USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1063 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 107 SER OG : rot 70:sc= -0.497 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.804 K(o=-1.3,f=-3.5!) USER MOD Set 2.1: A 20 GLN : amide:sc=-0.00247 X(o=-0.0044,f=-0.14) USER MOD Set 2.2: A 78 GLN : amide:sc=-0.00194 X(o=-0.0044,f=-0.0055) USER MOD Set 3.1: A 39 THR OG1 : rot 140:sc= -1.12 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -2.26! K(o=-2.3!,f=-1.4) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.7) USER MOD Single : A 16 SER OG : rot 54:sc= 0.983 USER MOD Single : A 18 THR OG1 : rot 1:sc= -0.733 USER MOD Single : A 21 LYS NZ :NH3+ -122:sc= -2.73! (180deg=-5.41!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 25 THR OG1 : rot -32:sc= 0.452 USER MOD Single : A 28 THR OG1 : rot 94:sc= -0.672! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0525 X(o=-0.053,f=-0.41) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -127:sc= -0.161 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -59:sc= 0.783 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 61 LYS NZ :NH3+ 144:sc= -0.251 (180deg=-1.44!) USER MOD Single : A 63 THR OG1 : rot 35:sc= 0.259 USER MOD Single : A 69 THR OG1 : rot -170:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.28) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 76 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-5!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= -0.0705 (180deg=-0.631) USER MOD Single : A 89 ASN : amide:sc= -4.78! C(o=-4.8!,f=-4.5!) USER MOD Single : A 97 ASN : amide:sc= -11.5! C(o=-11!,f=-11!) USER MOD Single : A 98 SER OG : rot -57:sc= 0.888 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 117 LYS NZ :NH3+ -162:sc= 0.303 (180deg=0.172) USER MOD Single : A 118 THR OG1 : rot 95:sc= 0.858 USER MOD Single : A 120 MET CE :methyl -161:sc= -4.76! (180deg=-5.79!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -74:sc= -0.374 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= -0.5 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 21.833 1.970 -33.153 1.00 0.00 N ATOM 2 CA HIS A 1 22.058 1.179 -31.912 1.00 0.00 C ATOM 3 C HIS A 1 21.852 2.077 -30.690 1.00 0.00 C ATOM 4 O HIS A 1 22.727 2.224 -29.860 1.00 0.00 O ATOM 5 CB HIS A 1 23.485 0.630 -31.909 1.00 0.00 C ATOM 6 CG HIS A 1 23.529 -0.651 -31.121 1.00 0.00 C ATOM 7 ND1 HIS A 1 22.538 -1.614 -31.223 1.00 0.00 N ATOM 8 CD2 HIS A 1 24.438 -1.142 -30.219 1.00 0.00 C ATOM 9 CE1 HIS A 1 22.870 -2.627 -30.402 1.00 0.00 C ATOM 10 NE2 HIS A 1 24.020 -2.390 -29.766 1.00 0.00 N ATOM 0 H1 HIS A 1 21.973 1.360 -33.984 1.00 0.00 H new ATOM 0 H2 HIS A 1 20.862 2.342 -33.156 1.00 0.00 H new ATOM 0 H3 HIS A 1 22.507 2.761 -33.187 1.00 0.00 H new ATOM 0 HA HIS A 1 21.351 0.350 -31.876 1.00 0.00 H new ATOM 0 HB2 HIS A 1 23.820 0.452 -32.931 1.00 0.00 H new ATOM 0 HB3 HIS A 1 24.166 1.361 -31.473 1.00 0.00 H new ATOM 0 HD2 HIS A 1 25.341 -0.637 -29.908 1.00 0.00 H new ATOM 0 HE1 HIS A 1 22.279 -3.522 -30.273 1.00 0.00 H new ATOM 0 HE2 HIS A 1 24.491 -2.994 -29.093 1.00 0.00 H new ATOM 20 N LYS A 2 20.701 2.683 -30.577 1.00 0.00 N ATOM 21 CA LYS A 2 20.438 3.575 -29.412 1.00 0.00 C ATOM 22 C LYS A 2 19.070 3.246 -28.816 1.00 0.00 C ATOM 23 O LYS A 2 18.307 2.478 -29.369 1.00 0.00 O ATOM 24 CB LYS A 2 20.452 5.033 -29.876 1.00 0.00 C ATOM 25 CG LYS A 2 21.225 5.882 -28.864 1.00 0.00 C ATOM 26 CD LYS A 2 22.018 6.961 -29.604 1.00 0.00 C ATOM 27 CE LYS A 2 23.495 6.565 -29.656 1.00 0.00 C ATOM 28 NZ LYS A 2 24.320 7.762 -29.982 1.00 0.00 N ATOM 0 H LYS A 2 19.932 2.599 -31.241 1.00 0.00 H new ATOM 0 HA LYS A 2 21.209 3.424 -28.657 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.915 5.109 -30.860 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.432 5.404 -29.975 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.535 6.343 -28.157 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.900 5.252 -28.285 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.628 7.085 -30.614 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.906 7.920 -29.099 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.804 6.147 -28.698 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.648 5.789 -30.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.324 7.493 -30.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.031 8.142 -30.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 24.182 8.488 -29.251 1.00 0.00 H new ATOM 42 N CYS A 3 18.753 3.828 -27.695 1.00 0.00 N ATOM 43 CA CYS A 3 17.432 3.560 -27.062 1.00 0.00 C ATOM 44 C CYS A 3 16.465 4.689 -27.423 1.00 0.00 C ATOM 45 O CYS A 3 16.871 5.758 -27.827 1.00 0.00 O ATOM 46 CB CYS A 3 17.582 3.480 -25.547 1.00 0.00 C ATOM 47 SG CYS A 3 17.136 1.821 -24.981 1.00 0.00 S ATOM 0 H CYS A 3 19.352 4.479 -27.188 1.00 0.00 H new ATOM 0 HA CYS A 3 17.044 2.609 -27.427 1.00 0.00 H new ATOM 0 HB2 CYS A 3 18.608 3.710 -25.260 1.00 0.00 H new ATOM 0 HB3 CYS A 3 16.944 4.223 -25.068 1.00 0.00 H new ATOM 52 N ASP A 4 15.186 4.452 -27.296 1.00 0.00 N ATOM 53 CA ASP A 4 14.194 5.506 -27.649 1.00 0.00 C ATOM 54 C ASP A 4 14.665 6.873 -27.170 1.00 0.00 C ATOM 55 O ASP A 4 15.520 6.997 -26.316 1.00 0.00 O ATOM 56 CB ASP A 4 12.838 5.203 -27.013 1.00 0.00 C ATOM 57 CG ASP A 4 13.000 4.247 -25.828 1.00 0.00 C ATOM 58 OD1 ASP A 4 14.020 4.326 -25.163 1.00 0.00 O ATOM 59 OD2 ASP A 4 12.101 3.452 -25.606 1.00 0.00 O ATOM 0 H ASP A 4 14.787 3.574 -26.963 1.00 0.00 H new ATOM 0 HA ASP A 4 14.096 5.515 -28.735 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.372 6.130 -26.678 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.173 4.762 -27.755 1.00 0.00 H new ATOM 64 N ILE A 5 14.096 7.899 -27.729 1.00 0.00 N ATOM 65 CA ILE A 5 14.477 9.288 -27.339 1.00 0.00 C ATOM 66 C ILE A 5 13.958 9.601 -25.931 1.00 0.00 C ATOM 67 O ILE A 5 14.529 10.393 -25.214 1.00 0.00 O ATOM 68 CB ILE A 5 13.873 10.279 -28.338 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.637 10.197 -29.662 1.00 0.00 C ATOM 70 CG2 ILE A 5 13.977 11.700 -27.780 1.00 0.00 C ATOM 71 CD1 ILE A 5 16.104 10.563 -29.426 1.00 0.00 C ATOM 0 H ILE A 5 13.375 7.838 -28.448 1.00 0.00 H new ATOM 0 HA ILE A 5 15.563 9.375 -27.344 1.00 0.00 H new ATOM 0 HB ILE A 5 12.825 10.031 -28.504 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.564 9.191 -30.075 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.195 10.875 -30.392 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.546 12.403 -28.493 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.434 11.761 -26.837 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.025 11.949 -27.612 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.650 10.505 -30.368 1.00 0.00 H new ATOM 0 HD12 ILE A 5 16.167 11.577 -29.032 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.542 9.868 -28.710 1.00 0.00 H new ATOM 83 N THR A 6 12.866 9.005 -25.539 1.00 0.00 N ATOM 84 CA THR A 6 12.304 9.294 -24.187 1.00 0.00 C ATOM 85 C THR A 6 13.377 9.104 -23.111 1.00 0.00 C ATOM 86 O THR A 6 13.568 9.946 -22.257 1.00 0.00 O ATOM 87 CB THR A 6 11.105 8.365 -23.918 1.00 0.00 C ATOM 88 OG1 THR A 6 10.206 9.011 -23.026 1.00 0.00 O ATOM 89 CG2 THR A 6 11.568 7.040 -23.298 1.00 0.00 C ATOM 0 H THR A 6 12.338 8.331 -26.094 1.00 0.00 H new ATOM 0 HA THR A 6 11.968 10.330 -24.155 1.00 0.00 H new ATOM 0 HB THR A 6 10.610 8.151 -24.865 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.440 8.425 -22.852 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.704 6.401 -23.117 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.253 6.538 -23.981 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.076 7.238 -22.354 1.00 0.00 H new ATOM 97 N LEU A 7 14.057 7.993 -23.117 1.00 0.00 N ATOM 98 CA LEU A 7 15.082 7.751 -22.071 1.00 0.00 C ATOM 99 C LEU A 7 16.170 8.844 -22.064 1.00 0.00 C ATOM 100 O LEU A 7 16.471 9.384 -21.022 1.00 0.00 O ATOM 101 CB LEU A 7 15.708 6.360 -22.225 1.00 0.00 C ATOM 102 CG LEU A 7 15.645 5.697 -20.874 1.00 0.00 C ATOM 103 CD1 LEU A 7 16.139 4.252 -20.976 1.00 0.00 C ATOM 104 CD2 LEU A 7 16.516 6.480 -19.893 1.00 0.00 C ATOM 0 H LEU A 7 13.946 7.244 -23.801 1.00 0.00 H new ATOM 0 HA LEU A 7 14.573 7.794 -21.108 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.167 5.774 -22.968 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.739 6.437 -22.569 1.00 0.00 H new ATOM 0 HG LEU A 7 14.614 5.688 -20.520 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.090 3.781 -19.994 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.510 3.701 -21.675 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.169 4.244 -21.331 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.476 6.006 -18.912 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.546 6.490 -20.249 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.148 7.503 -19.817 1.00 0.00 H new ATOM 116 N GLN A 8 16.770 9.190 -23.177 1.00 0.00 N ATOM 117 CA GLN A 8 17.819 10.253 -23.129 1.00 0.00 C ATOM 118 C GLN A 8 17.275 11.456 -22.371 1.00 0.00 C ATOM 119 O GLN A 8 18.003 12.195 -21.737 1.00 0.00 O ATOM 120 CB GLN A 8 18.222 10.658 -24.550 1.00 0.00 C ATOM 121 CG GLN A 8 17.124 11.523 -25.173 1.00 0.00 C ATOM 122 CD GLN A 8 17.567 12.987 -25.177 1.00 0.00 C ATOM 123 OE1 GLN A 8 18.726 13.284 -24.976 1.00 0.00 O ATOM 124 NE2 GLN A 8 16.682 13.922 -25.399 1.00 0.00 N ATOM 0 H GLN A 8 16.584 8.792 -24.097 1.00 0.00 H new ATOM 0 HA GLN A 8 18.702 9.872 -22.616 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.163 11.208 -24.528 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.387 9.769 -25.159 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.919 11.191 -26.191 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.197 11.414 -24.610 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.708 13.672 -25.568 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.965 14.902 -25.403 1.00 0.00 H new ATOM 133 N GLU A 9 16.000 11.646 -22.431 1.00 0.00 N ATOM 134 CA GLU A 9 15.372 12.790 -21.715 1.00 0.00 C ATOM 135 C GLU A 9 15.422 12.540 -20.205 1.00 0.00 C ATOM 136 O GLU A 9 15.762 13.416 -19.434 1.00 0.00 O ATOM 137 CB GLU A 9 13.917 12.944 -22.164 1.00 0.00 C ATOM 138 CG GLU A 9 13.831 14.018 -23.250 1.00 0.00 C ATOM 139 CD GLU A 9 12.430 14.010 -23.864 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.490 13.726 -23.142 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.322 14.289 -25.047 1.00 0.00 O ATOM 0 H GLU A 9 15.351 11.055 -22.950 1.00 0.00 H new ATOM 0 HA GLU A 9 15.918 13.704 -21.948 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.540 11.995 -22.545 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.290 13.218 -21.315 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.048 14.998 -22.825 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.579 13.832 -24.021 1.00 0.00 H new ATOM 148 N ILE A 10 15.079 11.354 -19.772 1.00 0.00 N ATOM 149 CA ILE A 10 15.106 11.061 -18.311 1.00 0.00 C ATOM 150 C ILE A 10 16.546 11.096 -17.801 1.00 0.00 C ATOM 151 O ILE A 10 16.788 11.410 -16.660 1.00 0.00 O ATOM 152 CB ILE A 10 14.491 9.677 -18.055 1.00 0.00 C ATOM 153 CG1 ILE A 10 12.964 9.767 -18.131 1.00 0.00 C ATOM 154 CG2 ILE A 10 14.893 9.180 -16.661 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.551 10.596 -19.350 1.00 0.00 C ATOM 0 H ILE A 10 14.783 10.580 -20.366 1.00 0.00 H new ATOM 0 HA ILE A 10 14.526 11.816 -17.780 1.00 0.00 H new ATOM 0 HB ILE A 10 14.856 8.983 -18.812 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.535 8.767 -18.198 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.572 10.222 -17.221 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.454 8.198 -16.484 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.979 9.109 -16.599 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.532 9.880 -15.907 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.464 10.656 -19.398 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.966 11.600 -19.265 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.929 10.123 -20.257 1.00 0.00 H new ATOM 167 N ILE A 11 17.504 10.778 -18.621 1.00 0.00 N ATOM 168 CA ILE A 11 18.912 10.816 -18.144 1.00 0.00 C ATOM 169 C ILE A 11 19.321 12.271 -17.940 1.00 0.00 C ATOM 170 O ILE A 11 20.148 12.585 -17.109 1.00 0.00 O ATOM 171 CB ILE A 11 19.840 10.152 -19.167 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.293 8.766 -19.533 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.240 10.014 -18.562 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.395 7.923 -20.195 1.00 0.00 C ATOM 0 H ILE A 11 17.376 10.496 -19.593 1.00 0.00 H new ATOM 0 HA ILE A 11 18.992 10.271 -17.203 1.00 0.00 H new ATOM 0 HB ILE A 11 19.892 10.764 -20.067 1.00 0.00 H new ATOM 0 HG12 ILE A 11 18.927 8.263 -18.638 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.445 8.868 -20.211 1.00 0.00 H new ATOM 0 HG21 ILE A 11 21.904 9.542 -19.286 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.625 11.001 -18.306 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.189 9.400 -17.663 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.997 6.941 -20.451 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.741 8.422 -21.100 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.230 7.807 -19.503 1.00 0.00 H new ATOM 186 N LYS A 12 18.745 13.164 -18.695 1.00 0.00 N ATOM 187 CA LYS A 12 19.095 14.602 -18.542 1.00 0.00 C ATOM 188 C LYS A 12 18.577 15.113 -17.193 1.00 0.00 C ATOM 189 O LYS A 12 19.292 15.754 -16.449 1.00 0.00 O ATOM 190 CB LYS A 12 18.450 15.406 -19.673 1.00 0.00 C ATOM 191 CG LYS A 12 19.260 16.682 -19.918 1.00 0.00 C ATOM 192 CD LYS A 12 18.312 17.878 -20.017 1.00 0.00 C ATOM 193 CE LYS A 12 19.127 19.172 -20.068 1.00 0.00 C ATOM 194 NZ LYS A 12 18.279 20.271 -20.610 1.00 0.00 N ATOM 0 H LYS A 12 18.048 12.960 -19.411 1.00 0.00 H new ATOM 0 HA LYS A 12 20.178 14.719 -18.584 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.411 14.807 -20.583 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.422 15.659 -19.413 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.972 16.835 -19.107 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.839 16.587 -20.836 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.692 17.791 -20.909 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.638 17.894 -19.160 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.482 19.430 -19.070 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.008 19.035 -20.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.832 21.151 -20.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.961 20.023 -21.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.451 20.406 -19.995 1.00 0.00 H new ATOM 208 N THR A 13 17.338 14.841 -16.869 1.00 0.00 N ATOM 209 CA THR A 13 16.785 15.319 -15.569 1.00 0.00 C ATOM 210 C THR A 13 17.421 14.542 -14.415 1.00 0.00 C ATOM 211 O THR A 13 17.774 15.097 -13.393 1.00 0.00 O ATOM 212 CB THR A 13 15.266 15.108 -15.565 1.00 0.00 C ATOM 213 OG1 THR A 13 14.647 16.129 -16.337 1.00 0.00 O ATOM 214 CG2 THR A 13 14.733 15.161 -14.131 1.00 0.00 C ATOM 0 H THR A 13 16.688 14.310 -17.448 1.00 0.00 H new ATOM 0 HA THR A 13 17.009 16.378 -15.443 1.00 0.00 H new ATOM 0 HB THR A 13 15.039 14.132 -15.994 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.676 15.996 -16.338 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.654 15.010 -14.