.640 1.00 14.31 H new ATOM 0 HD22 LEU A 67 20.740 15.667 -14.573 1.00 14.31 H new ATOM 0 HD23 LEU A 67 22.093 15.191 -15.627 1.00 14.31 H new ATOM 735 N GLY A 68 24.813 17.275 -12.471 1.00 53.34 N ATOM 736 CA GLY A 68 24.904 18.672 -12.087 1.00 34.45 C ATOM 737 C GLY A 68 24.542 18.897 -10.632 1.00 34.31 C ATOM 738 O GLY A 68 24.255 20.023 -10.224 1.00 72.30 O ATOM 0 H GLY A 68 25.443 16.650 -11.968 1.00 53.34 H new ATOM 0 HA2 GLY A 68 25.918 19.030 -12.266 1.00 34.45 H new ATOM 0 HA3 GLY A 68 24.241 19.263 -12.719 1.00 34.45 H new ATOM 742 N ILE A 69 24.553 17.824 -9.848 1.00 61.11 N ATOM 743 CA ILE A 69 24.223 17.910 -8.431 1.00 51.20 C ATOM 744 C ILE A 69 25.476 17.808 -7.567 1.00 75.45 C ATOM 745 O ILE A 69 26.295 16.907 -7.748 1.00 74.33 O ATOM 746 CB ILE A 69 23.234 16.805 -8.015 1.00 63.10 C ATOM 747 CG1 ILE A 69 22.048 16.762 -8.980 1.00 70.23 C ATOM 748 CG2 ILE A 69 22.756 17.032 -6.589 1.00 33.22 C ATOM 749 CD1 ILE A 69 21.068 15.648 -8.685 1.00 24.25 C ATOM 0 H ILE A 69 24.787 16.885 -10.170 1.00 61.11 H new ATOM 0 HA ILE A 69 23.755 18.882 -8.275 1.00 51.20 H new ATOM 0 HB ILE A 69 23.747 15.844 -8.057 1.00 63.10 H new ATOM 0 HG12 ILE A 69 21.523 17.716 -8.940 1.00 70.23 H new ATOM 0 HG13 ILE A 69 22.422 16.646 -9.997 1.00 70.23 H new ATOM 0 HG21 ILE A 69 22.058 16.243 -6.309 1.00 33.22 H new ATOM 0 HG22 ILE A 69 23.610 17.017 -5.912 1.00 33.22 H new ATOM 0 HG23 ILE A 69 22.257 17.999 -6.522 1.00 33.22 H new ATOM 0 HD11 ILE A 69 20.254 15.679 -9.409 1.00 24.25 H new ATOM 0 HD12 ILE A 69 21.578 14.687 -8.753 1.00 24.25 H new ATOM 0 HD13 ILE A 69 20.665 15.774 -7.680 1.00 24.25 H new ATOM 761 N SER A 70 25.617 18.736 -6.627 1.00 11.12 N ATOM 762 CA SER A 70 26.771 18.752 -5.736 1.00 32.35 C ATOM 763 C SER A 70 26.332 18.665 -4.277 1.00 31.21 C ATOM 764 O SER A 70 27.160 18.559 -3.373 1.00 44.13 O ATOM 765 CB SER A 70 27.596 20.021 -5.957 1.00 13.11 C ATOM 766 OG SER A 70 26.794 21.066 -6.480 1.00 73.41 O ATOM 0 H SER A 70 24.947 19.487 -6.462 1.00 11.12 H new ATOM 0 HA SER A 70 27.387 17.883 -5.965 1.00 32.35 H new ATOM 0 HB2 SER A 70 28.042 20.338 -5.014 1.00 13.11 H new ATOM 0 HB3 SER A 70 28.417 19.810 -6.643 1.00 13.11 H new ATOM 0 HG SER A 70 27.344 21.866 -6.611 1.00 73.41 H new ATOM 772 N ALA A 71 25.022 18.710 -4.056 1.00 41.21 N ATOM 773 CA ALA A 71 24.472 18.635 -2.709 1.00 34.44 C ATOM 774 C ALA A 71 24.145 17.194 -2.329 1.00 4.23 C ATOM 775 O ALA A 71 23.097 16.665 -2.700 1.00 22.12 O ATOM 776 CB ALA A 71 23.230 19.506 -2.596 1.00 54.32 C ATOM 0 H ALA A 71 24.322 18.798 -4.793 1.00 41.21 H new ATOM 0 HA ALA A 71 25.226 19.005 -2.015 1.00 34.44 H new ATOM 0 HB1 ALA A 71 22.830 19.440 -1.584 1.00 54.32 H new ATOM 0 HB2 ALA A 71 23.490 20.541 -2.816 1.00 54.32 H new ATOM 0 HB3 ALA A 71 22.478 19.162 -3.306 1.00 54.32 H new ATOM 782 N THR A 72 25.050 16.563 -1.587 1.00 3.21 N ATOM 783 CA THR A 72 24.860 15.183 -1.158 1.00 53.34 C ATOM 784 C THR A 72 23.499 14.996 -0.497 1.00 60.12 C ATOM 785 O THR A 72 22.817 13.999 -0.730 1.00 54.13 O ATOM 786 CB THR A 72 25.961 14.743 -0.175 1.00 54.11 C ATOM 787 OG1 THR A 72 27.028 15.698 -0.175 1.00 70.34 O ATOM 788 CG2 THR A 72 26.501 13.370 -0.547 1.00 11.53 C ATOM 0 H THR A 72 25.922 16.986 -1.271 1.00 3.21 H new ATOM 0 HA THR A 72 24.915 14.563 -2.053 1.00 53.34 H new ATOM 0 HB THR A 72 25.526 14.686 0.823 1.00 54.11 H new ATOM 0 HG1 THR A 72 27.723 15.412 0.454 1.00 70.34 H new ATOM 0 HG21 THR A 72 27.277 13.080 0.161 1.00 11.53 H new ATOM 0 HG22 THR A 72 25.692 