USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 752 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 11 THR OG1 : rot 90:sc= 0.127 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.738 K(o=-0.27,f=-2.5!) USER MOD Set 1.3: A 59 GLN : amide:sc= 0.339 K(o=-0.27,f=-0.96) USER MOD Set 2.1: A 6 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.5) USER MOD Set 2.2: A 8 HIS : no HD1:sc=-0.00116 X(o=-1.3,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.0648 (180deg=-1.04) USER MOD Single : A 3 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.28) USER MOD Single : A 4 HIS : no HD1:sc= -0.0826 X(o=-0.083,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 7 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-0.95) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.784 X(o=-0.78,f=-0.75) USER MOD Single : A 20 HIS : no HE2:sc= -2.47! C(o=-2.5!,f=-4.4!) USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.21 USER MOD Single : A 25 SER OG : rot 180:sc= -0.132 USER MOD Single : A 27 MET CE :methyl -147:sc=-0.00181 (180deg=-1.11) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.545 K(o=-0.55,f=-1.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -117:sc= -1.21 (180deg=-3.26!) USER MOD Single : A 48 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00648 USER MOD Single : A 50 GLN : amide:sc= -3.46! K(o=-3.5!,f=-0.41) USER MOD Single : A 51 GLN : amide:sc= -5.44! C(o=-5.4!,f=-3.2!) USER MOD Single : A 52 ASN : amide:sc= -4.51! C(o=-4.5!,f=-11!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.121 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -36:sc= 0.991 USER MOD Single : A 68 GLN : amide:sc= -0.776 K(o=-0.78,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.59 K(o=-0.59,f=-0.038) USER MOD Single : A 74 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.3) USER MOD Single : A 75 SER OG : rot 73:sc= 1.08 USER MOD Single : A 77 HIS : no HD1:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= -0.0984 (180deg=-0.792) USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= -0.0779 (180deg=-0.626) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.616 18.579 -3.483 1.00 1.00 N ATOM 2 CA MET A 1 14.073 18.647 -3.787 1.00 1.00 C ATOM 3 C MET A 1 14.855 18.809 -2.487 1.00 1.00 C ATOM 4 O MET A 1 15.771 19.625 -2.401 1.00 1.00 O ATOM 5 CB MET A 1 14.345 19.835 -4.711 1.00 1.00 C ATOM 6 CG MET A 1 13.561 21.053 -4.220 1.00 1.00 C ATOM 7 SD MET A 1 14.496 22.561 -4.584 1.00 1.00 S ATOM 8 CE MET A 1 13.832 23.570 -3.236 1.00 1.00 C ATOM 0 H1 MET A 1 12.075 18.953 -4.289 1.00 1.00 H new ATOM 0 H2 MET A 1 12.343 17.590 -3.312 1.00 1.00 H new ATOM 0 H3 MET A 1 12.411 19.146 -2.636 1.00 1.00 H new ATOM 0 HA MET A 1 14.388 17.729 -4.283 1.00 1.00 H new ATOM 0 HB2 MET A 1 15.412 20.059 -4.729 1.00 1.00 H new ATOM 0 HB3 MET A 1 14.054 19.589 -5.732 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.586 21.091 -4.706 1.00 1.00 H new ATOM 0 HG3 MET A 1 13.380 20.974 -3.148 1.00 1.00 H new ATOM 0 HE1 MET A 1 14.281 24.563 -3.270 1.00 1.00 H new ATOM 0 HE2 MET