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.205 14.377 -13.538 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.961 16.133 -13.694 1.00 0.00 H new ATOM 222 N LEU A 14 17.566 13.261 -14.575 1.00 0.00 N ATOM 223 CA LEU A 14 18.173 12.427 -13.507 1.00 0.00 C ATOM 224 C LEU A 14 19.641 12.816 -13.346 1.00 0.00 C ATOM 225 O LEU A 14 20.217 12.701 -12.283 1.00 0.00 O ATOM 226 CB LEU A 14 18.052 10.958 -13.916 1.00 0.00 C ATOM 227 CG LEU A 14 18.706 10.062 -12.867 1.00 0.00 C ATOM 228 CD1 LEU A 14 17.981 10.228 -11.531 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.603 8.607 -13.326 1.00 0.00 C ATOM 0 H LEU A 14 17.286 12.749 -15.412 1.00 0.00 H new ATOM 0 HA LEU A 14 17.662 12.582 -12.557 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.002 10.690 -14.029 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.527 10.802 -14.885 1.00 0.00 H new ATOM 0 HG LEU A 14 19.753 10.338 -12.744 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.448 9.588 -10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.043 11.268 -11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.934 9.946 -11.647 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.067 7.958 -12.584 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.554 8.335 -13.441 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.115 8.490 -14.281 1.00 0.00 H new ATOM 241 N ASN A 15 20.247 13.276 -14.404 1.00 0.00 N ATOM 242 CA ASN A 15 21.679 13.676 -14.341 1.00 0.00 C ATOM 243 C ASN A 15 21.824 14.968 -13.509 1.00 0.00 C ATOM 244 O ASN A 15 22.655 15.042 -12.628 1.00 0.00 O ATOM 245 CB ASN A 15 22.192 13.933 -15.761 1.00 0.00 C ATOM 246 CG ASN A 15 22.766 12.638 -16.336 1.00 0.00 C ATOM 247 OD1 ASN A 15 22.394 11.557 -15.923 1.00 0.00 O ATOM 248 ND2 ASN A 15 23.665 12.699 -17.280 1.00 0.00 N ATOM 0 H ASN A 15 19.808 13.393 -15.317 1.00 0.00 H new ATOM 0 HA ASN A 15 22.257 12.878 -13.874 1.00 0.00 H new ATOM 0 HB2 ASN A 15 21.381 14.296 -16.392 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.958 14.709 -15.748 1.00 0.00 H new ATOM 0 HD21 ASN A 15 24.054 11.841 -17.670 1.00 0.00 H new ATOM 0 HD22 ASN A 15 23.978 13.605 -17.628 1.00 0.00 H new ATOM 255 N SER A 16 21.041 16.000 -13.782 1.00 0.00 N ATOM 256 CA SER A 16 21.186 17.258 -12.996 1.00 0.00 C ATOM 257 C SER A 16 21.176 16.955 -11.494 1.00 0.00 C ATOM 258 O SER A 16 21.953 17.504 -10.738 1.00 0.00 O ATOM 259 CB SER A 16 20.027 18.199 -13.329 1.00 0.00 C ATOM 260 OG SER A 16 18.992 17.468 -13.969 1.00 0.00 O ATOM 0 H SER A 16 20.322 16.015 -14.506 1.00 0.00 H new ATOM 0 HA SER A 16 22.135 17.728 -13.255 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.649 18.664 -12.418 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.373 19.004 -13.978 1.00 0.00 H new ATOM 0 HG SER A 16 18.737 16.704 -13.410 1.00 0.00 H new ATOM 266 N LEU A 17 20.293 16.103 -11.048 1.00 0.00 N ATOM 267 CA LEU A 17 20.229 15.792 -9.589 1.00 0.00 C ATOM 268 C LEU A 17 21.504 15.076 -9.131 1.00 0.00 C ATOM 269 O LEU A 17 21.959 15.270 -8.021 1.00 0.00 O ATOM 270 CB LEU A 17 19.008 14.908 -9.310 1.00 0.00 C ATOM 271 CG LEU A 17 17.835 15.349 -10.199 1.00 0.00 C ATOM 272 CD1 LEU A 17 16.527 14.778 -9.642 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.753 16.878 -10.223 1.00 0.00 C ATOM 0 H LEU A 17 19.614 15.610 -11.628 1.00 0.00 H new ATOM 0 HA LEU A 17 20.141 16.726 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.251 13.863 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 17 18.727 14.980 -8.259 1.00 0.00 H new ATOM 0 HG LEU A 17 17.992 14.979 -11.212 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.695 15.091 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.582 13.689 -9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.372 15.146 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.920 17.188 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.599 17.250 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.682 17.286 -10.622 1.00 0.00 H new ATOM 285 N THR A 18 22.087 14.251 -9.957 1.00 0.00 N ATOM 286 CA THR A 18 23.330 13.545 -9.524 1.00 0.00 C ATOM 287 C THR A 18 24.452 14.555 -9.357 1.00 0.00 C ATOM 288 O THR A 18 25.121 14.605 -8.344 1.00 0.00 O ATOM 289 CB THR A 18 23.729 12.496 -10.568 1.00 0.00 C ATOM 290 OG1 THR A 18 23.552 13.034 -11.870 1.00 0.00 O ATOM 291 CG2 THR A 18 22.855 11.253 -10.405 1.00 0.00 C ATOM 0 H THR A 18 21.764 14.036 -10.900 1.00 0.00 H new ATOM 0 HA THR A 18 23.146 13.045 -8.573 1.00 0.00 H new ATOM 0 HB THR A 18 24.775 12.223 -10.427 1.00 0.00 H new ATOM 0 HG1 THR A 18 23.223 13.954 -11.802 1.00 0.00 H new ATOM 0 HG21 THR A 18 23.140 10.508 -11.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 22.993 10.840 -9.406 1.00 0.00 H new ATOM 0 HG23 THR A 18 21.808 11.523 -10.545 1.00 0.00 H new ATOM 299 N GLU A 19 24.646 15.366 -10.338 1.00 0.00 N ATOM 300 CA GLU A 19 25.709 16.401 -10.256 1.00 0.00 C ATOM 301 C GLU A 19 25.392 17.320 -9.088 1.00 0.00 C ATOM 302 O GLU A 19 26.263 17.875 -8.448 1.00 0.00 O ATOM 303 CB GLU A 19 25.754 17.207 -11.556 1.00 0.00 C ATOM 304 CG GLU A 19 26.737 16.553 -12.528 1.00 0.00 C ATOM 305 CD GLU A 19 25.988 15.571 -13.432 1.00 0.00 C ATOM 306 OE1 GLU A 19 25.123 16.017 -14.168 1.00 0.00 O ATOM 307 OE2 GLU A 19 26.293 14.392 -13.372 1.00 0.00 O ATOM 0 H GLU A 19 24.112 15.363 -11.207 1.00 0.00 H new ATOM 0 HA GLU A 19 26.680 15.929 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.761 17.253 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 19 26.058 18.233 -11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.229 17.316 -13.131 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.518 16.031 -11.975 1.00 0.00 H new ATOM 314 N GLN A 20 24.140 17.460 -8.806 1.00 0.00 N ATOM 315 CA GLN A 20 23.708 18.324 -7.671 1.00 0.00 C ATOM 316 C GLN A 20 23.221 17.433 -6.527 1.00 0.00 C ATOM 317 O GLN A 20 22.076 17.026 -6.490 1.00 0.00 O ATOM 318 CB GLN A 20 22.573 19.242 -8.128 1.00 0.00 C ATOM 319 CG GLN A 20 23.044 20.089 -9.312 1.00 0.00 C ATOM 320 CD GLN A 20 22.278 21.412 -9.334 1.00 0.00 C ATOM 321 OE1 GLN A 20 22.341 22.179 -8.394 1.00 0.00 O ATOM 322 NE2 GLN A 20 21.550 21.714 -10.375 1.00 0.00 N ATOM 0 H GLN A 20 23.380 17.010 -9.316 1.00 0.00 H new ATOM 0 HA GLN A 20 24.545 18.934 -7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.705 18.649 -8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.261 19.888 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.115 20.278 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.884 19.549 -10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.497 21.070 -11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.034 22.594 -10.399 1.00 0.00 H new ATOM 331 N LYS A 21 24.082 17.124 -5.597 1.00 0.00 N ATOM 332 CA LYS A 21 23.677 16.255 -4.456 1.00 0.00 C ATOM 333 C LYS A 21 24.878 16.080 -3.526 1.00 0.00 C ATOM 334 O LYS A 21 25.542 15.063 -3.536 1.00 0.00 O ATOM 335 CB LYS A 21 23.230 14.887 -4.984 1.00 0.00 C ATOM 336 CG LYS A 21 21.720 14.732 -4.791 1.00 0.00 C ATOM 337 CD LYS A 21 21.384 14.791 -3.299 1.00 0.00 C ATOM 338 CE LYS A 21 19.964 15.330 -3.116 1.00 0.00 C ATOM 339 NZ LYS A 21 20.028 16.739 -2.632 1.00 0.00 N ATOM 0 H LYS A 21 25.053 17.437 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 21 22.850 16.713 -3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.484 14.793 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.758 14.092 -4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 21 21.192 15.522 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.385 13.784 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.467 13.798 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 21 22.097 15.431 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 21 19.421 15.282 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.418 14.713 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.523 16.818 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 21.022 17.016 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.584 17.367 -3.332 1.00 0.00 H new ATOM 353 N THR A 22 25.169 17.073 -2.732 1.00 0.00 N ATOM 354 CA THR A 22 26.342 16.972 -1.811 1.00 0.00 C ATOM 355 C THR A 22 25.969 17.467 -0.407 1.00 0.00 C ATOM 356 O THR A 22 25.877 16.692 0.525 1.00 0.00 O ATOM 357 CB THR A 22 27.499 17.817 -2.354 1.00 0.00 C ATOM 358 OG1 THR A 22 28.278 18.302 -1.268 1.00 0.00 O ATOM 359 CG2 THR A 22 26.950 18.999 -3.157 1.00 0.00 C ATOM 0 H THR A 22 24.649 17.949 -2.679 1.00 0.00 H new ATOM 0 HA THR A 22 26.645 15.927 -1.749 1.00 0.00 H new ATOM 0 HB THR A 22 28.119 17.201 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 22 29.020 18.842 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.778 19.595 -3.540 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.355 18.627 -3.991 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.325 19.618 -2.513 1.00 0.00 H new ATOM 367 N LEU A 23 25.774 18.752 -0.237 1.00 0.00 N ATOM 368 CA LEU A 23 25.434 19.285 1.115 1.00 0.00 C ATOM 369 C LEU A 23 24.065 18.784 1.583 1.00 0.00 C ATOM 370 O LEU A 23 23.628 19.092 2.673 1.00 0.00 O ATOM 371 CB LEU A 23 25.434 20.814 1.077 1.00 0.00 C ATOM 372 CG LEU A 23 25.864 21.358 2.442 1.00 0.00 C ATOM 373 CD1 LEU A 23 26.931 22.437 2.247 1.00 0.00 C ATOM 374 CD2 LEU A 23 24.653 21.961 3.155 1.00 0.00 C ATOM 0 H LEU A 23 25.836 19.452 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 23 26.185 18.929 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 23 26.113 21.169 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 23 24.440 21.182 0.823 1.00 0.00 H new ATOM 0 HG LEU A 23 26.273 20.547 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 23 27.238 22.825 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.794 22.007 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.522 23.248 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.959 22.348 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 23 24.243 22.772 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.893 21.193 3.294 1.00 0.00 H new ATOM 386 N CYS A 24 23.392 18.009 0.789 1.00 0.00 N ATOM 387 CA CYS A 24 22.067 17.489 1.217 1.00 0.00 C ATOM 388 C CYS A 24 22.117 15.953 1.222 1.00 0.00 C ATOM 389 O CYS A 24 22.556 15.361 2.187 1.00 0.00 O ATOM 390 CB CYS A 24 20.973 18.014 0.274 1.00 0.00 C ATOM 391 SG CYS A 24 19.371 17.982 1.114 1.00 0.00 S ATOM 0 H CYS A 24 23.699 17.712 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 24 21.829 17.834 2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.209 19.031 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 24 20.933 17.403 -0.628 1.00 0.00 H new ATOM 396 N THR A 25 21.701 15.304 0.154 1.00 0.00 N ATOM 397 CA THR A 25 21.746 13.807 0.104 1.00 0.00 C ATOM 398 C THR A 25 21.423 13.234 1.491 1.00 0.00 C ATOM 399 O THR A 25 20.810 13.886 2.309 1.00 0.00 O ATOM 400 CB THR A 25 23.149 13.359 -0.314 1.00 0.00 C ATOM 401 OG1 THR A 25 24.032 13.483 0.791 1.00 0.00 O ATOM 402 CG2 THR A 25 23.650 14.228 -1.470 1.00 0.00 C ATOM 0 H THR A 25 21.332 15.751 -0.685 1.00 0.00 H new ATOM 0 HA THR A 25 21.012 13.445 -0.617 1.00 0.00 H new ATOM 0 HB THR A 25 23.113 12.319 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.748 14.233 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.649 13.904 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 25 22.973 14.130 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.685 15.270 -1.153 1.00 0.00 H new ATOM 410 N GLU A 26 21.843 12.022 1.763 1.00 0.00 N ATOM 411 CA GLU A 26 21.576 11.402 3.100 1.00 0.00 C ATOM 412 C GLU A 26 20.190 11.810 3.608 1.00 0.00 C ATOM 413 O GLU A 26 19.955 11.905 4.796 1.00 0.00 O ATOM 414 CB GLU A 26 22.639 11.870 4.098 1.00 0.00 C ATOM 415 CG GLU A 26 22.697 10.896 5.276 1.00 0.00 C ATOM 416 CD GLU A 26 23.340 11.589 6.480 1.00 0.00 C ATOM 417 OE1 GLU A 26 22.642 12.321 7.161 1.00 0.00 O ATOM 418 OE2 GLU A 26 24.521 11.372 6.701 1.00 0.00 O ATOM 0 H GLU A 26 22.362 11.432 1.113 1.00 0.00 H new ATOM 0 HA GLU A 26 21.612 10.317 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.612 11.925 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.403 12.873 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.693 10.557 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.272 10.011 5.002 1.00 0.00 H new ATOM 425 N LEU A 27 19.275 12.051 2.716 1.00 0.00 N ATOM 426 CA LEU A 27 17.902 12.457 3.128 1.00 0.00 C ATOM 427 C LEU A 27 17.113 11.233 3.566 1.00 0.00 C ATOM 428 O LEU A 27 16.106 11.323 4.244 1.00 0.00 O ATOM 429 CB LEU A 27 17.223 13.095 1.936 1.00 0.00 C ATOM 430 CG LEU A 27 17.766 14.512 1.655 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.606 15.400 1.223 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.421 15.135 2.896 1.00 0.00 C ATOM 0 H LEU A 27 19.419 11.984 1.708 1.00 0.00 H new ATOM 0 HA LEU A 27 17.951 13.160 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.370 12.469 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.149 13.147 2.115 1.00 0.00 H new ATOM 0 HG LEU A 27 18.524 14.434 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.974 16.406 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 27 16.151 14.991 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.862 15.439 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.789 16.132 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.687 15.206 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.253 14.511 3.220 1.00 0.00 H new ATOM 444 N THR A 28 17.576 10.098 3.174 1.00 0.00 N ATOM 445 CA THR A 28 16.898 8.815 3.535 1.00 0.00 C ATOM 446 C THR A 28 15.654 8.616 2.669 1.00 0.00 C ATOM 447 O THR A 28 14.718 9.390 2.715 1.00 0.00 O ATOM 448 CB THR A 28 16.503 8.817 5.007 1.00 0.00 C ATOM 449 OG1 THR A 28 17.176 9.863 5.695 1.00 0.00 O ATOM 450 CG2 THR A 28 16.880 7.473 5.629 1.00 0.00 C ATOM 0 H THR A 28 18.415 9.988 2.604 1.00 0.00 H new ATOM 0 HA THR A 28 17.594 7.995 3.357 1.00 0.00 H new ATOM 0 HB THR A 28 15.428 8.976 5.089 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.603 10.658 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.600 7.468 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.354 6.672 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.955 7.319 5.539 1.00 0.00 H new ATOM 458 N VAL A 29 15.640 7.576 1.877 1.00 0.00 N ATOM 459 CA VAL A 29 14.461 7.310 1.001 1.00 0.00 C ATOM 460 C VAL A 29 14.053 5.843 1.141 1.00 0.00 C ATOM 461 O VAL A 29 14.666 5.077 1.860 1.00 0.00 O ATOM 462 CB VAL A 29 14.805 7.649 -0.478 1.00 0.00 C ATOM 463 CG1 VAL A 29 16.227 8.201 -0.581 1.00 0.00 C ATOM 464 CG2 VAL A 29 14.697 6.418 -1.388 1.00 0.00 C ATOM 0 H VAL A 29 16.397 6.897 1.799 1.00 0.00 H new ATOM 0 HA VAL A 29 13.627 7.942 1.306 1.00 0.00 H new ATOM 0 HB VAL A 29 14.082 8.395 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.453 8.433 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.310 9.107 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.934 7.457 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 29 14.945 6.699 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.390 5.650 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.679 6.030 -1.355 1.00 0.00 H new ATOM 474 N THR A 30 13.030 5.448 0.441 1.00 0.00 N ATOM 475 CA THR A 30 12.583 4.027 0.510 1.00 0.00 C ATOM 476 C THR A 30 13.464 3.186 -0.420 1.00 0.00 C ATOM 477 O THR A 30 13.207 3.074 -1.603 1.00 0.00 O ATOM 478 CB THR A 30 11.121 3.921 0.071 1.00 0.00 C ATOM 479 OG1 THR A 30 10.319 4.752 0.898 1.00 0.00 O ATOM 480 CG2 THR A 30 10.652 2.470 0.197 1.00 0.00 C ATOM 0 H THR A 30 12.482 6.046 -0.177 1.00 0.00 H new ATOM 0 HA THR A 30 12.671 3.662 1.533 1.00 0.00 H new ATOM 0 HB THR A 30 11.029 4.242 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.382 4.687 0.617 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.611 2.396 -0.116 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.268 1.832 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.743 2.147 1.234 1.00 0.00 H new ATOM 488 N ASP A 31 14.509 2.608 0.105 1.00 0.00 N ATOM 489 CA ASP A 31 15.424 1.789 -0.743 1.00 0.00 C ATOM 490 C ASP A 31 14.655 0.646 -1.409 1.00 0.00 C ATOM 491 O ASP A 31 14.412 -0.383 -0.813 1.00 0.00 O ATOM 492 CB ASP A 31 16.533 1.203 0.131 1.00 0.00 C ATOM 493 CG ASP A 31 17.694 0.747 -0.757 1.00 0.00 C ATOM 494 OD1 ASP A 31 18.174 1.559 -1.532 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.079 -0.404 -0.650 1.00 0.00 O ATOM 0 H ASP A 31 14.771 2.667 1.089 1.00 0.00 H new ATOM 0 HA ASP A 31 15.852 2.427 -1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.879 1.949 0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.150 0.361 0.708 1.00 0.00 H new ATOM 500 N ILE A 32 14.279 0.815 -2.648 1.00 0.00 N ATOM 501 CA ILE A 32 13.535 -0.270 -3.358 1.00 0.00 C ATOM 502 C ILE A 32 14.533 -1.245 -3.990 1.00 0.00 C ATOM 503 O ILE A 32 14.329 -1.728 -5.086 1.00 0.00 O ATOM 504 CB ILE A 32 12.672 0.346 -4.471 1.00 0.00 C ATOM 505 CG1 ILE A 32 13.588 0.873 -5.582 1.00 0.00 C ATOM 506 CG2 ILE A 32 11.856 1.500 -3.894 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.252 