12.640 -0.517 1.00 11.53 H new ATOM 0 HG23 THR A 72 26.921 13.404 -1.552 1.00 11.53 H new ATOM 796 N GLY A 73 23.109 15.962 0.329 1.00 4.02 N ATOM 797 CA GLY A 73 21.831 15.884 1.011 1.00 12.11 C ATOM 798 C GLY A 73 20.666 15.766 0.048 1.00 63.41 C ATOM 799 O GLY A 73 19.681 15.085 0.335 1.00 54.52 O ATOM 0 H GLY A 73 23.656 16.797 0.538 1.00 4.02 H new ATOM 0 HA2 GLY A 73 21.832 15.025 1.682 1.00 12.11 H new ATOM 0 HA3 GLY A 73 21.698 16.771 1.630 1.00 12.11 H new ATOM 803 N HIS A 74 20.778 16.430 -1.098 1.00 11.32 N ATOM 804 CA HIS A 74 19.725 16.397 -2.107 1.00 11.24 C ATOM 805 C HIS A 74 19.777 15.098 -2.904 1.00 62.41 C ATOM 806 O HIS A 74 18.743 14.505 -3.211 1.00 70.42 O ATOM 807 CB HIS A 74 19.855 17.594 -3.050 1.00 22.43 C ATOM 808 CG HIS A 74 19.715 18.917 -2.362 1.00 20.41 C ATOM 809 ND1 HIS A 74 20.202 20.094 -2.889 1.00 13.21 N ATOM 810 CD2 HIS A 74 19.137 19.245 -1.183 1.00 31.53 C ATOM 811 CE1 HIS A 74 19.931 21.089 -2.063 1.00 35.10 C ATOM 812 NE2 HIS A 74 19.284 20.600 -1.020 1.00 3.01 N ATOM 0 H HIS A 74 21.587 16.997 -1.351 1.00 11.32 H new ATOM 0 HA HIS A 74 18.764 16.450 -1.596 1.00 11.24 H new ATOM 0 HB2 HIS A 74 20.825 17.552 -3.545 1.00 22.43 H new ATOM 0 HB3 HIS A 74 19.096 17.517 -3.829 1.00 22.43 H new ATOM 0 HD1 HIS A 74 20.695 20.183 -3.778 1.00 13.21 H new ATOM 0 HD2 HIS A 74 18.650 18.567 -0.498 1.00 31.53 H new ATOM 0 HE1 HIS A 74 20.194 22.126 -2.215 1.00 35.10 H new ATOM 820 N ARG A 75 20.988 14.661 -3.237 1.00 13.52 N ATOM 821 CA ARG A 75 21.174 13.433 -4.000 1.00 42.53 C ATOM 822 C ARG A 75 20.538 12.246 -3.283 1.00 65.25 C ATOM 823 O ARG A 75 19.726 11.521 -3.859 1.00 44.21 O ATOM 824 CB ARG A 75 22.664 13.169 -4.225 1.00 40.14 C ATOM 825 CG ARG A 75 23.033 12.970 -5.686 1.00 43.44 C ATOM 826 CD ARG A 75 24.537 12.831 -5.867 1.00 12.11 C ATOM 827 NE ARG A 75 25.271 13.888 -5.176 1.00 63.32 N ATOM 828 CZ ARG A 75 26.537 13.772 -4.792 1.00 24.03 C ATOM 829 NH1 ARG A 75 27.206 12.652 -5.030 1.00 3.24 N ATOM 830 NH2 ARG A 75 27.137 14.778 -4.168 1.00 63.01 N ATOM 0 H ARG A 75 21.854 15.139 -2.990 1.00 13.52 H new ATOM 0 HA ARG A 75 20.684 13.556 -4.966 1.00 42.53 H new ATOM 0 HB2 ARG A 75 23.237 14.005 -3.825 1.00 40.14 H new ATOM 0 HB3 ARG A 75 22.957 12.283 -3.661 1.00 40.14 H new ATOM 0 HG2 ARG A 75 22.535 12.079 -6.070 1.00 43.44 H new ATOM 0 HG3 ARG A 75 22.671 13.815 -6.272 1.00 43.44 H new ATOM 0 HD2 ARG A 75 24.859 11.860 -5.491 1.00 12.11 H new ATOM 0 HD3 ARG A 75 24.778 12.857 -6.930 1.00 12.11 H new ATOM 0 HE ARG A 75 24.785 14.763 -4.978 1.00 63.32 H new ATOM 0 HH11 ARG A 75 26.748 11.877 -5.509 1.00 3.24 H new ATOM 0 HH12 ARG A 75 28.178 12.566 -4.734 1.00 3.24 H new ATOM 0 HH21 ARG A 75 26.626 15.641 -3.983 1.00 63.01 H new ATOM 0 HH22 ARG A 75 28.109 14.688 -3.873 1.00 63.01 H new ATOM 844 N LYS A 76 20.914 12.052 -2.024 1.00 32.32 N ATOM 845 CA LYS A 76 20.381 10.953 -1.227 1.00 0.22 C ATOM 846 C LYS A 76 18.893 11.149 -0.957 1.00 35.31 C ATOM 847 O LYS A 76 18.202 10.222 -0.533 1.00 21.12 O ATOM 848 CB LYS A 76 21.140 10.842 0.098 1.00 71.35 C ATOM 849 CG LYS A 76 22.641 10.685 -0.073 1.00 41.30 C ATOM 850 CD LYS A 76 23.380 10.948 1.228 1.00 25.12 C ATOM 851 CE LYS A 76 22.990 9.945 2.303 1.00 2.02 C ATOM 852 NZ LYS A 76 24.160 9.151 2.772 1.00 74.25 N ATOM 0 H LYS A 76 21.586 12.642 -1.533 1.00 32.32 H new ATOM 0 HA LYS A 76 20.512 10.030 -1.792 1.00 0.22 H new ATOM 0 HB2 LYS A 76 20.942 11.731 0.696 1.00 71.35 H new ATOM 0 HB3 LYS A 76 20.755 9.989 0.657 1.00 71.35 H new