A 1 12.751 23.656 -3.345 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.064 23.099 -2.281 1.00 1.00 H new ATOM 20 N GLY A 2 14.485 18.026 -1.479 1.00 1.00 N ATOM 21 CA GLY A 2 15.159 18.091 -0.187 1.00 1.00 C ATOM 22 C GLY A 2 14.269 17.538 0.920 1.00 1.00 C ATOM 23 O GLY A 2 13.499 16.602 0.703 1.00 1.00 O ATOM 0 H GLY A 2 13.728 17.344 -1.530 1.00 1.00 H new ATOM 0 HA2 GLY A 2 16.089 17.524 -0.229 1.00 1.00 H new ATOM 0 HA3 GLY A 2 15.425 19.124 0.037 1.00 1.00 H new ATOM 27 N HIS A 3 14.378 18.124 2.109 1.00 1.00 N ATOM 28 CA HIS A 3 13.577 17.680 3.245 1.00 1.00 C ATOM 29 C HIS A 3 12.250 18.431 3.288 1.00 1.00 C ATOM 30 O HIS A 3 12.152 19.568 2.829 1.00 1.00 O ATOM 31 CB HIS A 3 14.343 17.917 4.548 1.00 1.00 C ATOM 32 CG HIS A 3 15.754 18.327 4.231 1.00 1.00 C ATOM 33 ND1 HIS A 3 16.752 17.400 3.966 1.00 1.00 N ATOM 34 CD2 HIS A 3 16.354 19.558 4.136 1.00 1.00 C ATOM 35 CE1 HIS A 3 17.886 18.082 3.724 1.00 1.00 C ATOM 36 NE2 HIS A 3 17.698 19.402 3.815 1.00 1.00 N ATOM 0 H HIS A 3 15.008 18.901 2.310 1.00 1.00 H new ATOM 0 HA HIS A 3 13.376 16.615 3.132 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.851 18.692 5.136 1.00 1.00 H new ATOM 0 HB3 HIS A 3 14.343 17.010 5.153 1.00 1.00 H new ATOM 0 HD2 HIS A 3 15.857 20.505 4.288 1.00 1.00 H new ATOM 0 HE1 HIS A 3 18.832 17.619 3.485 1.00 1.00 H new ATOM 0 HE2 HIS A 3 18.392 20.137 3.678 1.00 1.00 H new ATOM 44 N HIS A 4 11.230 17.786 3.843 1.00 1.00 N ATOM 45 CA HIS A 4 9.912 18.402 3.943 1.00 1.00 C ATOM 46 C HIS A 4 9.829 19.296 5.176 1.00 1.00 C ATOM 47 O HIS A 4 10.254 18.908 6.265 1.00 1.00 O ATOM 48 CB HIS A 4 8.833 17.320 4.022 1.00 1.00 C ATOM 49 CG HIS A 4 8.191 17.154 2.672 1.00 1.00 C ATOM 50 ND1 HIS A 4 8.205 15.947 1.990 1.00 1.00 N ATOM 51 CD2 HIS A 4 7.511 18.032 1.865 1.00 1.00 C ATOM 52 CE1 HIS A 4 7.552 16.129 0.828 1.00 1.00 C ATOM 53 NE2 HIS A 4 7.109 17.383 0.700 1.00 1.00 N ATOM 0 H HIS A 4 11.289 16.843 4.228 1.00 1.00 H new ATOM 0 HA HIS A 4 9.750 19.012 3.054 1.00 1.00 H new ATOM 0 HB2 HIS A 4 9.272 16.377 4.347 1.00 1.00 H new ATOM 0 HB3 HIS A 4 8.082 17.594 4.763 1.00 1.00 H new ATOM 0 HD2 HIS A 4 7.317 19.069 2.098 1.00 1.00 H new ATOM 0 HE1 HIS A 4 7.404 15.356 0.089 1.00 1.00 H new ATOM 0 HE2 HIS A 4 6.588 17.780 -0.082 1.00 1.00 H new ATOM 61 N HIS A 5 9.280 20.493 4.997 1.00 1.00 N ATOM 62 CA HIS A 5 9.147 21.435 6.103 1.00 1.00 C ATOM 63 C HIS A 5 7.889 21.137 6.912 1.00 1.00 C ATOM 64 O HIS A 5 7.585 21.831 7.882 1.00 1.00 O ATOM 65 CB HIS A 5 9.082 22.865 5.564 1.00 1.00 C ATOM 66 CG HIS A 5 10.471 23.345 5.243 1.00 1.00 C ATOM 67 ND1 HIS A 5 11.051 24.421 5.897 1.00 1.00 N ATOM 68 CD2 HIS A 5 11.406 22.908 4.339 1.00 1.00 C ATOM 69 CE1 HIS A 5 12.282 24.593 5.383 1.00 1.00 C ATOM 70 NE2 HIS A 5 12.549 23.696 4.429 1.00 1.00 N ATOM 0 H HIS A 5 8.922 20.832 4.104 1.00 1.00 H new ATOM 0 HA HIS A 5 10.016 21.330 6.752 1.00 1.00 H new ATOM 0 HB2 HIS A 5 8.458 22.900 4.671 1.00 1.00 H new ATOM 0 HB3 HIS A 5 8.620 23.522 6.301 1.00 1.00 H new ATOM 0 HD2 HIS A 5 11.275 22.078 3.660 1.00 1.00 H new ATOM 0 