0.168 -6.897 1.00 0.00 C ATOM 0 H ILE A 32 14.453 1.655 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 32 12.902 -0.798 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 32 11.998 -0.408 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.462 1.950 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.632 0.700 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.242 1.940 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.213 1.128 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.530 2.257 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.903 0.542 -7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.401 -0.906 -6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.213 0.364 -7.160 1.00 0.00 H new ATOM 519 N PHE A 33 15.616 -1.529 -3.321 1.00 0.00 N ATOM 520 CA PHE A 33 16.623 -2.460 -3.904 1.00 0.00 C ATOM 521 C PHE A 33 16.937 -3.594 -2.912 1.00 0.00 C ATOM 522 O PHE A 33 18.039 -4.107 -2.885 1.00 0.00 O ATOM 523 CB PHE A 33 17.901 -1.675 -4.208 1.00 0.00 C ATOM 524 CG PHE A 33 17.596 -0.630 -5.256 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.558 -0.989 -6.608 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.342 0.694 -4.876 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.270 -0.025 -7.582 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.050 1.658 -5.850 1.00 0.00 C ATOM 529 CZ PHE A 33 17.013 1.298 -7.204 1.00 0.00 C ATOM 0 H PHE A 33 15.847 -1.158 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 33 16.226 -2.898 -4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.277 -1.201 -3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 33 18.681 -2.348 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.751 -2.011 -6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.371 0.972 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.246 -0.302 -8.625 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.853 2.679 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.786 2.041 -7.955 1.00 0.00 H new ATOM 539 N ALA A 34 15.990 -3.998 -2.097 1.00 0.00 N ATOM 540 CA ALA A 34 16.266 -5.096 -1.128 1.00 0.00 C ATOM 541 C ALA A 34 15.032 -5.995 -1.019 1.00 0.00 C ATOM 542 O ALA A 34 14.462 -6.159 0.041 1.00 0.00 O ATOM 543 CB ALA A 34 16.586 -4.499 0.244 1.00 0.00 C ATOM 0 H ALA A 34 15.045 -3.615 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 34 17.117 -5.683 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.788 -5.303 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.463 -3.856 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.736 -3.913 0.593 1.00 0.00 H new ATOM 549 N ALA A 35 14.612 -6.574 -2.111 1.00 0.00 N ATOM 550 CA ALA A 35 13.414 -7.458 -2.074 1.00 0.00 C ATOM 551 C ALA A 35 13.053 -7.872 -3.501 1.00 0.00 C ATOM 552 O ALA A 35 12.206 -7.275 -4.135 1.00 0.00 O ATOM 553 CB ALA A 35 12.240 -6.702 -1.447 1.00 0.00 C ATOM 0 H ALA A 35 15.048 -6.472 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 35 13.630 -8.345 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.363 -7.349 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.501 -6.402 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.019 -5.816 -2.042 1.00 0.00 H new ATOM 559 N SER A 36 13.692 -8.887 -4.012 1.00 0.00 N ATOM 560 CA SER A 36 13.390 -9.335 -5.400 1.00 0.00 C ATOM 561 C SER A 36 13.719 -8.209 -6.381 1.00 0.00 C ATOM 562 O SER A 36 12.956 -7.907 -7.276 1.00 0.00 O ATOM 563 CB SER A 36 11.906 -9.691 -5.511 1.00 0.00 C ATOM 564 OG SER A 36 11.772 -11.065 -5.843 1.00 0.00 O ATOM 0 H SER A 36 14.410 -9.426 -3.528 1.00 0.00 H new ATOM 0 HA SER A 36 13.992 -10.212 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.400 -9.483 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.429 -9.074 -6.272 1.00 0.00 H new ATOM 0 HG SER A 36 10.822 -11.294 -5.912 1.00 0.00 H new ATOM 570 N LYS A 37 14.855 -7.587 -6.221 1.00 0.00 N ATOM 571 CA LYS A 37 15.236 -6.481 -7.145 1.00 0.00 C ATOM 572 C LYS A 37 15.848 -7.068 -8.419 1.00 0.00 C ATOM 573 O LYS A 37 16.374 -6.357 -9.251 1.00 0.00 O ATOM 574 CB LYS A 37 16.261 -5.575 -6.459 1.00 0.00 C ATOM 575 CG LYS A 37 16.722 -4.493 -7.438 1.00 0.00 C ATOM 576 CD LYS A 37 18.165 -4.771 -7.865 1.00 0.00 C ATOM 577 CE LYS A 37 18.645 -3.658 -8.800 1.00 0.00 C ATOM 578 NZ LYS A 37 19.905 -4.083 -9.471 1.00 0.00 N ATOM 0 H LYS A 37 15.536 -7.797 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 37 14.350 -5.900 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.821 -5.116 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.115 -6.163 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.070 -4.476 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.653 -3.511 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.810 -4.827 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.227 -5.736 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.880 -3.439 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.812 -2.741 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.232 -3.327 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.634 -4.271 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.730 -4.947 -10.022 1.00 0.00 H new ATOM 592 N ASN A 38 15.782 -8.361 -8.579 1.00 0.00 N ATOM 593 CA ASN A 38 16.360 -8.991 -9.799 1.00 0.00 C ATOM 594 C ASN A 38 15.287 -9.074 -10.886 1.00 0.00 C ATOM 595 O ASN A 38 15.331 -9.925 -11.753 1.00 0.00 O ATOM 596 CB ASN A 38 16.852 -10.399 -9.461 1.00 0.00 C ATOM 597 CG ASN A 38 18.260 -10.596 -10.028 1.00 0.00 C ATOM 598 OD1 ASN A 38 18.563 -10.128 -11.109 1.00 0.00 O ATOM 599 ND2 ASN A 38 19.138 -11.273 -9.342 1.00 0.00 N ATOM 0 H ASN A 38 15.353 -9.008 -7.918 1.00 0.00 H new ATOM 0 HA ASN A 38 17.196 -8.390 -10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.860 -10.544 -8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.173 -11.143 -9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.079 -11.410 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.884 -11.666 -8.435 1.00 0.00 H new ATOM 606 N THR A 39 14.323 -8.194 -10.850 1.00 0.00 N ATOM 607 CA THR A 39 13.250 -8.223 -11.882 1.00 0.00 C ATOM 608 C THR A 39 13.622 -7.281 -13.030 1.00 0.00 C ATOM 609 O THR A 39 14.548 -6.501 -12.930 1.00 0.00 O ATOM 610 CB THR A 39 11.929 -7.768 -11.256 1.00 0.00 C ATOM 611 OG1 THR A 39 11.015 -7.419 -12.286 1.00 0.00 O ATOM 612 CG2 THR A 39 12.178 -6.554 -10.360 1.00 0.00 C ATOM 0 H THR A 39 14.233 -7.457 -10.151 1.00 0.00 H new ATOM 0 HA THR A 39 13.140 -9.237 -12.265 1.00 0.00 H new ATOM 0 HB THR A 39 11.512 -8.578 -10.658 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.119 -7.738 -12.050 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.237 -6.231 -9.915 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.880 -6.822 -9.570 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.595 -5.742 -10.955 1.00 0.00 H new ATOM 620 N THR A 40 12.907 -7.348 -14.120 1.00 0.00 N ATOM 621 CA THR A 40 13.216 -6.458 -15.275 1.00 0.00 C ATOM 622 C THR A 40 13.497 -5.044 -14.769 1.00 0.00 C ATOM 623 O THR A 40 13.015 -4.639 -13.731 1.00 0.00 O ATOM 624 CB THR A 40 12.020 -6.430 -16.229 1.00 0.00 C ATOM 625 OG1 THR A 40 10.843 -6.114 -15.498 1.00 0.00 O ATOM 626 CG2 THR A 40 11.859 -7.800 -16.891 1.00 0.00 C ATOM 0 H THR A 40 12.121 -7.982 -14.261 1.00 0.00 H new ATOM 0 HA THR A 40 14.093 -6.836 -15.801 1.00 0.00 H new ATOM 0 HB THR A 40 12.186 -5.676 -16.998 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.075 -6.094 -16.107 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.007 -7.778 -17.570 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.763 -8.042 -17.450 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.693 -8.557 -16.125 1.00 0.00 H new ATOM 634 N GLU A 41 14.275 -4.284 -15.495 1.00 0.00 N ATOM 635 CA GLU A 41 14.573 -2.896 -15.046 1.00 0.00 C ATOM 636 C GLU A 41 13.259 -2.129 -14.925 1.00 0.00 C ATOM 637 O GLU A 41 13.036 -1.416 -13.972 1.00 0.00 O ATOM 638 CB GLU A 41 15.482 -2.194 -16.062 1.00 0.00 C ATOM 639 CG GLU A 41 16.659 -3.104 -16.417 1.00 0.00 C ATOM 640 CD GLU A 41 17.642 -2.345 -17.310 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.736 -1.138 -17.159 1.00 0.00 O ATOM 642 OE2 GLU A 41 18.282 -2.982 -18.130 1.00 0.00 O ATOM 0 H GLU A 41 14.713 -4.564 -16.373 1.00 0.00 H new ATOM 0 HA GLU A 41 15.083 -2.927 -14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.917 -1.948 -16.961 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.848 -1.254 -15.648 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.160 -3.438 -15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.300 -3.996 -16.930 1.00 0.00 H new ATOM 649 N LYS A 42 12.382 -2.276 -15.876 1.00 0.00 N ATOM 650 CA LYS A 42 11.086 -1.548 -15.804 1.00 0.00 C ATOM 651 C LYS A 42 10.469 -1.757 -14.419 1.00 0.00 C ATOM 652 O LYS A 42 9.770 -0.905 -13.906 1.00 0.00 O ATOM 653 CB LYS A 42 10.134 -2.093 -16.871 1.00 0.00 C ATOM 654 CG LYS A 42 10.463 -1.455 -18.222 1.00 0.00 C ATOM 655 CD LYS A 42 9.358 -1.792 -19.227 1.00 0.00 C ATOM 656 CE LYS A 42 9.343 -0.745 -20.343 1.00 0.00 C ATOM 657 NZ LYS A 42 8.093 -0.889 -21.141 1.00 0.00 N ATOM 0 H LYS A 42 12.505 -2.867 -16.698 1.00 0.00 H new ATOM 0 HA LYS A 42 11.253 -0.485 -15.976 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.227 -3.177 -16.937 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.101 -1.877 -16.597 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.554 -0.374 -18.114 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.424 -1.821 -18.585 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.525 -2.784 -19.647 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.391 -1.817 -18.725 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.402 0.257 -19.917 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.214 -0.870 -20.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.082 -0.178 -21.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.055 -1.841 -21.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.268 -0.749 -20.523 1.00 0.00 H new ATOM 671 N GLU A 43 10.726 -2.881 -13.806 1.00 0.00 N ATOM 672 CA GLU A 43 10.156 -3.133 -12.451 1.00 0.00 C ATOM 673 C GLU A 43 10.841 -2.228 -11.426 1.00 0.00 C ATOM 674 O GLU A 43 10.195 -1.650 -10.576 1.00 0.00 O ATOM 675 CB GLU A 43 10.376 -4.598 -12.068 1.00 0.00 C ATOM 676 CG GLU A 43 9.301 -5.030 -11.068 1.00 0.00 C ATOM 677 CD GLU A 43 7.917 -4.781 -11.667 1.00 0.00 C ATOM 678 OE1 GLU A 43 7.838 -4.608 -12.872 1.00 0.00 O ATOM 679 OE2 GLU A 43 6.959 -4.767 -10.911 1.00 0.00 O ATOM 0 H GLU A 43 11.303 -3.633 -14.183 1.00 0.00 H new ATOM 0 HA GLU A 43 9.088 -2.917 -12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.335 -5.228 -12.957 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.367 -4.726 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.419 -6.086 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.411 -4.474 -10.137 1.00 0.00 H new ATOM 686 N THR A 44 12.139 -2.088 -11.495 1.00 0.00 N ATOM 687 CA THR A 44 12.822 -1.202 -10.505 1.00 0.00 C ATOM 688 C THR A 44 12.329 0.224 -10.715 1.00 0.00 C ATOM 689 O THR A 44 12.282 1.019 -9.803 1.00 0.00 O ATOM 690 CB THR A 44 14.359 -1.275 -10.639 1.00 0.00 C ATOM 691 OG1 THR A 44 14.947 -0.838 -9.423 1.00 0.00 O ATOM 692 CG2 THR A 44 14.857 -0.382 -11.782 1.00 0.00 C ATOM 0 H THR A 44 12.746 -2.539 -12.179 1.00 0.00 H new ATOM 0 HA THR A 44 12.579 -1.538 -9.497 1.00 0.00 H new ATOM 0 HB THR A 44 14.641 -2.305 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.597 -0.129 -9.610 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.942 -0.453 -11.853 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.410 -0.709 -12.721 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.573 0.652 -11.586 1.00 0.00 H new ATOM 700 N PHE A 45 11.958 0.541 -11.917 1.00 0.00 N ATOM 701 CA PHE A 45 11.446 1.910 -12.210 1.00 0.00 C ATOM 702 C PHE A 45 10.057 2.074 -11.588 1.00 0.00 C ATOM 703 O PHE A 45 9.670 3.150 -11.183 1.00 0.00 O ATOM 704 CB PHE A 45 11.359 2.124 -13.722 1.00 0.00 C ATOM 705 CG PHE A 45 12.772 2.264 -14.297 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.744 1.289 -14.017 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.123 3.362 -15.107 1.00 0.00 C ATOM 708 CE1 PHE A 45 15.032 1.401 -14.532 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.423 3.466 -15.622 1.00 0.00 C ATOM 710 CZ PHE A 45 15.374 2.481 -15.330 1.00 0.00 C ATOM 0 H PHE A 45 11.986 -0.090 -12.718 1.00 0.00 H new ATOM 0 HA PHE A 45 12.128 2.647 -11.786 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.845 1.285 -14.190 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.775 3.018 -13.941 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.489 0.443 -13.395 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.391 4.124 -15.331 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.768 0.643 -14.309 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.691 4.307 -16.245 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.375 2.563 -15.727 1.00 0.00 H new ATOM 720 N CYS A 46 9.297 1.009 -11.525 1.00 0.00 N ATOM 721 CA CYS A 46 7.930 1.098 -10.945 1.00 0.00 C ATOM 722 C CYS A 46 8.022 1.306 -9.427 1.00 0.00 C ATOM 723 O CYS A 46 7.410 2.199 -8.874 1.00 0.00 O ATOM 724 CB CYS A 46 7.179 -0.204 -11.259 1.00 0.00 C ATOM 725 SG CYS A 46 5.707 -0.346 -10.214 1.00 0.00 S ATOM 0 H CYS A 46 9.569 0.082 -11.852 1.00 0.00 H new ATOM 0 HA CYS A 46 7.394 1.943 -11.377 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.891 -0.221 -12.310 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.835 -1.059 -11.094 1.00 0.00 H new ATOM 730 N ARG A 47 8.780 0.488 -8.752 1.00 0.00 N ATOM 731 CA ARG A 47 8.913 0.632 -7.272 1.00 0.00 C ATOM 732 C ARG A 47 9.725 1.885 -6.936 1.00 0.00 C ATOM 733 O ARG A 47 9.516 2.519 -5.921 1.00 0.00 O ATOM 734 CB ARG A 47 9.631 -0.596 -6.711 1.00 0.00 C ATOM 735 CG ARG A 47 9.518 -0.600 -5.185 1.00 0.00 C ATOM 736 CD ARG A 47 8.167 -1.190 -4.774 1.00 0.00 C ATOM 737 NE ARG A 47 7.127 -0.124 -4.813 1.00 0.00 N ATOM 738 CZ ARG A 47 6.863 0.570 -3.740 1.00 0.00 C ATOM 739 NH1 ARG A 47 7.522 1.670 -3.497 1.00 0.00 N ATOM 740 NH2 ARG A 47 5.940 0.165 -2.912 1.00 0.00 N ATOM 0 H ARG A 47 9.316 -0.277 -9.161 1.00 0.00 H new ATOM 0 HA ARG A 47 7.920 0.720 -6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.193 -1.506 -7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.680 -0.585 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.329 -1.185 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.616 0.415 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.894 -2.004 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.233 -1.613 -3.771 1.00 0.00 H new ATOM 0 HE ARG A 47 6.621 0.063 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.243 1.987 -4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.316 2.213 -2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.425 -0.694 -3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.734 0.707 -2.073 1.00 0.00 H new ATOM 754 N ALA A 48 10.659 2.234 -7.773 1.00 0.00 N ATOM 755 CA ALA A 48 11.503 3.443 -7.488 1.00 0.00 C ATOM 756 C ALA A 48 10.666 4.697 -7.641 1.00 0.00 C ATOM 757 O ALA A 48 10.621 5.551 -6.783 1.00 0.00 O ATOM 758 CB ALA A 48 12.703 3.512 -8.448 1.00 0.00 C ATOM 0 H ALA A 48 10.880 1.743 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 48 11.876 3.368 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.299 4.396 -8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.317 2.620 -8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.344 3.569 -9.476 1.00 0.00 H new ATOM 764 N ALA A 49 10.000 4.802 -8.724 1.00 0.00 N ATOM 765 CA ALA A 49 9.144 5.991 -8.962 1.00 0.00 C ATOM 766 C ALA A 49 8.199 6.170 -7.779 1.00 0.00 C ATOM 767 O ALA A 49 7.805 7.269 -7.444 1.00 0.00 O ATOM 768 CB ALA A 49 8.329 5.777 -10.235 1.00 0.00 C ATOM 0 H ALA A 49 10.002 4.113 -9.476 1.00 0.00 H new ATOM 0 HA ALA A 49 9.766 6.879 -9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.698 6.648 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.004 5.638 -11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.702 4.893 -10.121 1.00 0.00 H new ATOM 774 N THR A 50 7.835 5.096 -7.141 1.00 0.00 N