ATOM 0 HG2 LYS A 76 22.865 9.677 -0.423 1.00 41.30 H new ATOM 0 HG3 LYS A 76 22.995 11.374 -0.840 1.00 41.30 H new ATOM 0 HD2 LYS A 76 24.455 10.897 1.054 1.00 25.12 H new ATOM 0 HD3 LYS A 76 23.161 11.958 1.574 1.00 25.12 H new ATOM 0 HE2 LYS A 76 22.547 10.472 3.148 1.00 2.02 H new ATOM 0 HE3 LYS A 76 22.227 9.272 1.912 1.00 2.02 H new ATOM 0 HZ1 LYS A 76 23.853 8.479 3.504 1.00 74.25 H new ATOM 0 HZ2 LYS A 76 24.568 8.628 1.971 1.00 74.25 H new ATOM 0 HZ3 LYS A 76 24.877 9.791 3.169 1.00 74.25 H new ATOM 866 N ARG A 77 18.405 12.359 -1.207 1.00 15.42 N ATOM 867 CA ARG A 77 16.998 12.676 -0.991 1.00 32.41 C ATOM 868 C ARG A 77 16.153 12.237 -2.183 1.00 73.03 C ATOM 869 O ARG A 77 14.932 12.109 -2.078 1.00 45.52 O ATOM 870 CB ARG A 77 16.821 14.176 -0.752 1.00 3.25 C ATOM 871 CG ARG A 77 15.408 14.567 -0.350 1.00 63.14 C ATOM 872 CD ARG A 77 15.412 15.645 0.722 1.00 34.45 C ATOM 873 NE ARG A 77 15.704 15.099 2.045 1.00 2.23 N ATOM 874 CZ ARG A 77 15.723 15.830 3.154 1.00 15.51 C ATOM 875 NH1 ARG A 77 15.466 17.130 3.099 1.00 1.13 N ATOM 876 NH2 ARG A 77 15.997 15.262 4.321 1.00 62.40 N ATOM 0 H ARG A 77 18.963 13.137 -1.559 1.00 15.42 H new ATOM 0 HA ARG A 77 16.661 12.133 -0.108 1.00 32.41 H new ATOM 0 HB2 ARG A 77 17.513 14.495 0.028 1.00 3.25 H new ATOM 0 HB3 ARG A 77 17.093 14.714 -1.660 1.00 3.25 H new ATOM 0 HG2 ARG A 77 14.865 14.925 -1.225 1.00 63.14 H new ATOM 0 HG3 ARG A 77 14.877 13.689 0.017 1.00 63.14 H new ATOM 0 HD2 ARG A 77 16.154 16.403 0.471 1.00 34.45 H new ATOM 0 HD3 ARG A 77 14.442 16.142 0.741 1.00 34.45 H new ATOM 0 HE ARG A 77 15.904 14.102 2.121 1.00 2.23 H new ATOM 0 HH11 ARG A 77 15.253 17.570 2.204 1.00 1.13 H new ATOM 0 HH12 ARG A 77 15.481 17.689 3.952 1.00 1.13 H new ATOM 0 HH21 ARG A 77 16.194 14.262 4.368 1.00 62.40 H new ATOM 0 HH22 ARG A 77 16.011 15.825 5.171 1.00 62.40 H new ATOM 890 N ILE A 78 16.810 12.008 -3.315 1.00 52.43 N ATOM 891 CA ILE A 78 16.119 11.584 -4.527 1.00 30.14 C ATOM 892 C ILE A 78 16.219 10.074 -4.716 1.00 43.11 C ATOM 893 O ILE A 78 15.206 9.378 -4.789 1.00 71.21 O ATOM 894 CB ILE A 78 16.688 12.285 -5.774 1.00 55.52 C ATOM 895 CG1 ILE A 78 16.481 13.798 -5.674 1.00 0.20 C ATOM 896 CG2 ILE A 78 16.033 11.738 -7.034 1.00 0.41 C ATOM 897 CD1 ILE A 78 17.743 14.597 -5.913 1.00 11.51 C ATOM 0 H ILE A 78 17.820 12.109 -3.418 1.00 52.43 H new ATOM 0 HA ILE A 78 15.072 11.865 -4.409 1.00 30.14 H new ATOM 0 HB ILE A 78 17.758 12.086 -5.828 1.00 55.52 H new ATOM 0 HG12 ILE A 78 15.725 14.102 -6.398 1.00 0.20 H new ATOM 0 HG13 ILE A 78 16.090 14.039 -4.685 1.00 0.20 H new ATOM 0 HG21 ILE A 78 16.446 12.243 -7.907 1.00 0.41 H new ATOM 0 HG22 ILE A 78 16.226 10.668 -7.109 1.00 0.41 H new ATOM 0 HG23 ILE A 78 14.958 11.911 -6.989 1.00 0.41 H new ATOM 0 HD11 ILE A 78 17.522 15.661 -5.827 1.00 11.51 H new ATOM 0 HD12 ILE A 78 18.494 14.321 -5.173 1.00 11.51 H new ATOM 0 HD13 ILE A 78 18.124 14.386 -6.912 1.00 11.51 H new ATOM 909 N LEU A 79 17.447 9.574 -4.794 1.00 23.45 N ATOM 910 CA LEU A 79 17.681 8.145 -4.973 1.00 23.24 C ATOM 911 C LEU A 79 16.961 7.336 -3.898 1.00 5.31 C ATOM 912 O LEU A 79 16.500 6.223 -4.150 1.00 21.04 O ATOM 913 CB LEU A 79 19.181 7.845 -4.934 1.00 33.31 C ATOM 914 CG LEU A 79 19.973 8.221 -6.187 1.00 30.34 C ATOM 915 CD1 LEU A 79 21.401 8.597 -5.822 1.00 54.42 C ATOM 916 CD2 LEU A 79 19.961 7.076 -7.189 1.00 32.10 C ATOM 0 H LEU A 79 18.296 10.136 -4.736 1.00 23.45 H new ATOM 0 HA LEU A 79 17.284 7.856 -5.946 1.00 23.24 H new ATOM 0 HB2 LEU A 79 19.614 8.371 -4.083 1.00 33.31 H new ATOM 0 HB3 LEU A 79 19.313 6.779 -4.751 1.00 33.31 H new ATOM 0 HG LEU A 79 19.497 9.086 -6.649 1.00 30.34 H new ATOM 0 HD11 LEU A 79 21.950 8.862 -6.726 1.00 54.42 H new ATOM 0 HD12 LEU A 79 21.390 9.448 -5.141 1.00 54.42 H new ATOM 0 HD13 LEU A 79 21.887 7.751 -5.337 1.00 54.42 H new ATOM 0 HD21 LEU A 79 20.529 7.361 -8.074 1.00 32.10 H new ATOM 0 HD22 LEU A 79 20.412 6.192 -6.737 1.00 32.10 H new ATOM 0 HD23 LEU A 79 18.933 6.853 -7.474 1.00 32.10 H new ATOM 928 N ARG A 80 16.868 7.905 -2.700 1.00 75.14 N ATOM 929 CA ARG A 80 16.203 7.237 -1.588 1.00 12.53 C ATOM 930 C ARG A 80 14.722 7.025 -1.888 1.00 32.13 C ATOM 931 O ARG A 80 14.087 6.127 -1.332 1.00 3.43 O ATOM 932 CB ARG A 80 16.362 8.056 -0.305 1.00 50.34 C ATOM 933 CG ARG A 80 15.560 7.515 0.867 1.00 60.44 C ATOM 934 CD ARG A 80 16.285 7.733 2.186 1.00 75.13 C ATOM 935 NE ARG A 80 15.405 7.529 3.334 1.00 70.24 N ATOM 936 CZ ARG A 80 14.999 6.333 3.745 1.00 23.31 C ATOM 937 NH1 ARG A 80 15.392 5.240 3.106 1.00 64.40 N ATOM 938 NH2 ARG A 80 14.199 6.228 4.798 1.00 10.43 N ATOM 0 H ARG A 80 17.244 8.826 -2.475 1.00 75.14 H new ATOM 0 HA ARG A 80 16.671 6.262 -1.450 1.00 12.53 H new ATOM 0 HB2 ARG A 80 17.416 8.084 -0.030 1.00 50.34 H new ATOM 0 HB3 ARG A 80 16.056 9.084 -0.500 1.00 50.34 H new ATOM 0 HG2 ARG A 80 14.587 8.005 0.900 1.00 60.44 H new ATOM 0 HG3 ARG A 80 15.376 6.450 0.723 1.00 60.44 H new ATOM 0 HD2 ARG A 80 17.131 7.049 2.252 1.00 75.13 H new ATOM 0 HD3 ARG A 80 16.690 8.745 2.215 1.00 75.13 H new ATOM 0 HE ARG A 80 15.085 8.350 3.848 1.00 70.24 H new ATOM 0 HH11 ARG A 80 16.008 5.316 2.296 1.00 64.40 H new ATOM 0 HH12 ARG A 80 15.079 4.323 3.424 1.00 64.40 H new ATOM 0 HH21 ARG A 80 13.895 7.066 5.293 1.00 10.43 H new ATOM 0 HH22 ARG A 80 13.888 5.309 5.113 1.00 10.43 H new ATOM 952 N LEU A 81 14.177 7.856 -2.769 1.00 51.11 N ATOM 953 CA LEU A 81 12.770 7.760 -3.143 1.00 61.01 C ATOM 954 C LEU A 81 12.591 6.861 -4.363 1.00 1.44 C ATOM 955 O LEU A 81 11.610 6.124 -4.465 1.00 30.31 O ATOM 956 CB LEU A 81 12.203 9.151 -3.432 1.00 71.25 C ATOM 957 CG LEU A 81 10.689 9.230 -3.633 1.00 61.25 C ATOM 958 CD1 LEU A 81 10.003 9.679 -2.353 1.00 23.35 C ATOM 959 CD2 LEU A 81 10.352 10.172 -4.780 1.00 13.13 C ATOM 0 H LEU A 81 14.688 8.604 -3.238 1.00 51.11 H new ATOM 0 HA LEU A 81 12.226 7.319 -2.307 1.00 61.01 H new ATOM 0 HB2 LEU A 81 12.475 9.811 -2.608 1.00 71.25 H new ATOM 0 HB3 LEU A 81 12.689 9.541 -4.326 1.00 71.25 H new ATOM 0 HG LEU A 81 10.323 8.235 -3.887 1.00 61.25 H new ATOM 0 HD11 LEU A 81 8.926 9.729 -2.516 1.00 23.35 H new ATOM 0 HD12 LEU A 81 10.217 8.966 -1.556 1.00 23.35 H new ATOM 0 HD13 LEU A 81 10.373 10.664 -2.068 1.00 23.35 H new ATOM 0 HD21 LEU A 81 9.271 10.216 -4.909 1.00 13.13 H new ATOM 0 HD22 LEU A 81 10.732 11.169 -4.556 1.00 13.13 H new ATOM 0 HD23 LEU A 81 10.812 9.807 -5.698 1.00 13.13 H new ATOM 971 N LEU A 82 13.546 6.927 -5.284 1.00 75.32 N ATOM 972 CA LEU A 82 13.495 6.117 -6.497 1.00 10.13 C ATOM 973 C LEU A 82 13.464 4.630 -6.158 1.00 1.22 C ATOM 974 O LEU A 82 12.792 3.846 -6.827 1.00 65.21 O ATOM 975 CB LEU A 82 14.699 6.424 -7.389 1.00 22.42 C ATOM 976 CG LEU A 82 14.407 6.577 -8.882 1.00 32.22 C ATOM 977 CD1 LEU A 82 15.657 7.014 -9.629 1.00 25.24 C ATOM 978 CD2 LEU A 82 13.868 5.275 -9.456 1.00 61.31 C ATOM 0 H LEU A 82 14.364 7.532 -5.215 1.00 75.32 H new ATOM 0 HA LEU A 82 12.580 6.367 -7.034 1.00 10.13 H new ATOM 0 HB2 LEU A 82 15.164 7.344 -7.034 1.00 22.42 H new ATOM 0 HB3 LEU A 82 