ATOM 775 CA THR A 50 6.919 5.201 -5.977 1.00 0.00 C ATOM 776 C THR A 50 7.642 5.899 -4.825 1.00 0.00 C ATOM 777 O THR A 50 7.083 6.744 -4.154 1.00 0.00 O ATOM 778 CB THR A 50 6.486 3.802 -5.537 1.00 0.00 C ATOM 779 OG1 THR A 50 6.501 2.930 -6.659 1.00 0.00 O ATOM 780 CG2 THR A 50 5.074 3.863 -4.953 1.00 0.00 C ATOM 0 H THR A 50 8.133 4.149 -7.376 1.00 0.00 H new ATOM 0 HA THR A 50 6.038 5.779 -6.258 1.00 0.00 H new ATOM 0 HB THR A 50 7.174 3.429 -4.778 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.225 2.032 -6.379 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.766 2.865 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.065 4.532 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.383 4.235 -5.710 1.00 0.00 H new ATOM 788 N VAL A 51 8.876 5.548 -4.578 1.00 0.00 N ATOM 789 CA VAL A 51 9.608 6.196 -3.456 1.00 0.00 C ATOM 790 C VAL A 51 9.930 7.652 -3.793 1.00 0.00 C ATOM 791 O VAL A 51 9.651 8.526 -3.009 1.00 0.00 O ATOM 792 CB VAL A 51 10.889 5.419 -3.131 1.00 0.00 C ATOM 793 CG1 VAL A 51 10.607 3.920 -3.234 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.008 5.792 -4.100 1.00 0.00 C ATOM 0 H VAL A 51 9.403 4.848 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 51 8.967 6.184 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 51 11.207 5.673 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.515 3.362 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.824 3.648 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.280 3.680 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.908 5.229 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.701 5.554 -5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.215 6.859 -4.023 1.00 0.00 H new ATOM 804 N LEU A 52 10.505 7.947 -4.932 1.00 0.00 N ATOM 805 CA LEU A 52 10.800 9.382 -5.223 1.00 0.00 C ATOM 806 C LEU A 52 9.541 10.203 -4.962 1.00 0.00 C ATOM 807 O LEU A 52 9.607 11.361 -4.605 1.00 0.00 O ATOM 808 CB LEU A 52 11.207 9.564 -6.685 1.00 0.00 C ATOM 809 CG LEU A 52 12.507 8.818 -6.959 1.00 0.00 C ATOM 810 CD1 LEU A 52 12.474 8.254 -8.382 1.00 0.00 C ATOM 811 CD2 LEU A 52 13.684 9.785 -6.817 1.00 0.00 C ATOM 0 H LEU A 52 10.776 7.279 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 52 11.619 9.711 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.419 9.192 -7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.332 10.624 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 52 12.621 8.001 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.402 7.719 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.632 7.570 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.365 9.071 -9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.616 9.255 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.573 10.600 -7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.702 10.190 -5.805 1.00 0.00 H new ATOM 823 N ARG A 53 8.390 9.616 -5.143 1.00 0.00 N ATOM 824 CA ARG A 53 7.131 10.372 -4.909 1.00 0.00 C ATOM 825 C ARG A 53 7.041 10.760 -3.432 1.00 0.00 C ATOM 826 O ARG A 53 6.800 11.902 -3.096 1.00 0.00 O ATOM 827 CB ARG A 53 5.932 9.494 -5.280 1.00 0.00 C ATOM 828 CG ARG A 53 4.646 10.314 -5.158 1.00 0.00 C ATOM 829 CD ARG A 53 3.996 10.046 -3.800 1.00 0.00 C ATOM 830 NE ARG A 53 2.610 10.590 -3.796 1.00 0.00 N ATOM 831 CZ ARG A 53 1.592 9.783 -3.669 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.457 8.771 -4.482 1.00 0.00 N ATOM 833 NH2 ARG A 53 0.710 9.986 -2.728 1.00 0.00 N ATOM 0 H ARG A 53 8.269 8.648 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 53 7.126 11.272 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.042 9.119 -6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.886 8.625 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.868 11.376 -5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.957 10.051 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.978 8.975 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.582 10.510 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 53 2.456 11.594 -3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.147 8.611 -5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.662 8.140 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.816 10.776 -2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.085 9.355 -2.630 1.00 0.00 H new ATOM 847 N GLN A 54 7.222 9.817 -2.549 1.00 0.00 N ATOM 848 CA GLN A 54 7.136 10.139 -1.094 1.00 0.00 C ATOM 849 C GLN A 54 8.324 10.991 -0.646 1.00 0.00 C ATOM 850 O GLN A 54 8.240 11.753 0.295 1.00 0.00 O ATOM 851 CB GLN A 54 7.103 8.840 -0.284 1.00 0.00 C ATOM 852 CG GLN A 54 5.996 7.932 -0.820 1.00 0.00 C ATOM 853 CD GLN A 54 5.258 7.283 0.351 1.00 0.00 C ATOM 854 OE1 GLN A 54 5.756 6.357 0.961 1.00 0.00 O ATOM 855 NE2 GLN A 54 4.080 7.730 0.694 1.00 0.00 N ATOM 0 H GLN A 54 7.425 8.842 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 54 6.223 10.708 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.066 8.334 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.929 9.060 0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.299 8.510 -1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.422 7.164 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.661 8.507 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.579 7.302 1.473 1.00 0.00 H new ATOM 864 N PHE A 55 9.430 10.837 -1.292 1.00 0.00 N ATOM 865 CA PHE A 55 10.649 11.594 -0.900 1.00 0.00 C ATOM 866 C PHE A 55 10.520 13.087 -1.221 1.00 0.00 C ATOM 867 O PHE A 55 10.741 13.921 -0.373 1.00 0.00 O ATOM 868 CB PHE A 55 11.838 11.038 -1.686 1.00 0.00 C ATOM 869 CG PHE A 55 13.061 11.861 -1.382 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.252 13.089 -2.025 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.999 11.400 -0.457 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.386 13.858 -1.741 1.00 0.00 C ATOM 873 CE2 PHE A 55 15.132 12.165 -0.171 1.00 0.00 C ATOM 874 CZ PHE A 55 15.327 13.395 -0.814 1.00 0.00 C ATOM 0 H PHE A 55 9.551 10.211 -2.088 1.00 0.00 H new ATOM 0 HA PHE A 55 10.787 11.483 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 55 12.011 9.996 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.626 11.062 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.524 13.443 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.849 10.452 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.535 14.806 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.858 11.809 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.204 13.986 -0.594 1.00 0.00 H new ATOM 884 N TYR A 56 10.181 13.440 -2.431 1.00 0.00 N ATOM 885 CA TYR A 56 10.072 14.894 -2.769 1.00 0.00 C ATOM 886 C TYR A 56 8.820 15.511 -2.105 1.00 0.00 C ATOM 887 O TYR A 56 8.849 16.651 -1.689 1.00 0.00 O ATOM 888 CB TYR A 56 10.042 15.099 -4.301 1.00 0.00 C ATOM 889 CG TYR A 56 8.667 14.837 -4.871 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.623 15.736 -4.626 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.441 13.703 -5.664 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.355 15.502 -5.168 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.173 13.471 -6.205 1.00 0.00 C ATOM 894 CZ TYR A 56 6.128 14.370 -5.957 1.00 0.00 C ATOM 895 OH TYR A 56 4.878 14.139 -6.491 1.00 0.00 O ATOM 0 H TYR A 56 9.976 12.795 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 56 10.952 15.405 -2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.347 16.118 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.765 14.433 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.797 16.611 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.246 13.009 -5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.550 16.196 -4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.999 12.597 -6.815 1.00 0.00 H new ATOM 0 HH TYR A 56 4.894 13.310 -7.014 1.00 0.00 H new ATOM 905 N SER A 57 7.709 14.798 -2.000 1.00 0.00 N ATOM 906 CA SER A 57 6.506 15.416 -1.370 1.00 0.00 C ATOM 907 C SER A 57 6.717 15.602 0.140 1.00 0.00 C ATOM 908 O SER A 57 6.423 16.643 0.690 1.00 0.00 O ATOM 909 CB SER A 57 5.294 14.511 -1.602 1.00 0.00 C ATOM 910 OG SER A 57 5.334 13.995 -2.923 1.00 0.00 O ATOM 0 H SER A 57 7.594 13.836 -2.319 1.00 0.00 H new ATOM 0 HA SER A 57 6.338 16.393 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.294 13.694 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.373 15.073 -1.447 1.00 0.00 H new ATOM 0 HG SER A 57 5.338 14.736 -3.564 1.00 0.00 H new ATOM 916 N HIS A 58 7.194 14.593 0.816 1.00 0.00 N ATOM 917 CA HIS A 58 7.389 14.703 2.294 1.00 0.00 C ATOM 918 C HIS A 58 8.546 15.650 2.635 1.00 0.00 C ATOM 919 O HIS A 58 8.510 16.342 3.634 1.00 0.00 O ATOM 920 CB HIS A 58 7.691 13.317 2.867 1.00 0.00 C ATOM 921 CG HIS A 58 6.753 13.032 4.009 1.00 0.00 C ATOM 922 ND1 HIS A 58 5.748 12.083 3.918 1.00 0.00 N ATOM 923 CD2 HIS A 58 6.657 13.562 5.272 1.00 0.00 C ATOM 924 CE1 HIS A 58 5.094 12.071 5.096 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.607 12.953 5.956 1.00 0.00 N ATOM 0 H HIS A 58 7.458 13.695 0.410 1.00 0.00 H new ATOM 0 HA HIS A 58 6.475 15.106 2.730 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.579 12.559 2.092 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.724 13.271 3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.298 14.333 5.674 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.256 11.426 5.317 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.297 13.141 6.909 1.00 0.00 H new ATOM 933 N HIS A 59 9.581 15.677 1.842 1.00 0.00 N ATOM 934 CA HIS A 59 10.734 16.561 2.158 1.00 0.00 C ATOM 935 C HIS A 59 10.355 18.031 1.967 1.00 0.00 C ATOM 936 O HIS A 59 10.905 18.894 2.621 1.00 0.00 O ATOM 937 CB HIS A 59 11.903 16.214 1.242 1.00 0.00 C ATOM 938 CG HIS A 59 12.955 15.481 2.027 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.942 16.145 2.741 1.00 0.00 N ATOM 940 CD2 HIS A 59 13.189 14.142 2.220 1.00 0.00 C ATOM 941 CE1 HIS A 59 14.716 15.211 3.325 1.00 0.00 C ATOM 942 NE2 HIS A 59 14.302 13.974 3.039 1.00 0.00 N ATOM 0 H HIS A 59 9.677 15.125 0.990 1.00 0.00 H new ATOM 0 HA HIS A 59 11.019 16.407 3.199 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.558 15.597 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.323 17.123 0.811 1.00 0.00 H new ATOM 0 HD1 HIS A 59 14.060 17.156 2.811 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.599 13.341 1.800 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.568 15.435 3.949 1.00 0.00 H new ATOM 950 N GLU A 60 9.436 18.323 1.069 1.00 0.00 N ATOM 951 CA GLU A 60 9.027 19.748 0.829 1.00 0.00 C ATOM 952 C GLU A 60 9.143 20.541 2.132 1.00 0.00 C ATOM 953 O GLU A 60 9.776 21.576 2.192 1.00 0.00 O ATOM 954 CB GLU A 60 7.575 19.786 0.345 1.00 0.00 C ATOM 955 CG GLU A 60 7.515 19.422 -1.140 1.00 0.00 C ATOM 956 CD GLU A 60 6.874 20.570 -1.921 1.00 0.00 C ATOM 957 OE1 GLU A 60 7.152 21.711 -1.594 1.00 0.00 O ATOM 958 OE2 GLU A 60 6.116 20.288 -2.835 1.00 0.00 O ATOM 0 H GLU A 60 8.952 17.634 0.493 1.00 0.00 H new ATOM 0 HA GLU A 60 9.678 20.188 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.970 19.089 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.155 20.779 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.518 19.226 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.938 18.507 -1.278 1.00 0.00 H new ATOM 965 N LYS A 61 8.556 20.039 3.180 1.00 0.00 N ATOM 966 CA LYS A 61 8.643 20.730 4.497 1.00 0.00 C ATOM 967 C LYS A 61 8.841 19.670 5.581 1.00 0.00 C ATOM 968 O LYS A 61 7.913 18.985 5.961 1.00 0.00 O ATOM 969 CB LYS A 61 7.349 21.502 4.762 1.00 0.00 C ATOM 970 CG LYS A 61 6.908 22.215 3.481 1.00 0.00 C ATOM 971 CD LYS A 61 6.099 23.464 3.843 1.00 0.00 C ATOM 972 CE LYS A 61 5.061 23.734 2.754 1.00 0.00 C ATOM 973 NZ LYS A 61 4.134 22.571 2.653 1.00 0.00 N ATOM 0 H LYS A 61 8.016 19.174 3.182 1.00 0.00 H new ATOM 0 HA LYS A 61 9.477 21.432 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.568 20.820 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.503 22.228 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.780 22.493 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.306 21.544 2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.605 23.324 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.763 24.322 3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.501 24.640 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.556 23.902 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.174 22.910 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.454 21.937 1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.126 22.054 3.555 1.00 0.00 H new ATOM 987 N ASP A 62 10.040 19.512 6.081 1.00 0.00 N ATOM 988 CA ASP A 62 10.265 18.480 7.126 1.00 0.00 C ATOM 989 C ASP A 62 11.546 18.800 7.881 1.00 0.00 C ATOM 990 O ASP A 62 12.176 17.939 8.462 1.00 0.00 O ATOM 991 CB ASP A 62 10.384 17.105 6.469 1.00 0.00 C ATOM 992 CG ASP A 62 9.779 16.043 7.390 1.00 0.00 C ATOM 993 OD1 ASP A 62 8.742 16.312 7.971 1.00 0.00 O ATOM 994 OD2 ASP A 62 10.365 14.977 7.497 1.00 0.00 O ATOM 0 H ASP A 62 10.864 20.050 5.811 1.00 0.00 H new ATOM 0 HA ASP A 62 9.426 18.474 7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.869 17.104 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.431 16.875 6.270 1.00 0.00 H new ATOM 999 N THR A 63 11.929 20.038 7.869 1.00 0.00 N ATOM 1000 CA THR A 63 13.175 20.446 8.575 1.00 0.00 C ATOM 1001 C THR A 63 14.261 19.411 8.293 1.00 0.00 C ATOM 1002 O THR A 63 15.157 19.195 9.084 1.00 0.00 O ATOM 1003 CB THR A 63 12.915 20.520 10.082 1.00 0.00 C ATOM 1004 OG1 THR A 63 12.317 19.307 10.517 1.00 0.00 O ATOM 1005 CG2 THR A 63 11.977 21.689 10.383 1.00 0.00 C ATOM 0 H THR A 63 11.432 20.794 7.398 1.00 0.00 H new ATOM 0 HA THR A 63 13.495 21.426 8.222 1.00 0.00 H new ATOM 0 HB THR A 63 13.858 20.670 10.607 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.682 18.559 10.000 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.793 21.741 11.456 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.436 22.619 10.049 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.032 21.542 9.859 1.00 0.00 H new ATOM 1013 N ARG A 64 14.180 18.772 7.162 1.00 0.00 N ATOM 1014 CA ARG A 64 15.195 17.749 6.803 1.00 0.00 C ATOM 1015 C ARG A 64 16.083 18.307 5.695 1.00 0.00 C ATOM 1016 O ARG A 64 15.768 18.211 4.526 1.00 0.00 O ATOM 1017 CB ARG A 64 14.493 16.481 6.307 1.00 0.00 C ATOM 1018 CG ARG A 64 13.992 15.676 7.508 1.00 0.00 C ATOM 1019 CD ARG A 64 15.173 14.976 8.183 1.00 0.00 C ATOM 1020 NE ARG A 64 15.131 15.237 9.649 1.00 0.00 N ATOM 1021 CZ ARG A 64 16.199 15.049 10.376 1.00 0.00 C ATOM 1022 NH1 ARG A 64 17.204 15.875 10.284 1.00 0.00 N ATOM 1023 NH2 ARG A 64 16.259 14.035 11.195 1.00 0.00 N ATOM 0 H ARG A 64 13.448 18.916 6.466 1.00 0.00 H new ATOM 0 HA ARG A 64 15.800 17.504 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.658 16.744 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.181 15.879 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.492 16.335 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.256 14.940 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.132 13.904 7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.112 15.338 7.765 1.00 0.00 H new ATOM 0 HE ARG A 64 14.268 15.562 10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.156 16.668 9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.038 15.728 10.852 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.472 13.390 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.093 13.887 11.763 1.00 0.00 H new ATOM 1037 N CYS A 65 17.187 18.891 6.059 1.00 0.00 N ATOM 1038 CA CYS A 65 18.106 19.464 5.034 1.00 0.00 C ATOM 1039 C CYS A 65 17.558 20.801 4.519 1.00 0.00 C ATOM 1040 O CYS A 65 18.023 21.320 3.524 1.00 0.00 O ATOM 1041 CB CYS A 65 18.237 18.485 3.865 1.00 0.00 C ATOM 1042 SG CYS A 65 19.703 18.895 2.886 1.00 0.00 S ATOM 0 H CYS A 65 17.496 18.998 7.025 1.00 0.00 H new ATOM 0 HA CYS A 65 19.083 19.632 5.487 1.00 0.00 H new ATOM 0 HB2 CYS A 65 18.312 17.464 4.240 1.00 0.00 H new ATOM 0 HB3 CYS A 65 17.346 18.530 3.239 1.00 0.00 H new ATOM 1047 N LEU A 66 16.577 21.368 5.179 1.00 0.00 N ATOM 1048 CA LEU A 66 16.024 22.670 4.709 1.00 0.00 C ATOM 1049 C LEU A 66 17.177 