15.432 5.627 -7.262 1.00 22.42 H new ATOM 0 HG LEU A 82 13.647 7.348 -9.007 1.00 32.22 H new ATOM 0 HD11 LEU A 82 15.429 7.117 -10.690 1.00 25.24 H new ATOM 0 HD12 LEU A 82 16.000 7.971 -9.236 1.00 25.24 H new ATOM 0 HD13 LEU A 82 16.440 6.267 -9.497 1.00 25.24 H new ATOM 0 HD21 LEU A 82 13.666 5.402 -10.519 1.00 61.31 H new ATOM 0 HD22 LEU A 82 14.605 4.484 -9.319 1.00 61.31 H new ATOM 0 HD23 LEU A 82 12.946 5.005 -8.941 1.00 61.31 H new ATOM 990 N GLN A 83 14.194 4.251 -5.113 1.00 53.34 N ATOM 991 CA GLN A 83 14.248 2.859 -4.685 1.00 61.42 C ATOM 992 C GLN A 83 12.888 2.392 -4.177 1.00 21.04 C ATOM 993 O GLN A 83 12.359 1.375 -4.628 1.00 3.41 O ATOM 994 CB GLN A 83 15.303 2.680 -3.592 1.00 63.13 C ATOM 995 CG GLN A 83 16.444 1.758 -3.993 1.00 0.33 C ATOM 996 CD GLN A 83 17.232 1.252 -2.800 1.00 55.33 C ATOM 997 OE1 GLN A 83 17.571 2.016 -1.896 1.00 54.31 O ATOM 998 NE2 GLN A 83 17.527 -0.042 -2.792 1.00 62.30 N ATOM 0 H GLN A 83 14.755 4.888 -4.548 1.00 53.34 H new ATOM 0 HA GLN A 83 14.521 2.251 -5.547 1.00 61.42 H new ATOM 0 HB2 GLN A 83 15.711 3.656 -3.329 1.00 63.13 H new ATOM 0 HB3 GLN A 83 14.823 2.283 -2.697 1.00 63.13 H new ATOM 0 HG2 GLN A 83 16.043 0.908 -4.545 1.00 0.33 H new ATOM 0 HG3 GLN A 83 17.115 2.289 -4.668 1.00 0.33 H new ATOM 0 HE21 GLN A 83 17.226 -0.639 -3.563 1.00 62.30 H new ATOM 0 HE22 GLN A 83 18.055 -0.440 -2.015 1.00 62.30 H new ATOM 1007 N THR A 84 12.326 3.141 -3.233 1.00 54.12 N ATOM 1008 CA THR A 84 11.028 2.804 -2.662 1.00 20.31 C ATOM 1009 C THR A 84 10.898 1.301 -2.442 1.00 21.20 C ATOM 1010 O THR A 84 9.839 0.719 -2.673 1.00 10.12 O ATOM 1011 CB THR A 84 9.875 3.280 -3.565 1.00 42.34 C ATOM 1012 OG1 THR A 84 8.617 3.008 -2.939 1.00 12.24 O ATOM 1013 CG2 THR A 84 9.931 2.593 -4.922 1.00 1.54 C ATOM 0 H THR A 84 12.750 3.985 -2.848 1.00 54.12 H new ATOM 0 HA THR A 84 10.963 3.317 -1.702 1.00 20.31 H new ATOM 0 HB THR A 84 9.981 4.355 -3.714 1.00 42.34 H new ATOM 0 HG1 THR A 84 8.574 2.061 -2.690 1.00 12.24 H new ATOM 0 HG21 THR A 84 9.107 2.945 -5.542 1.00 1.54 H new ATOM 0 HG22 THR A 84 10.878 2.827 -5.409 1.00 1.54 H new ATOM 0 HG23 THR A 84 9.849 1.514 -4.787 1.00 1.54 H new ATOM 1021 N GLY A 85 11.983 0.677 -1.993 1.00 62.23 N ATOM 1022 CA GLY A 85 11.969 -0.754 -1.749 1.00 53.41 C ATOM 1023 C GLY A 85 13.034 -1.184 -0.761 1.00 4.11 C ATOM 1024 O GLY A 85 13.591 -2.277 -0.872 1.00 34.22 O ATOM 0 H GLY A 85 12.871 1.137 -1.794 1.00 62.23 H new ATOM 0 HA2 GLY A 85 10.989 -1.045 -1.372 1.00 53.41 H new ATOM 0 HA3 GLY A 85 12.118 -1.282 -2.691 1.00 53.41 H new ATOM 1028 N THR A 86 13.323 -0.322 0.209 1.00 14.23 N ATOM 1029 CA THR A 86 14.331 -0.617 1.219 1.00 12.15 C ATOM 1030 C THR A 86 13.689 -1.126 2.505 1.00 14.40 C ATOM 1031 O THR A 86 12.469 -1.262 2.588 1.00 75.45 O ATOM 1032 CB THR A 86 15.184 0.625 1.542 1.00 73.45 C ATOM 1033 OG1 THR A 86 14.400 1.585 2.258 1.00 53.45 O ATOM 1034 CG2 THR A 86 15.726 1.254 0.267 1.00 23.22 C ATOM 0 H THR A 86 12.872 0.587 0.316 1.00 14.23 H new ATOM 0 HA THR A 86 14.974 -1.393 0.805 1.00 12.15 H new ATOM 0 HB THR A 86 16.025 0.311 2.160 1.00 73.45 H new ATOM 0 HG1 THR A 86 14.950 2.370 2.461 1.00 53.45 H new ATOM 0 HG21 THR A 86 16.325 2.129 0.519 1.00 23.22 H new ATOM 0 HG22 THR A 86 16.346 0.530 -0.261 1.00 23.22 H new ATOM 0 HG23 THR A 86 14.896 1.555 -0.372 1.00 23.22 H new ATOM 1042 N GLU A 87 14.518 -1.403 3.506 1.00 62.30 N ATOM 1043 CA GLU A 87 14.029 -1.897 4.788 1.00 62.21 C ATOM 1044 C GLU A 87 14.351 -0.913 5.909 1.00 52.33 C ATOM 1045 O GLU A 87 13.633 -0.835 6.905 1.00 73.31 O ATOM 1046 CB GLU A 87 14.644 -3.263 5.102 1.00 41.34 C ATOM 1047 CG GLU A 87 16.140 -3.211 5.363 1.00 60.22 C ATOM 1048 CD GLU A 87 16.814 -4.555 5.163 1.00 13.03 C ATOM 1049 OE1 GLU A 87 16.124 -5.589 5.286 1.00 44.12 O ATOM 1050 OE2 GLU A 87 18.031 -4.572 4.884 1.00 30.03 O ATOM 0 H GLU A 87 15.531 -1.294 3.454 1.00 62.30 H new ATOM 0 HA GLU A 87 12.946 -2.001 4.719 1.00 62.21 H new ATOM 0 HB2 GLU A 87 14.146 -3.684 5.975 1.00 41.34 H new ATOM 0 HB3 GLU A 87 14.452 -3.939 4.268 1.00 41.34 H new ATOM 0 HG2 GLU A 87 16.596 -2.478 4.698 1.00 60.22 H new ATOM 0 HG3 GLU A 87 16.315 -2.869 6.383 1.00 60.22 H new ATOM 1057 N GLU A 88 15.435 -0.163 5.737 1.00 24.52 N ATOM 1058 CA GLU A 88 15.853 0.815 6.735 1.00 72.32 C ATOM 1059 C GLU A 88 16.089 0.147 8.086 1.00 21.43 C ATOM 1060 O GLU A 88 15.156 -0.056 8.862 1.00 23.52 O ATOM 1061 CB GLU A 88 14.799 1.915 6.875 1.00 73.02 C ATOM 1062 CG GLU A 88 15.316 3.170 7.557 1.00 41.44 C ATOM 1063 CD GLU A 88 16.280 3.952 6.686 1.00 43.13 C ATOM 1064 OE1 GLU A 88 16.233 3.785 5.449 1.00 23.52 O ATOM 1065 OE2 GLU A 88 17.082 4.732 7.241 1.00 0.15 O ATOM 0 H GLU A 88 16.039 -0.214 4.917 1.00 24.52 H new ATOM 0 HA GLU A 88 16.790 1.260 6.401 1.00 72.32 H new ATOM 0 HB2 GLU A 88 14.426 2.177 5.885 1.00 73.02 H new ATOM 0 HB3 GLU A 88 13.953 1.526 7.442 1.00 73.02 H new ATOM 0 HG2 GLU A 88 14.473 3.808 7.823 1.00 41.44 H new ATOM 0 HG3 GLU A 88 15.814 2.895 8.487 1.00 41.44 H new ATOM 1072 N GLY A 89 17.345 -0.194 8.360 1.00 0.53 N ATOM 1073 CA GLY A 89 17.682 -0.836 9.617 1.00 2.43 C ATOM 1074 C GLY A 89 18.867 -1.773 9.490 1.00 11.32 C ATOM 1075 O GLY A 89 18.774 -2.819 8.848 1.00 15.22 O ATOM 0 H GLY A 89 18.135 -0.037 7.734 1.00 0.53 H new ATOM 0 HA2 GLY A 89 17.904 -0.073 10.363 1.00 2.43 H new ATOM 0 HA3 GLY A 89 16.819 -1.394 9.979 1.00 2.43 H new ATOM 1079 N SER A 90 19.985 -1.396 10.102 1.00 24.50 N ATOM 1080 CA SER A 90 21.196 -2.208 10.050 1.00 75.43 C ATOM 1081 C SER A 90 22.146 -1.840 11.185 1.00 62.22 C ATOM 1082 O SER A 90 22.629 -2.709 11.912 1.00 1.25 O ATOM 1083 CB SER A 90 21.898 -2.029 8.703 1.00 52.45 C ATOM 1084 OG SER A 90 20.975 -2.116 7.631 1.00 50.13 O ATOM 0 H SER A 90 20.078 -0.534 10.639 1.00 24.50 H new ATOM 0 HA SER A 90 20.908 -3.253 10.165 1.00 75.43 H new ATOM 0 HB2 SER A 90 22.400 -1.062 8.677 1.00 52.45 H new ATOM 0 HB3 SER A 90 22.668 -2.791 8.587 1.00 52.45 H new ATOM 0 HG SER A 90 20.236 -2.708 7.883 1.00 50.13 H new ATOM 1090 N LEU A 91 22.411 -0.547 11.330 1.00 12.50 N ATOM 1091 CA LEU A 91 23.304 -0.061 12.376 1.00 12.04 C ATOM 1092 C LEU A 91 22.622 1.012 13.219 1.00 4.32 C ATOM 1093 O LEU A 91 21.772 1.754 12.728 1.00 51.52 O ATOM 1094 CB LEU A 91 24.588 0.497 11.760 1.00 53.30 C ATOM 1095 CG LEU A 91 25.779 -0.460 11.708 1.00 73.21 C ATOM 1096 CD1 LEU A 91 26.239 -0.816 13.113 1.00 62.32 C ATOM 1097 CD2 LEU A 91 25.419 -1.717 10.928 1.00 43.51 C ATOM 0 H LEU A 91 22.020 0.184 10.736 1.00 12.50 H new ATOM 0 HA LEU A 91 23.555 -0.901 13.024 1.00 12.04 H new ATOM 0 HB2 LEU A 91 24.367 0.825 10.744 1.00 53.30 H new ATOM 0 HB3 LEU A 91 24.883 1.382 12.324 1.00 53.30 H new ATOM 0 HG LEU A 91 26.600 0.040 11.195 1.00 73.21 H new ATOM 0 HD11 LEU A 91 27.087 -1.498 13.056 1.00 62.32 H new ATOM 0 HD12 LEU A 91 26.537 0.091 13.639 1.00 62.32 H new ATOM 0 HD13 LEU A 91 25.423 -1.297 13.652 1.00 62.32 H new ATOM 0 HD21 LEU A 91 26.278 -2.387 10.901 1.00 43.51 H new ATOM 0 HD22 LEU A 91 24.582 -2.219 11.413 1.00 43.51 