23.598 4.323 1.00 0.00 C ATOM 1050 O LEU A 66 17.142 24.254 3.302 1.00 0.00 O ATOM 1051 CB LEU A 66 15.199 23.309 5.830 1.00 0.00 C ATOM 1052 CG LEU A 66 13.709 23.254 5.471 1.00 0.00 C ATOM 1053 CD1 LEU A 66 13.404 24.297 4.395 1.00 0.00 C ATOM 1054 CD2 LEU A 66 13.356 21.862 4.942 1.00 0.00 C ATOM 0 H LEU A 66 16.140 20.986 6.017 1.00 0.00 H new ATOM 0 HA LEU A 66 15.385 22.506 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.376 22.785 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.509 24.343 5.979 1.00 0.00 H new ATOM 0 HG LEU A 66 13.117 23.464 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.345 24.258 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.650 25.290 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.999 24.088 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.297 21.827 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.949 21.649 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.570 21.117 5.708 1.00 0.00 H new ATOM 1066 N GLY A 67 18.206 23.651 5.127 1.00 0.00 N ATOM 1067 CA GLY A 67 19.363 24.529 4.792 1.00 0.00 C ATOM 1068 C GLY A 67 19.446 25.699 5.782 1.00 0.00 C ATOM 1069 O GLY A 67 20.515 26.040 6.248 1.00 0.00 O ATOM 0 H GLY A 67 18.294 23.126 5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.287 23.952 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.258 24.910 3.776 1.00 0.00 H new ATOM 1073 N ALA A 68 18.334 26.332 6.094 1.00 0.00 N ATOM 1074 CA ALA A 68 18.364 27.490 7.039 1.00 0.00 C ATOM 1075 C ALA A 68 18.775 28.755 6.277 1.00 0.00 C ATOM 1076 O ALA A 68 18.702 29.854 6.791 1.00 0.00 O ATOM 1077 CB ALA A 68 19.363 27.220 8.168 1.00 0.00 C ATOM 0 H ALA A 68 17.410 26.093 5.733 1.00 0.00 H new ATOM 0 HA ALA A 68 17.373 27.628 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.378 28.069 8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 68 19.065 26.323 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 68 20.358 27.076 7.747 1.00 0.00 H new ATOM 1083 N THR A 69 19.194 28.606 5.050 1.00 0.00 N ATOM 1084 CA THR A 69 19.597 29.789 4.238 1.00 0.00 C ATOM 1085 C THR A 69 18.503 30.061 3.200 1.00 0.00 C ATOM 1086 O THR A 69 18.292 29.258 2.320 1.00 0.00 O ATOM 1087 CB THR A 69 20.908 29.475 3.513 1.00 0.00 C ATOM 1088 OG1 THR A 69 21.772 28.762 4.387 1.00 0.00 O ATOM 1089 CG2 THR A 69 21.579 30.779 3.082 1.00 0.00 C ATOM 0 H THR A 69 19.275 27.709 4.572 1.00 0.00 H new ATOM 0 HA THR A 69 19.732 30.659 4.880 1.00 0.00 H new ATOM 0 HB THR A 69 20.700 28.868 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.664 28.698 3.985 1.00 0.00 H new ATOM 0 HG21 THR A 69 22.512 30.555 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.916 31.325 2.411 1.00 0.00 H new ATOM 0 HG23 THR A 69 21.788 31.389 3.961 1.00 0.00 H new ATOM 1097 N ALA A 70 17.797 31.168 3.270 1.00 0.00 N ATOM 1098 CA ALA A 70 16.745 31.410 2.253 1.00 0.00 C ATOM 1099 C ALA A 70 17.339 31.153 0.870 1.00 0.00 C ATOM 1100 O ALA A 70 16.648 30.773 -0.054 1.00 0.00 O ATOM 1101 CB ALA A 70 16.263 32.860 2.345 1.00 0.00 C ATOM 0 H ALA A 70 17.907 31.896 3.976 1.00 0.00 H new ATOM 0 HA ALA A 70 15.899 30.745 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.490 33.035 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.855 33.045 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 70 17.101 33.534 2.166 1.00 0.00 H new ATOM 1107 N GLN A 71 18.621 31.352 0.720 1.00 0.00 N ATOM 1108 CA GLN A 71 19.258 31.109 -0.608 1.00 0.00 C ATOM 1109 C GLN A 71 19.292 29.607 -0.892 1.00 0.00 C ATOM 1110 O GLN A 71 18.883 29.157 -1.943 1.00 0.00 O ATOM 1111 CB GLN A 71 20.685 31.665 -0.601 1.00 0.00 C ATOM 1112 CG GLN A 71 21.259 31.613 -2.019 1.00 0.00 C ATOM 1113 CD GLN A 71 20.455 32.544 -2.928 1.00 0.00 C ATOM 1114 OE1 GLN A 71 20.579 33.749 -2.846 1.00 0.00 O ATOM 1115 NE2 GLN A 71 19.631 32.031 -3.801 1.00 0.00 N ATOM 0 H GLN A 71 19.252 31.671 1.455 1.00 0.00 H new ATOM 0 HA GLN A 71 18.680 31.610 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.685 32.692 -0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 71 21.310 31.084 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 71 22.307 31.912 -2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.222 30.593 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.527 31.019 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.092 32.642 -4.414 1.00 0.00 H new ATOM 1124 N GLN A 72 19.775 28.828 0.035 1.00 0.00 N ATOM 1125 CA GLN A 72 19.828 27.356 -0.184 1.00 0.00 C ATOM 1126 C GLN A 72 18.411 26.835 -0.427 1.00 0.00 C ATOM 1127 O GLN A 72 18.205 25.860 -1.122 1.00 0.00 O ATOM 1128 CB GLN A 72 20.423 26.675 1.051 1.00 0.00 C ATOM 1129 CG GLN A 72 21.803 27.266 1.343 1.00 0.00 C ATOM 1130 CD GLN A 72 22.852 26.566 0.478 1.00 0.00 C ATOM 1131 OE1 GLN A 72 23.219 25.438 0.743 1.00 0.00 O ATOM 1132 NE2 GLN A 72 23.353 27.190 -0.553 1.00 0.00 N ATOM 0 H GLN A 72 20.135 29.147 0.934 1.00 0.00 H new ATOM 0 HA GLN A 72 20.452 27.135 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.766 26.816 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 72 20.503 25.601 0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 72 21.803 28.336 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.047 27.144 2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.045 28.137 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 72 24.053 26.731 -1.136 1.00 0.00 H new ATOM 1141 N PHE A 73 17.434 27.483 0.141 1.00 0.00 N ATOM 1142 CA PHE A 73 16.027 27.040 -0.049 1.00 0.00 C ATOM 1143 C PHE A 73 15.705 27.004 -1.541 1.00 0.00 C ATOM 1144 O PHE A 73 14.981 26.148 -2.002 1.00 0.00 O ATOM 1145 CB PHE A 73 15.084 28.020 0.655 1.00 0.00 C ATOM 1146 CG PHE A 73 13.653 27.669 0.322 1.00 0.00 C ATOM 1147 CD1 PHE A 73 13.137 26.417 0.677 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.841 28.598 -0.342 1.00 0.00 C ATOM 1149 CE1 PHE A 73 11.809 26.094 0.368 1.00 0.00 C ATOM 1150 CE2 PHE A 73 11.515 28.274 -0.649 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.998 27.022 -0.294 1.00 0.00 C ATOM 0 H PHE A 73 17.551 28.306 0.732 1.00 0.00 H new ATOM 0 HA PHE A 73 15.897 26.044 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 73 15.238 27.979 1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 73 15.302 29.041 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.762 25.700 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 73 13.239 29.564 -0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.411 25.128 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.889 28.990 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.974 26.773 -0.531 1.00 0.00 H new ATOM 1161 N HIS A 74 16.233 27.924 -2.300 1.00 0.00 N ATOM 1162 CA HIS A 74 15.943 27.922 -3.761 1.00 0.00 C ATOM 1163 C HIS A 74 16.370 26.595 -4.357 1.00 0.00 C ATOM 1164 O HIS A 74 15.716 26.029 -5.209 1.00 0.00 O ATOM 1165 CB HIS A 74 16.703 29.065 -4.437 1.00 0.00 C ATOM 1166 CG HIS A 74 15.879 29.615 -5.569 1.00 0.00 C ATOM 1167 ND1 HIS A 74 15.507 28.840 -6.656 1.00 0.00 N ATOM 1168 CD2 HIS A 74 15.346 30.859 -5.796 1.00 0.00 C ATOM 1169 CE1 HIS A 74 14.784 29.619 -7.481 1.00 0.00 C ATOM 1170 NE2 HIS A 74 14.656 30.860 -7.004 1.00 0.00 N ATOM 0 H HIS A 74 16.847 28.671 -1.976 1.00 0.00 H new ATOM 0 HA HIS A 74 14.874 28.061 -3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.917 29.852 -3.713 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.662 28.707 -4.812 1.00 0.00 H new ATOM 0 HD2 HIS A 74 15.447 31.708 -5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.359 29.282 -8.415 1.00 0.00 H new ATOM 0 HE2 HIS A 74 14.159 31.641 -7.433 1.00 0.00 H new ATOM 1178 N ARG A 75 17.458 26.105 -3.892 1.00 0.00 N ATOM 1179 CA ARG A 75 17.973 24.797 -4.384 1.00 0.00 C ATOM 1180 C ARG A 75 17.055 23.684 -3.880 1.00 0.00 C ATOM 1181 O ARG A 75 16.893 22.658 -4.511 1.00 0.00 O ATOM 1182 CB ARG A 75 19.390 24.572 -3.853 1.00 0.00 C ATOM 1183 CG ARG A 75 20.156 23.655 -4.809 1.00 0.00 C ATOM 1184 CD ARG A 75 21.574 24.192 -5.008 1.00 0.00 C ATOM 1185 NE ARG A 75 22.523 23.053 -5.148 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.811 23.263 -5.088 1.00 0.00 C ATOM 1187 NH1 ARG A 75 24.425 23.217 -3.937 1.00 0.00 N ATOM 1188 NH2 ARG A 75 24.482 23.520 -6.178 1.00 0.00 N ATOM 0 H ARG A 75 18.034 26.552 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 75 17.995 24.794 -5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.908 25.526 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.350 24.127 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.193 22.643 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.640 23.599 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.614 24.823 -5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.860 24.815 -4.161 1.00 0.00 H new ATOM 0 HE ARG A 75 22.167 22.108 -5.291 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.899 23.017 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 75 25.431 23.381 -3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 75 24.001 23.557 -7.076 1.00 0.00 H new ATOM 0 HH22 ARG A 75 25.488 23.684 -6.131 1.00 0.00 H new ATOM 1202 N HIS A 76 16.449 23.888 -2.742 1.00 0.00 N ATOM 1203 CA HIS A 76 15.532 22.859 -2.177 1.00 0.00 C ATOM 1204 C HIS A 76 14.299 22.725 -3.075 1.00 0.00 C ATOM 1205 O HIS A 76 13.914 21.638 -3.459 1.00 0.00 O ATOM 1206 CB HIS A 76 15.112 23.294 -0.770 1.00 0.00 C ATOM 1207 CG HIS A 76 13.982 22.437 -0.272 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.912 21.076 -0.524 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.876 22.737 0.482 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.795 20.613 0.073 1.00 0.00 C ATOM 1211 NE2 HIS A 76 12.128 21.585 0.698 1.00 0.00 N ATOM 0 H HIS A 76 16.551 24.730 -2.176 1.00 0.00 H new ATOM 0 HA HIS A 76 16.036 21.894 -2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.961 23.218 -0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.806 24.340 -0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.624 23.720 0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.479 19.581 0.048 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.257 21.501 1.222 1.00 0.00 H new ATOM 1219 N LYS A 77 13.673 23.822 -3.407 1.00 0.00 N ATOM 1220 CA LYS A 77 12.464 23.761 -4.275 1.00 0.00 C ATOM 1221 C LYS A 77 12.852 23.373 -5.707 1.00 0.00 C ATOM 1222 O LYS A 77 12.077 22.776 -6.424 1.00 0.00 O ATOM 1223 CB LYS A 77 11.779 25.129 -4.290 1.00 0.00 C ATOM 1224 CG LYS A 77 11.465 25.558 -2.855 1.00 0.00 C ATOM 1225 CD LYS A 77 9.958 25.460 -2.610 1.00 0.00 C ATOM 1226 CE LYS A 77 9.317 26.835 -2.810 1.00 0.00 C ATOM 1227 NZ LYS A 77 8.396 26.790 -3.981 1.00 0.00 N ATOM 0 H LYS A 77 13.948 24.759 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 77 11.783 23.008 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.425 25.866 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.861 25.082 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.001 24.923 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.806 26.580 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.514 24.737 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.766 25.101 -1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.769 27.126 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.089 27.588 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.961 27.725 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.931 26.531 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.652 26.083 -3.811 1.00 0.00 H new ATOM 1241 N GLN A 78 14.036 23.720 -6.139 1.00 0.00 N ATOM 1242 CA GLN A 78 14.451 23.383 -7.532 1.00 0.00 C ATOM 1243 C GLN A 78 14.643 21.871 -7.688 1.00 0.00 C ATOM 1244 O GLN A 78 14.190 21.277 -8.645 1.00 0.00 O ATOM 1245 CB GLN A 78 15.767 24.094 -7.853 1.00 0.00 C ATOM 1246 CG GLN A 78 16.186 23.765 -9.289 1.00 0.00 C ATOM 1247 CD GLN A 78 17.685 23.463 -9.328 1.00 0.00 C ATOM 1248 OE1 GLN A 78 18.487 24.249 -8.867 1.00 0.00 O ATOM 1249 NE2 GLN A 78 18.101 22.348 -9.865 1.00 0.00 N ATOM 0 H GLN A 78 14.733 24.222 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 78 13.670 23.710 -8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.649 25.171 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.543 23.779 -7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.622 22.907 -9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.956 24.603 -9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.428 21.687 -10.253 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.099 22.138 -9.897 1.00 0.00 H new ATOM 1258 N LEU A 79 15.320 21.244 -6.766 1.00 0.00 N ATOM 1259 CA LEU A 79 15.558 19.803 -6.852 1.00 0.00 C ATOM 1260 C LEU A 79 14.260 19.054 -6.617 1.00 0.00 C ATOM 1261 O LEU A 79 13.918 18.181 -7.366 1.00 0.00 O ATOM 1262 CB LEU A 79 16.570 19.464 -5.776 1.00 0.00 C ATOM 1263 CG LEU A 79 17.889 19.082 -6.429 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.915 18.733 -5.349 1.00 0.00 C ATOM 1265 CD2 LEU A 79 17.678 17.878 -7.348 1.00 0.00 C ATOM 0 H LEU A 79 15.722 21.694 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 79 15.931 19.518 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.713 20.317 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.203 18.641 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 79 18.257 19.923 -7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.860 18.460 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 79 19.069 19.596 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.549 17.895 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.625 17.606 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.306 17.036 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 79 16.953 18.133 -8.121 1.00 0.00 H new ATOM 1277 N ILE A 80 13.535 19.385 -5.588 1.00 0.00 N ATOM 1278 CA ILE A 80 12.245 18.682 -5.335 1.00 0.00 C ATOM 1279 C ILE A 80 11.291 18.961 -6.502 1.00 0.00 C ATOM 1280 O ILE A 80 10.453 18.148 -6.833 1.00 0.00 O ATOM 1281 CB ILE A 80 11.642 19.195 -4.025 1.00 0.00 C ATOM 1282 CG1 ILE A 80 12.343 18.480 -2.858 1.00 0.00 C ATOM 1283 CG2 ILE A 80 10.131 18.913 -3.996 1.00 0.00 C ATOM 1284 CD1 ILE A 80 11.419 18.402 -1.642 1.00 0.00 C ATOM 0 H ILE A 80 13.777 20.109 -4.912 1.00 0.00 H new ATOM 0 HA ILE A 80 12.409 17.608 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 80 11.788 20.272 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.637 17.476 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 80 13.256 19.013 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.710 19.281 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.650 19.418 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.960 17.839 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.933 17.893 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.147 19.409 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.518 17.848 -1.905 1.00 0.00 H new ATOM 1296 N ARG A 81 11.416 20.097 -7.137 1.00 0.00 N ATOM 1297 CA ARG A 81 10.518 20.398 -8.287 1.00 0.00 C ATOM 1298 C ARG A 81 10.858 19.424 -9.401 1.00 0.00 C ATOM 1299 O ARG A 81 10.009 18.740 -9.938 1.00 0.00 O ATOM 1300 CB ARG A 81 10.762 21.826 -8.775 1.00 0.00 C ATOM 1301 CG ARG A 81 9.720 22.187 -9.835 1.00 0.00 C ATOM 1302 CD ARG A 81 9.413 23.685 -9.760 1.00 0.00 C ATOM 1303 NE ARG A 81 8.867 24.144 -11.069 1.00 0.00 N ATOM 1304 CZ ARG A 81 7.603 24.446 -11.177 1.00 0.00 C ATOM 1305 NH1 ARG A 81 6.691 23.568 -10.857 1.00 0.00 N ATOM 1306 NH2 ARG A 81 7.249 25.627 -11.603 1.00 0.00 N ATOM 0 H ARG A 81 12.096 20.823 -6.910 1.00 0.00 H new ATOM 0 HA ARG A 81 9.474 20.302 -7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.702 22.523 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.766 21.913 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.091 21.930 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.809 21.610 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.694 23.881 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.318 24.241 -9.516 1.00 0.00 H new ATOM 0 HE ARG A 81 9.481 24.222 -11.879 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.967 22.645 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.703 23.805 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.961 