H new ATOM 0 HD23 LEU A 91 25.138 -1.446 9.910 1.00 43.51 H new ATOM 1109 N ASP A 92 23.003 1.090 14.490 1.00 61.35 N ATOM 1110 CA ASP A 92 22.431 2.075 15.400 1.00 23.44 C ATOM 1111 C ASP A 92 23.408 3.221 15.644 1.00 71.11 C ATOM 1112 O ASP A 92 24.612 3.101 15.419 1.00 44.21 O ATOM 1113 CB ASP A 92 22.058 1.416 16.729 1.00 34.51 C ATOM 1114 CG ASP A 92 20.564 1.191 16.864 1.00 4.54 C ATOM 1115 OD1 ASP A 92 19.952 0.680 15.904 1.00 41.32 O ATOM 1116 OD2 ASP A 92 20.008 1.528 17.931 1.00 52.13 O ATOM 0 H ASP A 92 23.705 0.483 14.913 1.00 61.35 H new ATOM 0 HA ASP A 92 21.531 2.480 14.938 1.00 23.44 H new ATOM 0 HB2 ASP A 92 22.576 0.461 16.816 1.00 34.51 H new ATOM 0 HB3 ASP A 92 22.404 2.042 17.552 1.00 34.51 H new ATOM 1121 N PRO A 93 22.878 4.360 16.114 1.00 44.21 N ATOM 1122 CA PRO A 93 23.686 5.550 16.398 1.00 54.44 C ATOM 1123 C PRO A 93 24.595 5.359 17.607 1.00 40.44 C ATOM 1124 O PRO A 93 25.764 5.744 17.584 1.00 65.20 O ATOM 1125 CB PRO A 93 22.638 6.630 16.682 1.00 62.05 C ATOM 1126 CG PRO A 93 21.439 5.880 17.149 1.00 12.43 C ATOM 1127 CD PRO A 93 21.451 4.574 16.405 1.00 32.21 C ATOM 0 HA PRO A 93 24.357 5.793 15.574 1.00 54.44 H new ATOM 0 HB2 PRO A 93 22.987 7.331 17.441 1.00 62.05 H new ATOM 0 HB3 PRO A 93 22.417 7.212 15.788 1.00 62.05 H new ATOM 0 HG2 PRO A 93 21.477 5.716 18.226 1.00 12.43 H new ATOM 0 HG3 PRO A 93 20.525 6.438 16.943 1.00 12.43 H new ATOM 0 HD2 PRO A 93 21.038 3.765 17.007 1.00 32.21 H new ATOM 0 HD3 PRO A 93 20.858 4.626 15.492 1.00 32.21 H new ATOM 1135 N LYS A 94 24.051 4.763 18.662 1.00 60.11 N ATOM 1136 CA LYS A 94 24.813 4.519 19.881 1.00 62.33 C ATOM 1137 C LYS A 94 25.390 5.819 20.432 1.00 71.05 C ATOM 1138 O LYS A 94 26.504 6.211 20.085 1.00 61.12 O ATOM 1139 CB LYS A 94 25.942 3.522 19.609 1.00 5.14 C ATOM 1140 CG LYS A 94 26.324 2.690 20.822 1.00 53.23 C ATOM 1141 CD LYS A 94 25.865 1.249 20.676 1.00 72.03 C ATOM 1142 CE LYS A 94 25.217 0.738 21.954 1.00 43.14 C ATOM 1143 NZ LYS A 94 26.199 0.050 22.836 1.00 24.42 N ATOM 0 H LYS A 94 23.084 4.440 18.698 1.00 60.11 H new ATOM 0 HA LYS A 94 24.136 4.099 20.625 1.00 62.33 H new ATOM 0 HB2 LYS A 94 25.640 2.855 18.802 1.00 5.14 H new ATOM 0 HB3 LYS A 94 26.820 4.066 19.261 1.00 5.14 H new ATOM 0 HG2 LYS A 94 27.405 2.717 20.957 1.00 53.23 H new ATOM 0 HG3 LYS A 94 25.880 3.125 21.717 1.00 53.23 H new ATOM 0 HD2 LYS A 94 25.156 1.174 19.852 1.00 72.03 H new ATOM 0 HD3 LYS A 94 26.717 0.619 20.422 1.00 72.03 H new ATOM 0 HE2 LYS A 94 24.768 1.573 22.492 1.00 43.14 H new ATOM 0 HE3 LYS A 94 24.410 0.050 21.702 1.00 43.14 H new ATOM 0 HZ1 LYS A 94 26.013 0.304 23.827 1.00 24.42 H new ATOM 0 HZ2 LYS A 94 26.108 -0.980 22.720 1.00 24.42 H new ATOM 0 HZ3 LYS A 94 27.163 0.344 22.578 1.00 24.42 H new ATOM 1157 N SER A 95 24.625 6.483 21.292 1.00 33.32 N ATOM 1158 CA SER A 95 25.059 7.740 21.889 1.00 1.13 C ATOM 1159 C SER A 95 26.140 7.498 22.939 1.00 53.41 C ATOM 1160 O SER A 95 27.202 8.119 22.906 1.00 4.10 O ATOM 1161 CB SER A 95 23.871 8.466 22.522 1.00 35.04 C ATOM 1162 OG SER A 95 22.864 7.549 22.917 1.00 5.30 O ATOM 0 H SER A 95 23.701 6.171 21.591 1.00 33.32 H new ATOM 0 HA SER A 95 25.477 8.364 21.099 1.00 1.13 H new ATOM 0 HB2 SER A 95 24.208 9.036 23.388 1.00 35.04 H new ATOM 0 HB3 SER A 95 23.457 9.181 21.811 1.00 35.04 H new ATOM 0 HG SER A 95 22.116 8.038 23.320 1.00 5.30 H new ATOM 1168 N ASP A 96 25.860 6.592 23.869 1.00 13.30 N ATOM 1169 CA ASP A 96 26.807 6.266 24.929 1.00 40.52 C ATOM 1170 C ASP A 96 26.970 4.756 25.067 