26.314 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.260 25.863 -11.688 1.00 0.00 H new ATOM 1320 N PHE A 82 12.115 19.332 -9.720 1.00 0.00 N ATOM 1321 CA PHE A 82 12.561 18.390 -10.751 1.00 0.00 C ATOM 1322 C PHE A 82 12.310 16.977 -10.224 1.00 0.00 C ATOM 1323 O PHE A 82 12.077 16.054 -10.977 1.00 0.00 O ATOM 1324 CB PHE A 82 14.045 18.639 -11.014 1.00 0.00 C ATOM 1325 CG PHE A 82 14.197 19.598 -12.170 1.00 0.00 C ATOM 1326 CD1 PHE A 82 13.917 20.958 -11.993 1.00 0.00 C ATOM 1327 CD2 PHE A 82 14.618 19.126 -13.420 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.056 21.847 -13.066 1.00 0.00 C ATOM 1329 CE2 PHE A 82 14.758 20.015 -14.492 1.00 0.00 C ATOM 1330 CZ PHE A 82 14.478 21.375 -14.316 1.00 0.00 C ATOM 0 H PHE A 82 12.859 19.885 -9.295 1.00 0.00 H new ATOM 0 HA PHE A 82 12.022 18.517 -11.690 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.520 19.049 -10.123 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.548 17.699 -11.239 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.594 21.322 -11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.834 18.077 -13.556 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.838 22.896 -12.930 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.082 19.651 -15.456 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.587 22.060 -15.143 1.00 0.00 H new ATOM 1340 N LEU A 83 12.335 16.808 -8.922 1.00 0.00 N ATOM 1341 CA LEU A 83 12.071 15.474 -8.334 1.00 0.00 C ATOM 1342 C LEU A 83 10.634 15.087 -8.641 1.00 0.00 C ATOM 1343 O LEU A 83 10.310 13.938 -8.865 1.00 0.00 O ATOM 1344 CB LEU A 83 12.282 15.576 -6.826 1.00 0.00 C ATOM 1345 CG LEU A 83 13.760 15.369 -6.498 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.933 15.261 -4.982 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.273 14.081 -7.148 1.00 0.00 C ATOM 0 H LEU A 83 12.529 17.547 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 83 12.739 14.718 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.953 16.552 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.677 14.828 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 83 14.327 16.217 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.987 15.113 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.580 16.178 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.356 14.415 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.327 13.946 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.703 13.232 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.155 14.147 -8.230 1.00 0.00 H new ATOM 1359 N LYS A 84 9.780 16.059 -8.671 1.00 0.00 N ATOM 1360 CA LYS A 84 8.349 15.805 -8.984 1.00 0.00 C ATOM 1361 C LYS A 84 8.236 15.444 -10.462 1.00 0.00 C ATOM 1362 O LYS A 84 7.639 14.450 -10.820 1.00 0.00 O ATOM 1363 CB LYS A 84 7.524 17.062 -8.697 1.00 0.00 C ATOM 1364 CG LYS A 84 6.062 16.806 -9.069 1.00 0.00 C ATOM 1365 CD LYS A 84 5.300 18.132 -9.092 1.00 0.00 C ATOM 1366 CE LYS A 84 3.895 17.903 -9.656 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.248 16.774 -8.931 1.00 0.00 N ATOM 0 H LYS A 84 10.012 17.036 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 84 7.972 14.989 -8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.601 17.328 -7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.914 17.905 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.003 16.324 -10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.607 16.125 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.237 18.545 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.834 18.860 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.297 18.808 -9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.951 17.681 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.222 16.797 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.635 15.872 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.435 16.863 -7.912 1.00 0.00 H new ATOM 1381 N ARG A 85 8.821 16.232 -11.327 1.00 0.00 N ATOM 1382 CA ARG A 85 8.749 15.895 -12.772 1.00 0.00 C ATOM 1383 C ARG A 85 9.274 14.481 -12.940 1.00 0.00 C ATOM 1384 O ARG A 85 8.849 13.729 -13.793 1.00 0.00 O ATOM 1385 CB ARG A 85 9.605 16.872 -13.581 1.00 0.00 C ATOM 1386 CG ARG A 85 9.047 18.288 -13.431 1.00 0.00 C ATOM 1387 CD ARG A 85 10.112 19.304 -13.850 1.00 0.00 C ATOM 1388 NE ARG A 85 9.485 20.360 -14.696 1.00 0.00 N ATOM 1389 CZ ARG A 85 8.756 21.290 -14.145 1.00 0.00 C ATOM 1390 NH1 ARG A 85 9.269 22.062 -13.225 1.00 0.00 N ATOM 1391 NH2 ARG A 85 7.515 21.452 -14.514 1.00 0.00 N ATOM 0 H ARG A 85 9.337 17.081 -11.096 1.00 0.00 H new ATOM 0 HA ARG A 85 7.722 15.966 -13.131 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.638 16.839 -13.235 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.611 16.582 -14.632 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.155 18.406 -14.046 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.747 18.465 -12.398 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.569 19.753 -12.968 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.908 18.805 -14.403 1.00 0.00 H new ATOM 0 HE ARG A 85 9.627 20.355 -15.706 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.240 21.937 -12.938 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.699 22.790 -12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.114 20.851 -15.234 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.945 22.180 -14.082 1.00 0.00 H new ATOM 1405 N LEU A 86 10.199 14.125 -12.105 1.00 0.00 N ATOM 1406 CA LEU A 86 10.785 12.758 -12.158 1.00 0.00 C ATOM 1407 C LEU A 86 9.748 11.730 -11.684 1.00 0.00 C ATOM 1408 O LEU A 86 9.639 10.656 -12.234 1.00 0.00 O ATOM 1409 CB LEU A 86 12.023 12.703 -11.253 1.00 0.00 C ATOM 1410 CG LEU A 86 12.836 11.432 -11.541 1.00 0.00 C ATOM 1411 CD1 LEU A 86 12.984 11.240 -13.052 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.225 11.568 -10.917 1.00 0.00 C ATOM 0 H LEU A 86 10.582 14.728 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 86 11.073 12.524 -13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.642 13.585 -11.418 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.718 12.719 -10.207 1.00 0.00 H new ATOM 0 HG LEU A 86 12.319 10.572 -11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.562 10.337 -13.249 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.997 11.146 -13.505 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.499 12.100 -13.479 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.805 10.667 -11.120 1.00 0.00 H new ATOM 0 HD22 LEU A 86 14.734 12.431 -11.346 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.128 11.703 -9.840 1.00 0.00 H new ATOM 1424 N ASP A 87 8.987 12.041 -10.661 1.00 0.00 N ATOM 1425 CA ASP A 87 7.976 11.066 -10.165 1.00 0.00 C ATOM 1426 C ASP A 87 6.895 10.821 -11.226 1.00 0.00 C ATOM 1427 O ASP A 87 6.499 9.700 -11.473 1.00 0.00 O ATOM 1428 CB ASP A 87 7.324 11.630 -8.902 1.00 0.00 C ATOM 1429 CG ASP A 87 6.300 10.627 -8.364 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.513 9.439 -8.542 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.321 11.065 -7.783 1.00 0.00 O ATOM 0 H ASP A 87 9.025 12.925 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 87 8.471 10.120 -9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.084 11.831 -8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.837 12.579 -9.124 1.00 0.00 H new ATOM 1436 N ARG A 88 6.400 11.861 -11.839 1.00 0.00 N ATOM 1437 CA ARG A 88 5.327 11.693 -12.864 1.00 0.00 C ATOM 1438 C ARG A 88 5.878 11.030 -14.135 1.00 0.00 C ATOM 1439 O ARG A 88 5.253 10.166 -14.716 1.00 0.00 O ATOM 1440 CB ARG A 88 4.760 13.067 -13.223 1.00 0.00 C ATOM 1441 CG ARG A 88 3.284 12.928 -13.598 1.00 0.00 C ATOM 1442 CD ARG A 88 2.816 14.197 -14.310 1.00 0.00 C ATOM 1443 NE ARG A 88 1.664 14.786 -13.571 1.00 0.00 N ATOM 1444 CZ ARG A 88 1.443 16.070 -13.623 1.00 0.00 C ATOM 1445 NH1 ARG A 88 2.433 16.908 -13.482 1.00 0.00 N ATOM 1446 NH2 ARG A 88 0.232 16.516 -13.817 1.00 0.00 N ATOM 0 H ARG A 88 6.693 12.824 -11.675 1.00 0.00 H new ATOM 0 HA ARG A 88 4.548 11.054 -12.449 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.869 13.749 -12.380 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.319 13.497 -14.055 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.142 12.062 -14.245 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.685 12.759 -12.703 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.632 14.917 -14.366 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.524 13.965 -15.334 1.00 0.00 H new ATOM 0 HE ARG A 88 1.048 14.184 -13.024 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.379 16.559 -13.331 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.261 17.913 -13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.541 15.860 -13.928 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.059 17.520 -13.858 1.00 0.00 H new ATOM 1460 N ASN A 89 7.027 11.452 -14.588 1.00 0.00 N ATOM 1461 CA ASN A 89 7.604 10.873 -15.843 1.00 0.00 C ATOM 1462 C ASN A 89 8.065 9.428 -15.630 1.00 0.00 C ATOM 1463 O ASN A 89 8.031 8.626 -16.540 1.00 0.00 O ATOM 1464 CB ASN A 89 8.794 11.725 -16.294 1.00 0.00 C ATOM 1465 CG ASN A 89 8.403 13.202 -16.267 1.00 0.00 C ATOM 1466 OD1 ASN A 89 9.250 14.065 -16.146 1.00 0.00 O ATOM 1467 ND2 ASN A 89 7.144 13.533 -16.375 1.00 0.00 N ATOM 0 H ASN A 89 7.595 12.174 -14.145 1.00 0.00 H new ATOM 0 HA ASN A 89 6.828 10.874 -16.608 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.648 11.552 -15.639 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.100 11.437 -17.300 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.872 14.516 -16.358 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.433 12.809 -16.477 1.00 0.00 H new ATOM 1474 N LEU A 90 8.508 9.085 -14.455 1.00 0.00 N ATOM 1475 CA LEU A 90 8.971 7.687 -14.228 1.00 0.00 C ATOM 1476 C LEU A 90 7.852 6.717 -14.616 1.00 0.00 C ATOM 1477 O LEU A 90 8.079 5.734 -15.293 1.00 0.00 O ATOM 1478 CB LEU A 90 9.319 7.483 -12.750 1.00 0.00 C ATOM 1479 CG LEU A 90 10.841 7.404 -12.530 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.524 6.663 -13.680 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.411 8.816 -12.427 1.00 0.00 C ATOM 0 H LEU A 90 8.570 9.705 -13.647 1.00 0.00 H new ATOM 0 HA LEU A 90 9.857 7.501 -14.836 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.908 8.304 -12.163 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.851 6.567 -12.389 1.00 0.00 H new ATOM 0 HG LEU A 90 11.029 6.855 -11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.598 6.622 -13.499 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.128 5.650 -13.746 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.334 7.189 -14.616 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.488 8.763 -12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.204 9.360 -13.349 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.948 9.335 -11.588 1.00 0.00 H new ATOM 1493 N TRP A 91 6.646 6.987 -14.198 1.00 0.00 N ATOM 1494 CA TRP A 91 5.519 6.090 -14.543 1.00 0.00 C ATOM 1495 C TRP A 91 5.544 5.824 -16.050 1.00 0.00 C ATOM 1496 O TRP A 91 5.237 4.741 -16.504 1.00 0.00 O ATOM 1497 CB TRP A 91 4.207 6.762 -14.129 1.00 0.00 C ATOM 1498 CG TRP A 91 4.131 6.820 -12.645 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.044 7.956 -11.931 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.130 5.725 -11.684 1.00 0.00 C ATOM 1501 NE1 TRP A 91 3.997 7.638 -10.585 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.044 6.272 -10.382 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.194 4.325 -11.813 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.027 5.460 -9.248 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.176 3.505 -10.672 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.092 4.072 -9.393 1.00 0.00 C ATOM 0 H TRP A 91 6.396 7.796 -13.629 1.00 0.00 H new ATOM 0 HA TRP A 91 5.606 5.139 -14.017 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.152 7.767 -14.547 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.359 6.205 -14.527 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.015 8.955 -12.341 1.00 0.00 H new ATOM 0 HE1 TRP A 91 3.935 8.327 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.257 3.878 -12.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.964 5.901 -8.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.227 2.432 -10.781 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.078 3.436 -8.520 1.00 0.00 H new ATOM 1517 N GLY A 92 5.935 6.799 -16.831 1.00 0.00 N ATOM 1518 CA GLY A 92 6.008 6.587 -18.303 1.00 0.00 C ATOM 1519 C GLY A 92 7.173 5.644 -18.612 1.00 0.00 C ATOM 1520 O GLY A 92 7.061 4.730 -19.406 1.00 0.00 O ATOM 0 H GLY A 92 6.206 7.729 -16.511 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.073 6.163 -18.669 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.148 7.539 -18.814 1.00 0.00 H new ATOM 1524 N LEU A 93 8.296 5.874 -17.987 1.00 0.00 N ATOM 1525 CA LEU A 93 9.491 5.026 -18.221 1.00 0.00 C ATOM 1526 C LEU A 93 9.160 3.545 -17.969 1.00 0.00 C ATOM 1527 O LEU A 93 9.604 2.678 -18.695 1.00 0.00 O ATOM 1528 CB LEU A 93 10.594 5.493 -17.270 1.00 0.00 C ATOM 1529 CG LEU A 93 11.984 5.167 -17.834 1.00 0.00 C ATOM 1530 CD1 LEU A 93 11.947 3.929 -18.740 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.500 6.371 -18.622 1.00 0.00 C ATOM 0 H LEU A 93 8.434 6.628 -17.314 1.00 0.00 H new ATOM 0 HA LEU A 93 9.819 5.120 -19.256 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.507 6.567 -17.107 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.470 5.012 -16.300 1.00 0.00 H new ATOM 0 HG LEU A 93 12.652 4.949 -17.001 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.948 3.727 -19.122 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.597 3.070 -18.168 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.270 4.109 -19.575 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.487 6.146 -19.025 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.815 6.591 -19.441 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.566 7.236 -17.962 1.00 0.00 H new ATOM 1543 N ALA A 94 8.390 3.241 -16.956 1.00 0.00 N ATOM 1544 CA ALA A 94 8.050 1.815 -16.684 1.00 0.00 C ATOM 1545 C ALA A 94 6.823 1.411 -17.503 1.00 0.00 C ATOM 1546 O ALA A 94 6.896 0.568 -18.375 1.00 0.00 O ATOM 1547 CB ALA A 94 7.749 1.637 -15.194 1.00 0.00 C ATOM 0 H ALA A 94 7.984 3.917 -16.309 1.00 0.00 H new ATOM 0 HA ALA A 94 8.894 1.184 -16.964 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.500 0.595 -14.995 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.625 1.919 -14.610 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.907 2.270 -14.915 1.00 0.00 H new ATOM 1553 N GLY A 95 5.693 2.006 -17.231 1.00 0.00 N ATOM 1554 CA GLY A 95 4.465 1.654 -17.998 1.00 0.00 C ATOM 1555 C GLY A 95 3.432 1.015 -17.063 1.00 0.00 C ATOM 1556 O GLY A 95 2.246 1.043 -17.326 1.00 0.00 O ATOM 0 H GLY A 95 5.568 2.719 -16.512 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.046 2.548 -18.461 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.714 0.964 -18.804 1.00 0.00 H new ATOM 1560 N LEU A 96 3.870 0.438 -15.977 1.00 0.00 N ATOM 1561 CA LEU A 96 2.915 -0.199 -15.034 1.00 0.00 C ATOM 1562 C LEU A 96 2.843 0.633 -13.752 1.00 0.00 C ATOM 1563 O LEU A 96 3.667 1.493 -13.511 1.00 0.00 O ATOM 1564 CB LEU A 96 3.405 -1.604 -14.694 1.00 0.00 C ATOM 1565 CG LEU A 96 2.207 -2.516 -14.422 1.00 0.00 C ATOM 1566 CD1 LEU A 96 1.421 -2.723 -15.720 1.00 0.00 C ATOM 1567 CD2 LEU A 96 2.702 -3.867 -13.905 1.00 0.00 C ATOM 0 H LEU A 96 4.851 0.382 -15.704 1.00 0.00 H new ATOM 0 HA LEU A 96 1.928 -0.255 -15.493 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.998 -2.002 -15.518 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.055 -1.571 -13.820 1.00 0.00 H new ATOM 0 HG LEU A 96 1.561 -2.056 -13.674 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.567 -3.373 -15.529 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.069 -1.760 -16.090 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.067 -3.184 -16.467 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.849 -4.517 -13.711 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.347 -4.328 -14.653 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.263 -3.720 -12.982 1.00 0.00 H new ATOM 1579 N ASN A 97 1.861 0.388 -12.927 1.00 0.00 N ATOM 1580 CA ASN A 97 1.735 1.165 -11.664 1.00 0.00 C ATOM 1581 C ASN A 97 1.133 0.279 -10.572 1.00 0.00 C ATOM 1582 O ASN A 97 0.155 0.631 -9.942 1.00 0.00 O ATOM 1583 CB ASN A 97 0.822 2.368 -11.903 1.00 0.00 C ATOM 1584 CG ASN A 97 1.339 3.566 -11.104 1.00 0.00 C ATOM 1585 OD1 ASN A 97 1.618 3.451 -9.927 1.00 0.00 O ATOM 1586 ND2 ASN A 97 1.478 4.720 -11.697 1.00 0.00 N ATOM 0 H ASN A 97 1.140 -0.318 -13.075 1.00 0.00 H new ATOM 0 HA ASN A 97 2.720 1.507 -11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.793 2.611 -12.965 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.198 2.129 -11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.821 5.525 -11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.244 4.817 -12.685 1.00 0.00 H new ATOM 1593 N SER A 98 1.707 -0.871 -10.342 1.00 0.00 N ATOM 1594 CA SER A 98 1.166 -1.777 -9.290 1.00 0.00 C ATOM 1595 C SER A 98 2.252 -2.769 -8.864 1.00 0.00 C ATOM 1596 O SER A 98 2.159 -3.953 -9.120 1.00 0.00 O ATOM 1597 CB SER A 98 -0.035 -2.547 -9.848 1.00 0.00 C ATOM 1598 OG SER A 98 -0.358 -3.617 -8.975 1.00 0.00 O ATOM 0 H SER A 98 2.527 -1.222 -10.837 1.00 0.00 H new ATOM 0 HA SER A 98 0.853 -1.187 -8.429 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.890 -1.880 -9.955 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.196 -2.931 -10.842 1.00 0.00 H new ATOM 0 HG SER A 98 0.425 -4.195 -8.862 1.00 0.00 H new ATOM 1604 N CYS A 99 3.284 -2.296 -8.218 1.00 0.00 N ATOM 1605 CA CYS A 99 4.374 -3.217 -7.783 1.00 0.00 C ATOM 1606 C CYS A 99 4.580 -3.101 -6.269 1.00 0.00 C ATOM 1607 O CYS A 99 5.622 -2.663 -5.820 1.00 0.00 O ATOM 1608 CB CYS A 99 5.674 -2.835 -8.498 1.00 0.00 C ATOM 1609 SG CYS A 99 5.307 -2.327 -10.196 1.00 0.00 S ATOM 0 H CYS A 99 3.419 -1.315 -7.973 1.00 0.00 H new ATOM 0 HA CYS A 99 4.100 -4.242 -8.033 1.00 0.00 H new ATOM 0 HB2 CYS A 99 6.170 -2.024 -7.964 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.361 -3.681 -8.501 1.00 0.00 H new ATOM 1614 N PRO A 100 3.583 -3.505 -5.524 1.00 0.00 N ATOM 1615 CA PRO A 100 3.616 -3.472 -4.027 1.00 0.00 C ATOM 1616 C PRO A 100 4.494 -4.605 -3.484 1.00 0.00 C ATOM 1617 O PRO A 100 4.888 -5.498 -4.207 1.00 0.00 O ATOM 1618 CB PRO A 100 2.159 -3.685 -3.641 1.00 0.00 C ATOM 1619 CG PRO A 100 1.494 -4.399 -4.810 1.00 0.00 C ATOM 1620 CD PRO A 100 2.294 -4.048 -6.067 1.00 0.00 C ATOM 0 HA PRO A 100 4.033 -2.548 -3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.083 -4.280 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.669 -2.732 -3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.485 -5.477 -4.648 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.456 -4.083 -4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.460 -4.924 -6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.775 -3.311 -6.680 1.00 0.00 H new ATOM 1628 N VAL A 101 4.806 -4.571 -2.217 1.00 0.00 N ATOM 1629 CA VAL A 101 5.658 -5.642 -1.628 1.00 0.00 C ATOM 1630 C VAL A 101 7.051 -5.591 -2.256 1.00 0.00 C ATOM 1631 O VAL A 101 7.412 -6.424 -3.062 1.00 0.00 O ATOM 1632 CB VAL A 101 5.024 -7.009 -1.903 1.00 0.00 C ATOM 1633 CG1 VAL A 101 5.841 -8.098 -1.207 1.00 0.00 C ATOM 1634 CG2 VAL A 101 3.592 -7.024 -1.365 1.00 0.00 C ATOM 0 H VAL A 101 4.507 -3.847 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 101 5.739 -5.489 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 101 5.011 -7.195 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.391 -9.071 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.862 -8.087 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.854 -7.913 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.140 -7.996 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.605 -6.839 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.009 -6.247 -1.860 1.00 0.00 H new ATOM 1644 N LYS A 102 7.841 -4.618 -1.888 1.00 0.00 N ATOM 1645 CA LYS A 102 9.212 -4.512 -2.460 1.00 0.00 C ATOM 1646 C LYS A 102 10.011 -3.477 -1.672 1.00 0.00 C ATOM 1647 O LYS A 102 10.239 -2.372 -2.125 1.00 0.00 O ATOM 1648 CB LYS A 102 9.128 -4.089 -3.926 1.00 0.00 C ATOM 1649 CG LYS A 102 8.959 -5.329 -4.807 1.00 0.00 C ATOM 1650 CD LYS A 102 9.564 -5.064 -6.186 1.00 0.00 C ATOM 1651 CE LYS A 102 8.799 -5.864 -7.241 1.00 0.00 C ATOM 1652 NZ LYS A 102 9.167 -7.304 -7.137 1.00 0.00 N ATOM 0 H LYS A 102 7.595 -3.892 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 102 9.708 -5.481 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.288 -3.409 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.030 -3.547 -4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.447 -6.186 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.902 -5.578 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.517 -4.000 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.617 -5.346 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.725 -5.741 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.033 -5.489 -8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.647 -7.848 -7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.189 -7.413 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.922 -7.657 -6.190 1.00 0.00 H new ATOM 1666 N GLU A 103 10.438 -3.831 -0.495 1.00 0.00 N ATOM 1667 CA GLU A 103 11.226 -2.877 0.335 1.00 0.00 C ATOM 1668 C GLU A 103 11.430 -3.467 1.733 1.00 0.00 C ATOM 1669 O GLU A 103 10.492 -3.884 2.383 1.00 0.00 O ATOM 1670 CB GLU A 103 10.469 -1.551 0.444 1.00 0.00 C ATOM 1671 CG GLU A 103 11.106 -0.685 1.534 1.00 0.00 C ATOM 1672 CD GLU A 103 10.499 -1.046 2.892 1.00 0.00 C ATOM 1673 OE1 GLU A 103 9.315 -1.338 2.930 1.00 0.00 O ATOM 1674 OE2 GLU A 103 11.228 -1.022 3.870 1.00 0.00 O ATOM 0 H GLU A 103 10.275 -4.743 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 103 12.196 -2.703 -0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.493 -1.027 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.421 -1.737 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.185 -0.840 1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.940 0.370 1.318 1.00 0.00 H new ATOM 1681 N ALA A 104 12.647 -3.505 2.198 1.00 0.00 N ATOM 1682 CA ALA A 104 12.908 -4.069 3.553 1.00 0.00 C ATOM 1683 C ALA A 104 13.734 -3.072 4.370 1.00 0.00 C ATOM 1684 O ALA A 104 13.263 -2.510 5.340 1.00 0.00 O ATOM 1685 CB ALA A 104 13.683 -5.381 3.419 1.00 0.00 C ATOM 0 H ALA A 104 13.472 -3.171 1.700 1.00 0.00 H new ATOM 0 HA ALA A 104 11.960 -4.256 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.874 -5.794 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.097 -6.092 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.631 -5.194 2.915 1.00 0.00 H new ATOM 1691 N ASN A 105 14.961 -2.848 3.987 1.00 0.00 N ATOM 1692 CA ASN A 105 15.813 -1.889 4.744 1.00 0.00 C ATOM 1693 C ASN A 105 15.628 -0.481 4.172 1.00 0.00 C ATOM 1694 O ASN A 105 14.743 -0.234 3.379 1.00 0.00 O ATOM 1695 CB ASN A 105 17.282 -2.301 4.615 1.00 0.00 C ATOM 1696 CG ASN A 105 17.455 -3.735 5.118 1.00 0.00 C ATOM 1697 OD1 ASN A 105 17.196 -4.023 6.269 1.00 0.00 O ATOM 1698 ND2 ASN A 105 17.884 -4.654 4.296 1.00 0.00 N ATOM 0 H ASN A 105 15.410 -3.287 3.183 1.00 0.00 H new ATOM 0 HA ASN A 105 15.523 -1.896 5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.601 -2.228 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.913 -1.624 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.002 -5.614 4.621 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.102 -4.412 3.329 1.00 0.00 H new ATOM 1705 N GLN A 106 16.459 0.445 4.571 1.00 0.00 N ATOM 1706 CA GLN A 106 16.330 1.835 4.051 1.00 0.00 C ATOM 1707 C GLN A 106 17.660 2.268 3.428 1.00 0.00 C ATOM 1708 O GLN A 106 18.663 1.595 3.554 1.00 0.00 O ATOM 1709 CB GLN A 106 15.974 2.778 5.201 1.00 0.00 C ATOM 1710 CG GLN A 106 14.879 2.143 6.060 1.00 0.00 C ATOM 1711 CD GLN A 106 14.450 3.124 7.152 1.00 0.00 C ATOM 1712 OE1 GLN A 106 13.279 3.407 7.307 1.00 0.00 O ATOM 1713 NE2 GLN A 106 15.359 3.662 7.921 1.00 0.00 N ATOM 0 H GLN A 106 17.220 0.298 5.234 1.00 0.00 H new ATOM 0 HA GLN A 106 15.545 1.872 3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.857 2.978 5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.633 3.736 4.808 1.00 0.00 H new ATOM 0 HG2 GLN A 106 14.023 1.878 5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 106 15.245 1.220 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 106 16.342 3.425 7.791 1.00 0.00 H new ATOM 0 HE22 GLN A 106 15.085 4.319 8.651 1.00 0.00 H new ATOM 1722 N SER A 107 17.675 3.387 2.758 1.00 0.00 N ATOM 1723 CA SER A 107 18.940 3.862 2.131 1.00 0.00 C ATOM 1724 C SER A 107 18.964 5.392 2.149 1.00 0.00 C ATOM 1725 O SER A 107 18.080 6.026 2.688 1.00 0.00 O ATOM 1726 CB SER A 107 19.010 3.361 0.686 1.00 0.00 C ATOM 1727 OG SER A 107 20.343 3.470 0.211 1.00 0.00 O ATOM 0 H SER A 107 16.866 3.993 2.618 1.00 0.00 H new ATOM 0 HA SER A 107 19.796 3.478 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 107 18.677 2.324 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.339 3.944 0.055 1.00 0.00 H new ATOM 0 HG SER A 107 20.908 2.812 0.668 1.00 0.00 H new ATOM 1733 N THR A 108 19.967 5.992 1.571 1.00 0.00 N ATOM 1734 CA THR A 108 20.035 7.479 1.566 1.00 0.00 C ATOM 1735 C THR A 108 19.709 8.002 0.166 1.00 0.00 C ATOM 1736 O THR A 108 19.979 7.357 -0.824 1.00 0.00 O ATOM 1737 CB THR A 108 21.446 7.926 1.958 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.398 7.084 1.323 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.610 7.833 3.475 1.00 0.00 C ATOM 0 H THR A 108 20.740 5.518 1.103 1.00 0.00 H new ATOM 0 HA THR A 108 19.314 7.876 2.280 1.00 0.00 H new ATOM 0 HB THR A 108 21.603 8.957 1.642 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.303 7.368 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.615 8.151 3.753 1.00 0.00 H new ATOM 0 HG22 THR A 108 20.878 8.478 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.454 6.803 3.795 1.00 0.00 H new ATOM 1747 N LEU A 109 19.139 9.174 0.077 1.00 0.00 N ATOM 1748 CA LEU A 109 18.811 9.741 -1.264 1.00 0.00 C ATOM 1749 C LEU A 109 20.054 9.651 -2.143 1.00 0.00 C ATOM 1750 O LEU A 109 19.980 9.281 -3.293 1.00 0.00 O ATOM 1751 CB LEU A 109 18.382 11.206 -1.107 1.00 0.00 C ATOM 1752 CG LEU A 109 17.661 11.685 -2.371 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.572 11.507 -3.582 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.383 10.872 -2.574 1.00 0.00 C ATOM 0 H LEU A 109 18.887 9.762 0.872 1.00 0.00 H new ATOM 0 HA LEU A 109 17.994 9.183 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.725 11.309 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.256 11.830 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 109 17.407 12.739 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 109 18.056 11.849 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.482 12.091 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.830 10.454 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 109 15.873 11.215 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.636 9.817 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.728 11.003 -1.713 1.00 0.00 H new ATOM 1766 N GLU A 110 21.202 9.964 -1.612 1.00 0.00 N ATOM 1767 CA GLU A 110 22.432 9.864 -2.437 1.00 0.00 C ATOM 1768 C GLU A 110 22.445 8.489 -3.099 1.00 0.00 C ATOM 1769 O GLU A 110 22.707 8.349 -4.277 1.00 0.00 O ATOM 1770 CB GLU A 110 23.657 10.006 -1.536 1.00 0.00 C ATOM 1771 CG GLU A 110 24.748 10.786 -2.274 1.00 0.00 C ATOM 1772 CD GLU A 110 25.631 9.813 -3.055 1.00 0.00 C ATOM 1773 OE1 GLU A 110 25.493 8.620 -2.847 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.433 10.277 -3.850 1.00 0.00 O ATOM 0 H GLU A 110 21.340 10.281 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 110 22.451 10.650 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.386 10.522 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 110 24.028 9.021 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.297 11.509 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.351 11.350 -1.563 1.00 0.00 H new ATOM 1781 N ASN A 111 22.159 7.472 -2.334 1.00 0.00 N ATOM 1782 CA ASN A 111 22.145 6.092 -2.886 1.00 0.00 C ATOM 1783 C ASN A 111 20.954 5.900 -3.825 1.00 0.00 C ATOM 1784 O ASN A 111 21.015 5.107 -4.725 1.00 0.00 O ATOM 1785 CB ASN A 111 22.068 5.080 -1.742 1.00 0.00 C ATOM 1786 CG ASN A 111 22.429 3.688 -2.269 1.00 0.00 C ATOM 1787 OD1 ASN A 111 22.498 3.477 -3.464 1.00 0.00 O ATOM 1788 ND2 ASN A 111 22.663 2.724 -1.422 1.00 0.00 N ATOM 0 H ASN A 111 21.933 7.541 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 111 23.063 5.934 -3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.751 5.366 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.064 5.071 -1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.904 1.793 -1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 111 22.605 2.901 -0.419 1.00 0.00 H new ATOM 1795 N PHE A 112 19.863 6.588 -3.639 1.00 0.00 N ATOM 1796 CA PHE A 112 18.725 6.378 -4.578 1.00 0.00 C ATOM 1797 C PHE A 112 19.120 6.913 -5.951 1.00 0.00 C ATOM 1798 O PHE A 112 18.828 6.320 -6.958 1.00 0.00 O ATOM 1799 CB PHE A 112 17.486 7.125 -4.072 1.00 0.00 C ATOM 1800 CG PHE A 112 16.305 6.775 -4.951 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.542 5.631 -4.684 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.983 7.586 -6.047 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.460 5.301 -5.509 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.904 7.253 -6.871 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.142 6.112 -6.603 1.00 0.00 C ATOM 0 H PHE A 112 19.710 7.271 -2.897 1.00 0.00 H new ATOM 0 HA PHE A 112 18.492 5.315 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.279 6.852 -3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.662 8.201 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.789 5.003 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.569 8.469 -6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.871 4.420 -5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.659 7.879 -7.716 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.308 5.857 -7.240 1.00 0.00 H new ATOM 1815 N LEU A 113 19.785 8.026 -6.009 1.00 0.00 N ATOM 1816 CA LEU A 113 20.206 8.554 -7.333 1.00 0.00 C ATOM 1817 C LEU A 113 21.332 7.668 -7.883 1.00 0.00 C ATOM 1818 O LEU A 113 21.465 7.492 -9.075 1.00 0.00 O ATOM 1819 CB LEU A 113 20.697 9.994 -7.181 1.00 0.00 C ATOM 1820 CG LEU A 113 19.558 10.866 -6.644 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.070 12.287 -6.410 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.415 10.896 -7.661 1.00 0.00 C ATOM 0 H LEU A 113 20.055 8.592 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 113 19.363 8.544 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.548 10.030 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.040 10.376 -8.142 1.00 0.00 H new ATOM 0 HG LEU A 113 19.196 10.451 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.259 12.907 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.884 12.266 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 113 20.433 12.702 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.604 11.516 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.776 11.310 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.049 9.883 -7.827 1.00 0.00 H new ATOM 1834 N GLU A 114 22.147 7.108 -7.020 1.00 0.00 N ATOM 1835 CA GLU A 114 23.255 6.226 -7.492 1.00 0.00 C ATOM 1836 C GLU A 114 22.664 4.910 -8.015 1.00 0.00 C ATOM 1837 O GLU A 114 22.969 4.450 -9.095 1.00 0.00 O ATOM 1838 CB GLU A 114 24.177 5.927 -6.312 1.00 0.00 C ATOM 1839 CG GLU A 114 25.611 5.717 -6.797 1.00 0.00 C ATOM 1840 CD GLU A 114 25.612 4.835 -8.048 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.185 5.313 -9.086 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.042 3.698 -7.945 1.00 0.00 O ATOM 0 H GLU A 114 22.090 7.226 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 114 23.813 6.719 -8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.144 6.751 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 