1.00 75.12 C ATOM 1171 O ASP A 96 26.001 4.005 24.955 1.00 32.34 O ATOM 1172 CB ASP A 96 26.344 6.866 26.258 1.00 63.33 C ATOM 1173 CG ASP A 96 27.130 8.105 26.638 1.00 14.44 C ATOM 1174 OD1 ASP A 96 28.345 7.982 26.899 1.00 70.34 O ATOM 1175 OD2 ASP A 96 26.529 9.199 26.675 1.00 0.53 O ATOM 0 H ASP A 96 24.985 6.070 23.911 1.00 13.30 H new ATOM 0 HA ASP A 96 27.774 6.694 24.663 1.00 40.52 H new ATOM 0 HB2 ASP A 96 25.285 7.117 26.191 1.00 63.33 H new ATOM 0 HB3 ASP A 96 26.445 6.119 27.045 1.00 63.33 H new ATOM 1180 N SER A 97 28.201 4.318 25.309 1.00 11.00 N ATOM 1181 CA SER A 97 28.491 2.897 25.457 1.00 24.33 C ATOM 1182 C SER A 97 29.931 2.681 25.913 1.00 3.34 C ATOM 1183 O SER A 97 30.753 2.137 25.176 1.00 53.52 O ATOM 1184 CB SER A 97 28.248 2.164 24.136 1.00 12.25 C ATOM 1185 OG SER A 97 28.840 2.858 23.052 1.00 54.12 O ATOM 0 H SER A 97 29.014 4.927 25.407 1.00 11.00 H new ATOM 0 HA SER A 97 27.822 2.493 26.217 1.00 24.33 H new ATOM 0 HB2 SER A 97 28.659 1.156 24.195 1.00 12.25 H new ATOM 0 HB3 SER A 97 27.176 2.062 23.965 1.00 12.25 H new ATOM 0 HG SER A 97 29.792 2.999 23.235 1.00 54.12 H new ATOM 1191 N ALA A 98 30.229 3.112 27.135 1.00 42.22 N ATOM 1192 CA ALA A 98 31.568 2.965 27.691 1.00 4.31 C ATOM 1193 C ALA A 98 31.584 3.296 29.180 1.00 72.13 C ATOM 1194 O ALA A 98 30.918 4.230 29.624 1.00 14.23 O ATOM 1195 CB ALA A 98 32.552 3.852 26.941 1.00 14.04 C ATOM 0 H ALA A 98 29.561 3.566 27.758 1.00 42.22 H new ATOM 0 HA ALA A 98 31.871 1.925 27.573 1.00 4.31 H new ATOM 0 HB1 ALA A 98 33.548 3.732 27.367 1.00 14.04 H new ATOM 0 HB2 ALA A 98 32.571 3.567 25.889 1.00 14.04 H new ATOM 0 HB3 ALA A 98 32.243 4.894 27.029 1.00 14.04 H new ATOM 1201 N MET A 99 32.348 2.523 29.945 1.00 54.01 N ATOM 1202 CA MET A 99 32.449 2.735 31.384 1.00 3.11 C ATOM 1203 C MET A 99 33.672 3.581 31.724 1.00 41.41 C ATOM 1204 O MET A 99 34.805 3.188 31.450 1.00 62.20 O ATOM 1205 CB MET A 99 32.524 1.393 32.115 1.00 43.11 C ATOM 1206 CG MET A 99 31.865 1.409 33.484 1.00 12.24 C ATOM 1207 SD MET A 99 31.277 -0.218 33.991 1.00 33.22 S ATOM 1208 CE MET A 99 32.829 -1.061 34.291 1.00 13.30 C ATOM 0 H MET A 99 32.906 1.745 29.593 1.00 54.01 H new ATOM 0 HA MET A 99 31.557 3.269 31.711 1.00 3.11 H new ATOM 0 HB2 MET A 99 32.049 0.627 31.501 1.00 43.11 H new ATOM 0 HB3 MET A 99 33.570 1.108 32.228 1.00 43.11 H new ATOM 0 HG2 MET A 99 32.577 1.780 34.221 1.00 12.24 H new ATOM 0 HG3 MET A 99 31.027 2.106 33.471 1.00 12.24 H new ATOM 0 HE1 MET A 99 32.631 -2.083 34.613 1.00 13.30 H new ATOM 0 HE2 MET A 99 33.418 -1.077 33.374 1.00 13.30 H new ATOM 0 HE3 MET A 99 33.384 -0.536 35.069 1.00 13.30 H new ATOM 1218 N GLU A 100 33.434 4.745 32.321 1.00 33.13 N ATOM 1219 CA GLU A 100 34.517 5.646 32.697 1.00 51.14 C ATOM 1220 C GLU A 100 34.415 6.035 34.169 1.00 44.34 C ATOM 1221 O GLU A 100 35.152 5.520 35.009 1.00 73.31 O ATOM 1222 CB GLU A 100 34.491 6.902 31.823 1.00 61.12 C ATOM 1223 CG GLU A 100 35.830 7.223 31.180 1.00 54.45 C ATOM 1224 CD GLU A 100 35.693 8.123 29.966 1.00 31.24 C ATOM 1225 OE1 GLU A 100 34.911 7.777 29.056 1.00 0.41 O ATOM 1226 OE2 GLU A 100 36.368 9.173 29.928 1.00 62.31 O ATOM 0 H GLU A 100 32.501 5.086 32.554 1.00 33.13 H new ATOM 0 HA GLU A 100 35.461 5.123 32.542 1.00 51.14 H new ATOM 0 HB2 GLU A 100 33.743 6.775 31.041 1.00 61.12 H new ATOM 0 HB3 GLU A 100 34.176 7.751 32.430 1.00 61.12 H new ATOM 0 HG2 GLU A 100 36.475 7.705 31.914 1.00 54.45 H new ATOM 0 HG3 GLU A 100 36.320 6.295 30.886 1.00 54.45 H new TER 1233 GLU A 100