114 23.830 5.037 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.074 6.679 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.206 5.250 -6.012 1.00 0.00 H new ATOM 1849 N ARG A 115 21.827 4.318 -7.219 1.00 0.00 N ATOM 1850 CA ARG A 115 21.171 3.025 -7.565 1.00 0.00 C ATOM 1851 C ARG A 115 20.219 3.224 -8.742 1.00 0.00 C ATOM 1852 O ARG A 115 20.254 2.510 -9.724 1.00 0.00 O ATOM 1853 CB ARG A 115 20.353 2.581 -6.346 1.00 0.00 C ATOM 1854 CG ARG A 115 20.399 1.056 -6.220 1.00 0.00 C ATOM 1855 CD ARG A 115 21.381 0.665 -5.114 1.00 0.00 C ATOM 1856 NE ARG A 115 22.018 -0.639 -5.453 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.298 -0.810 -5.265 1.00 0.00 C ATOM 1858 NH1 ARG A 115 23.746 -1.125 -4.079 1.00 0.00 N ATOM 1859 NH2 ARG A 115 24.129 -0.665 -6.260 1.00 0.00 N ATOM 0 H ARG A 115 21.558 4.689 -6.308 1.00 0.00 H new ATOM 0 HA ARG A 115 21.922 2.282 -7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.751 3.042 -5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.321 2.916 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 115 19.406 0.669 -5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.705 0.611 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.143 1.436 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 115 20.859 0.590 -4.160 1.00 0.00 H new ATOM 0 HE ARG A 115 21.453 -1.399 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 115 23.096 -1.237 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 115 24.746 -1.259 -3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 115 23.778 -0.418 -7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 115 25.129 -0.799 -6.113 1.00 0.00 H new ATOM 1873 N LEU A 116 19.371 4.195 -8.627 1.00 0.00 N ATOM 1874 CA LEU A 116 18.382 4.487 -9.699 1.00 0.00 C ATOM 1875 C LEU A 116 19.119 4.848 -11.003 1.00 0.00 C ATOM 1876 O LEU A 116 18.778 4.364 -12.064 1.00 0.00 O ATOM 1877 CB LEU A 116 17.525 5.676 -9.246 1.00 0.00 C ATOM 1878 CG LEU A 116 16.200 5.682 -10.012 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.444 6.974 -9.709 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.470 5.592 -11.511 1.00 0.00 C ATOM 0 H LEU A 116 19.317 4.815 -7.819 1.00 0.00 H new ATOM 0 HA LEU A 116 17.755 3.614 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.336 5.612 -8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.060 6.609 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 116 15.601 4.826 -9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.500 6.980 -10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.246 7.037 -8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 116 16.046 7.829 -10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.524 5.597 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.071 6.445 -11.824 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.008 4.670 -11.729 1.00 0.00 H new ATOM 1892 N LYS A 117 20.119 5.708 -10.947 1.00 0.00 N ATOM 1893 CA LYS A 117 20.837 6.093 -12.198 1.00 0.00 C ATOM 1894 C LYS A 117 21.677 4.930 -12.730 1.00 0.00 C ATOM 1895 O LYS A 117 21.905 4.819 -13.917 1.00 0.00 O ATOM 1896 CB LYS A 117 21.752 7.285 -11.910 1.00 0.00 C ATOM 1897 CG LYS A 117 22.619 7.571 -13.137 1.00 0.00 C ATOM 1898 CD LYS A 117 23.975 6.879 -12.979 1.00 0.00 C ATOM 1899 CE LYS A 117 24.983 7.858 -12.377 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.691 7.207 -11.240 1.00 0.00 N ATOM 0 H LYS A 117 20.460 6.152 -10.094 1.00 0.00 H new ATOM 0 HA LYS A 117 20.096 6.359 -12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.156 8.163 -11.660 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.383 7.072 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 117 22.120 7.215 -14.038 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.759 8.646 -13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.875 6.004 -12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.329 6.526 -13.947 1.00 0.00 H new ATOM 0 HE2 LYS A 117 25.701 8.169 -13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.472 8.757 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 26.139 7.935 -10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 25.009 6.667 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 26.420 6.564 -11.608 1.00 0.00 H new ATOM 1914 N THR A 118 22.156 4.074 -11.877 1.00 0.00 N ATOM 1915 CA THR A 118 22.997 2.941 -12.360 1.00 0.00 C ATOM 1916 C THR A 118 22.218 2.091 -13.370 1.00 0.00 C ATOM 1917 O THR A 118 22.769 1.617 -14.343 1.00 0.00 O ATOM 1918 CB THR A 118 23.412 2.069 -11.171 1.00 0.00 C ATOM 1919 OG1 THR A 118 24.180 2.838 -10.253 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.247 0.889 -11.670 1.00 0.00 C ATOM 0 H THR A 118 22.004 4.106 -10.869 1.00 0.00 H new ATOM 0 HA THR A 118 23.884 3.344 -12.848 1.00 0.00 H new ATOM 0 HB THR A 118 22.518 1.698 -10.669 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.594 3.188 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.542 0.269 -10.824 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.657 0.295 -12.367 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.138 1.262 -12.175 1.00 0.00 H new ATOM 1928 N ILE A 119 20.953 1.881 -13.147 1.00 0.00 N ATOM 1929 CA ILE A 119 20.162 1.045 -14.093 1.00 0.00 C ATOM 1930 C ILE A 119 19.987 1.759 -15.437 1.00 0.00 C ATOM 1931 O ILE A 119 20.013 1.140 -16.482 1.00 0.00 O ATOM 1932 CB ILE A 119 18.800 0.754 -13.496 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.971 -0.016 -12.187 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.976 -0.081 -14.479 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.702 0.918 -11.009 1.00 0.00 C ATOM 0 H ILE A 119 20.432 2.251 -12.352 1.00 0.00 H new ATOM 0 HA ILE A 119 20.700 0.112 -14.262 1.00 0.00 H new ATOM 0 HB ILE A 119 18.283 1.693 -13.299 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.285 -0.862 -12.158 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.980 -0.422 -12.120 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.997 -0.289 -14.048 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.852 0.471 -15.411 1.00 0.00 H new ATOM 0 HG23 ILE A 119 18.491 -1.020 -14.680 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.824 0.370 -10.075 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.406 1.750 -11.036 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.684 1.302 -11.074 1.00 0.00 H new ATOM 1947 N MET A 120 19.788 3.049 -15.425 1.00 0.00 N ATOM 1948 CA MET A 120 19.590 3.780 -16.712 1.00 0.00 C ATOM 1949 C MET A 120 20.891 3.831 -17.508 1.00 0.00 C ATOM 1950 O MET A 120 20.915 3.507 -18.673 1.00 0.00 O ATOM 1951 CB MET A 120 19.117 5.205 -16.423 1.00 0.00 C ATOM 1952 CG MET A 120 17.701 5.167 -15.855 1.00 0.00 C ATOM 1953 SD MET A 120 17.683 5.926 -14.216 1.00 0.00 S ATOM 1954 CE MET A 120 15.970 6.507 -14.270 1.00 0.00 C ATOM 0 H MET A 120 19.754 3.627 -14.585 1.00 0.00 H new ATOM 0 HA MET A 120 18.839 3.251 -17.300 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.791 5.687 -15.715 1.00 0.00 H new ATOM 0 HB3 MET A 120 19.138 5.799 -17.337 1.00 0.00 H new ATOM 0 HG2 MET A 120 17.018 5.696 -16.519 1.00 0.00 H new ATOM 0 HG3 MET A 120 17.351 4.137 -15.793 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.827 7.288 -13.523 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.753 6.908 -15.260 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.297 5.676 -14.060 1.00 0.00 H new ATOM 1964 N ARG A 121 21.969 4.233 -16.904 1.00 0.00 N ATOM 1965 CA ARG A 121 23.250 4.290 -17.660 1.00 0.00 C ATOM 1966 C ARG A 121 23.591 2.892 -18.148 1.00 0.00 C ATOM 1967 O ARG A 121 24.143 2.710 -19.209 1.00 0.00 O ATOM 1968 CB ARG A 121 24.359 4.777 -16.733 1.00 0.00 C ATOM 1969 CG ARG A 121 24.856 6.147 -17.200 1.00 0.00 C ATOM 1970 CD ARG A 121 25.503 6.013 -18.579 1.00 0.00 C ATOM 1971 NE ARG A 121 26.872 5.444 -18.431 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.815 6.150 -17.869 1.00 0.00 C ATOM 1973 NH1 ARG A 121 27.905 6.197 -16.568 1.00 0.00 N ATOM 1974 NH2 ARG A 121 28.667 6.806 -18.607 1.00 0.00 N ATOM 0 H ARG A 121 22.022 4.523 -15.928 1.00 0.00 H new ATOM 0 HA ARG A 121 23.153 4.970 -18.506 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.988 4.843 -15.710 1.00 0.00 H new ATOM 0 HB3 ARG A 121 25.182 4.063 -16.728 1.00 0.00 H new ATOM 0 HG2 ARG A 121 24.025 6.851 -17.243 1.00 0.00 H new ATOM 0 HG3 ARG A 121 25.576 6.547 -16.486 1.00 0.00 H new ATOM 0 HD2 ARG A 121 24.897 5.369 -19.216 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.553 6.987 -19.066 1.00 0.00 H new ATOM 0 HE ARG A 121 27.072 4.503 -18.769 1.00 0.00 H new ATOM 0 HH11 ARG A 121 27.239 5.682 -15.992 1.00 0.00 H new ATOM 0 HH12 ARG A 121 28.641 6.748 -16.127 1.00 0.00 H new ATOM 0 HH21 ARG A 121 28.597 6.767 -19.624 1.00 0.00 H new ATOM 0 HH22 ARG A 121 29.404 7.358 -18.167 1.00 0.00 H new ATOM 1988 N GLU A 122 23.264 1.902 -17.370 1.00 0.00 N ATOM 1989 CA GLU A 122 23.561 0.502 -17.785 1.00 0.00 C ATOM 1990 C GLU A 122 22.644 0.114 -18.953 1.00 0.00 C ATOM 1991 O GLU A 122 23.036 -0.627 -19.831 1.00 0.00 O ATOM 1992 CB GLU A 122 23.321 -0.463 -16.608 1.00 0.00 C ATOM 1993 CG GLU A 122 24.308 -0.190 -15.458 1.00 0.00 C ATOM 1994 CD GLU A 122 23.734 -0.755 -14.158 1.00 0.00 C ATOM 1995 OE1 GLU A 122 22.522 -0.841 -14.055 1.00 0.00 O ATOM 1996 OE2 GLU A 122 24.517 -1.094 -13.285 1.00 0.00 O ATOM 0 H GLU A 122 22.804 1.999 -16.465 1.00 0.00 H new ATOM 0 HA GLU A 122 24.604 0.436 -18.093 1.00 0.00 H new ATOM 0 HB2 GLU A 122 22.298 -0.354 -16.247 1.00 0.00 H new ATOM 0 HB3 GLU A 122 23.431 -1.492 -16.949 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.272 -0.650 -15.674 1.00 0.00 H new ATOM 0 HG3 GLU A 122 24.481 0.882 -15.358 1.00 0.00 H new ATOM 2003 N LYS A 123 21.431 0.609 -18.982 1.00 0.00 N ATOM 2004 CA LYS A 123 20.522 0.253 -20.111 1.00 0.00 C ATOM 2005 C LYS A 123 21.024 0.925 -21.391 1.00 0.00 C ATOM 2006 O LYS A 123 21.091 0.323 -22.443 1.00 0.00 O ATOM 2007 CB LYS A 123 19.104 0.739 -19.799 1.00 0.00 C ATOM 2008 CG LYS A 123 18.087 -0.203 -20.449 1.00 0.00 C ATOM 2009 CD LYS A 123 16.839 -0.293 -19.569 1.00 0.00 C ATOM 2010 CE LYS A 123 15.609 0.102 -20.389 1.00 0.00 C ATOM 2011 NZ LYS A 123 14.376 -0.353 -19.685 1.00 0.00 N ATOM 0 H LYS A 123 21.036 1.236 -18.281 1.00 0.00 H new ATOM 0 HA LYS A 123 20.510 -0.829 -20.246 1.00 0.00 H new ATOM 0 HB2 LYS A 123 18.948 0.771 -18.721 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.966 1.754 -20.172 1.00 0.00 H new ATOM 0 HG2 LYS A 123 17.820 0.162 -21.441 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.524 -1.193 -20.580 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.724 -1.307 -19.185 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.941 0.365 -18.706 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.583 1.183 -20.528 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.661 -0.346 -21.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 13.539 -0.085 -20.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 14.401 -1.387 -19.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 14.326 0.095 -18.748 1.00 0.00 H new ATOM 2025 N TYR A 124 21.385 2.172 -21.295 1.00 0.00 N ATOM 2026 CA TYR A 124 21.893 2.917 -22.468 1.00 0.00 C ATOM 2027 C TYR A 124 23.279 2.385 -22.839 1.00 0.00 C ATOM 2028 O TYR A 124 23.684 2.432 -23.984 1.00 0.00 O ATOM 2029 CB TYR A 124 21.946 4.418 -22.151 1.00 0.00 C ATOM 2030 CG TYR A 124 20.740 5.073 -22.783 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.495 4.436 -22.734 1.00 0.00 C ATOM 2032 CD2 TYR A 124 20.872 6.301 -23.443 1.00 0.00 C ATOM 2033 CE1 TYR A 124 18.382 5.024 -23.344 1.00 0.00 C ATOM 2034 CE2 TYR A 124 19.758 6.892 -24.050 1.00 0.00 C ATOM 2035 CZ TYR A 124 18.514 6.253 -24.002 1.00 0.00 C ATOM 2036 OH TYR A 124 17.417 6.835 -24.604 1.00 0.00 O ATOM 0 H TYR A 124 21.347 2.714 -20.432 1.00 0.00 H new ATOM 0 HA TYR A 124 21.224 2.775 -23.317 1.00 0.00 H new ATOM 0 HB2 TYR A 124 21.946 4.580 -21.073 1.00 0.00 H new ATOM 0 HB3 TYR A 124 22.865 4.857 -22.539 1.00 0.00 H new ATOM 0 HD1 TYR A 124 19.393 3.489 -22.225 1.00 0.00 H new ATOM 0 HD2 TYR A 124 21.833 6.792 -23.484 1.00 0.00 H new ATOM 0 HE1 TYR A 124 17.422 4.531 -23.308 1.00 0.00 H new ATOM 0 HE2 TYR A 124 19.858 7.841 -24.555 1.00 0.00 H new ATOM 0 HH TYR A 124 17.202 6.352 -25.429 1.00 0.00 H new ATOM 2046 N SER A 125 24.009 1.879 -21.882 1.00 0.00 N ATOM 2047 CA SER A 125 25.366 1.345 -22.190 1.00 0.00 C ATOM 2048 C SER A 125 25.259 0.281 -23.283 1.00 0.00 C ATOM 2049 O SER A 125 26.129 0.142 -24.118 1.00 0.00 O ATOM 2050 CB SER A 125 25.969 0.723 -20.928 1.00 0.00 C ATOM 2051 OG SER A 125 27.347 0.456 -21.144 1.00 0.00 O ATOM 0 H SER A 125 23.726 1.813 -20.904 1.00 0.00 H new ATOM 0 HA SER A 125 26.006 2.157 -22.535 1.00 0.00 H new ATOM 0 HB2 SER A 125 25.847 1.400 -20.082 1.00 0.00 H new ATOM 0 HB3 SER A 125 25.444 -0.199 -20.677 1.00 0.00 H new ATOM 0 HG SER A 125 27.734 0.059 -20.336 1.00 0.00 H new ATOM 2057 N LYS A 126 24.194 -0.470 -23.280 1.00 0.00 N ATOM 2058 CA LYS A 126 24.020 -1.527 -24.317 1.00 0.00 C ATOM 2059 C LYS A 126 22.529 -1.831 -24.486 1.00 0.00 C ATOM 2060 O LYS A 126 22.093 -2.954 -24.324 1.00 0.00 O ATOM 2061 CB LYS A 126 24.752 -2.797 -23.878 1.00 0.00 C ATOM 2062 CG LYS A 126 26.263 -2.577 -23.975 1.00 0.00 C ATOM 2063 CD LYS A 126 26.640 -2.241 -25.420 1.00 0.00 C ATOM 2064 CE LYS A 126 28.163 -2.232 -25.560 1.00 0.00 C ATOM 2065 NZ LYS A 126 28.531 -1.816 -26.944 1.00 0.00 N ATOM 0 H LYS A 126 23.434 -0.398 -22.603 1.00 0.00 H new ATOM 0 HA LYS A 126 24.432 -1.180 -25.265 1.00 0.00 H new ATOM 0 HB2 LYS A 126 24.476 -3.053 -22.855 1.00 0.00 H new ATOM 0 HB3 LYS A 126 24.455 -3.636 -24.507 1.00 0.00 H new ATOM 0 HG2 LYS A 126 26.566 -1.767 -23.311 1.00 0.00 H new ATOM 0 HG3 LYS A 126 26.793 -3.472 -23.649 1.00 0.00 H new ATOM 0 HD2 LYS A 126 26.206 -2.974 -26.100 1.00 0.00 H new ATOM 0 HD3 LYS A 126 26.233 -1.269 -25.697 1.00 0.00 H new ATOM 0 HE2 LYS A 126 28.602 -1.548 -24.834 1.00 0.00 H new ATOM 0 HE3 LYS A 126 28.565 -3.223 -25.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 29.566 -1.809 -27.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 28.124 -2.486 -27.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 28.160 -0.862 -27.130 1.00 0.00 H new ATOM 2079 N CYS A 127 21.744 -0.841 -24.807 1.00 0.00 N ATOM 2080 CA CYS A 127 20.283 -1.076 -24.983 1.00 0.00 C ATOM 2081 C CYS A 127 20.064 -2.230 -25.963 1.00 0.00 C ATOM 2082 O CYS A 127 19.036 -2.876 -25.955 1.00 0.00 O ATOM 2083 CB CYS A 127 19.625 0.191 -25.530 1.00 0.00 C ATOM 2084 SG CYS A 127 18.840 1.097 -24.173 1.00 0.00 S ATOM 0 H CYS A 127 22.050 0.121 -24.955 1.00 0.00 H new ATOM 0 HA CYS A 127 19.838 -1.330 -24.021 1.00 0.00 H new ATOM 0 HB2 CYS A 127 20.370 0.819 -26.018 1.00 0.00 H new ATOM 0 HB3 CYS A 127 18.883 -0.069 -26.285 1.00 0.00 H new ATOM 2089 N SER A 128 21.023 -2.494 -26.809 1.00 0.00 N ATOM 2090 CA SER A 128 20.865 -3.607 -27.788 1.00 0.00 C ATOM 2091 C SER A 128 19.535 -3.451 -28.527 1.00 0.00 C ATOM 2092 O SER A 128 19.456 -2.802 -29.552 1.00 0.00 O ATOM 2093 CB SER A 128 20.883 -4.945 -27.047 1.00 0.00 C ATOM 2094 OG SER A 128 20.230 -5.930 -27.834 1.00 0.00 O ATOM 0 H SER A 128 21.907 -1.988 -26.864 1.00 0.00 H new ATOM 0 HA SER A 128 21.685 -3.579 -28.506 1.00 0.00 H new ATOM 0 HB2 SER A 128 21.911 -5.248 -26.845 1.00 0.00 H new ATOM 0 HB3 SER A 128 20.385 -4.846 -26.083 1.00 0.00 H new ATOM 0 HG SER A 128 20.243 -6.788 -27.361 1.00 0.00 H new ATOM 2100 N SER A 129 18.490 -4.042 -28.016 1.00 0.00 N ATOM 2101 CA SER A 129 17.166 -3.926 -28.691 1.00 0.00 C ATOM 2102 C SER A 129 16.768 -2.452 -28.784 1.00 0.00 C ATOM 2103 O SER A 129 16.280 -1.926 -27.797 1.00 0.00 O ATOM 2104 CB SER A 129 16.114 -4.687 -27.881 1.00 0.00 C ATOM 2105 OG SER A 129 15.192 -5.307 -28.768 1.00 0.00 O ATOM 2106 OXT SER A 129 16.957 -1.873 -29.841 1.00 0.00 O ATOM 0 H SER A 129 18.495 -4.599 -27.162 1.00 0.00 H new ATOM 0 HA SER A 129 17.231 -4.349 -29.694 1.00 0.00 H new ATOM 0 HB2 SER A 129 16.595 -5.439 -27.255 1.00 0.00 H new ATOM 0 HB3 SER A 129 15.589 -4.004 -27.213 1.00 0.00 H new ATOM 0 HG SER A 129 14.519 -5.796 -28.251 1.00 0.00 H new TER 2112 SER A 129