HE1 HIS A 5 12.970 25.362 5.702 1.00 1.00 H new ATOM 0 HE2 HIS A 5 13.407 23.608 3.884 1.00 1.00 H new ATOM 78 N HIS A 6 7.161 20.100 6.506 1.00 1.00 N ATOM 79 CA HIS A 6 5.937 19.721 7.203 1.00 1.00 C ATOM 80 C HIS A 6 5.628 18.244 6.978 1.00 1.00 C ATOM 81 O HIS A 6 6.506 17.465 6.607 1.00 1.00 O ATOM 82 CB HIS A 6 4.767 20.570 6.701 1.00 1.00 C ATOM 83 CG HIS A 6 4.241 19.988 5.419 1.00 1.00 C ATOM 84 ND1 HIS A 6 5.060 19.738 4.329 1.00 1.00 N ATOM 85 CD2 HIS A 6 2.981 19.600 5.036 1.00 1.00 C ATOM 86 CE1 HIS A 6 4.293 19.222 3.353 1.00 1.00 C ATOM 87 NE2 HIS A 6 3.015 19.117 3.731 1.00 1.00 N ATOM 0 H HIS A 6 7.395 19.513 5.706 1.00 1.00 H new ATOM 0 HA HIS A 6 6.080 19.893 8.270 1.00 1.00 H new ATOM 0 HB2 HIS A 6 3.977 20.599 7.451 1.00 1.00 H new ATOM 0 HB3 HIS A 6 5.092 21.598 6.540 1.00 1.00 H new ATOM 0 HD1 HIS A 6 6.063 19.914 4.277 1.00 1.00 H new ATOM 0 HD2 HIS A 6 2.097 19.660 5.654 1.00 1.00 H new ATOM 0 HE1 HIS A 6 4.664 18.928 2.382 1.00 1.00 H new ATOM 95 N HIS A 7 4.375 17.866 7.205 1.00 1.00 N ATOM 96 CA HIS A 7 3.958 16.481 7.023 1.00 1.00 C ATOM 97 C HIS A 7 2.604 16.418 6.323 1.00 1.00 C ATOM 98 O HIS A 7 1.746 17.276 6.532 1.00 1.00 O ATOM 99 CB HIS A 7 3.866 15.781 8.380 1.00 1.00 C ATOM 100 CG HIS A 7 4.984 16.257 9.266 1.00 1.00 C ATOM 101 ND1 HIS A 7 6.062 15.450 9.593 1.00 1.00 N ATOM 102 CD2 HIS A 7 5.204 17.454 9.902 1.00 1.00 C ATOM 103 CE1 HIS A 7 6.876 16.166 10.392 1.00 1.00 C ATOM 104 NE2 HIS A 7 6.401 17.394 10.612 1.00 1.00 N ATOM 0 H HIS A 7 3.634 18.495 7.514 1.00 1.00 H new ATOM 0 HA HIS A 7 4.699 15.976 6.404 1.00 1.00 H new ATOM 0 HB2 HIS A 7 2.903 15.992 8.846 1.00 1.00 H new ATOM 0 HB3 HIS A 7 3.926 14.701 8.249 1.00 1.00 H new ATOM 0 HD2 HIS A 7 4.549 18.311 9.858 1.00 1.00 H new ATOM 0 HE1 HIS A 7 7.801 15.792 10.805 1.00 1.00 H new ATOM 0 HE2 HIS A 7 6.824 18.130 11.178 1.00 1.00 H new ATOM 112 N HIS A 8 2.421 15.400 5.489 1.00 1.00 N ATOM 113 CA HIS A 8 1.166 15.238 4.763 1.00 1.00 C ATOM 114 C HIS A 8 0.966 13.783 4.352 1.00 1.00 C ATOM 115 O HIS A 8 0.202 13.488 3.432 1.00 1.00 O ATOM 116 CB HIS A 8 1.169 16.125 3.516 1.00 1.00 C ATOM 117 CG HIS A 8 -0.110 16.913 3.457 1.00 1.00 C ATOM 118 ND1 HIS A 8 -1.357 16.308 3.499 1.00 1.00 N ATOM 119 CD2 HIS A 8 -0.354 18.262 3.362 1.00 1.00 C ATOM 120 CE1 HIS A 8 -2.284 17.279 3.429 1.00 1.00 C ATOM 121 NE2 HIS A 8 -1.727 18.490 3.344 1.00 1.00 N ATOM 0 H HIS A 8 3.119 14.680 5.300 1.00 1.00 H new ATOM 0 HA HIS A 8 0.348 15.533 5.420 1.00 1.00 H new ATOM 0 HB2 HIS A 8 2.024 16.801 3.540 1.00 1.00 H new ATOM 0 HB3 HIS A 8 1.272 15.512 2.621 1.00 1.00 H new ATOM 0 HD2 HIS A 8 0.405 19.029 3.309 1.00 1.00 H new ATOM 0 HE1 HIS A 8 -3.349 17.102 3.440 1.00 1.00 H new ATOM 0 HE2 HIS A 8 -2.205 19.389 3.280 1.00 1.00 H new ATOM 129 N MET A 9 1.654 12.876 5.042 1.00 1.00 N ATOM 130 CA MET A 9 1.544 11.452 4.742 1.00 1.00 C ATOM 131 C MET A 9 1.943 11.175 3.294 1.00 1.00 C ATOM 132 O MET A 9 1.721 12.002 2.410 1.00 1.00 O ATOM 133 CB MET A 9 0.110 10.968 4.982 1.00 1.00 C ATOM 134 CG MET A 9 0.071 10.069 6.219 1.00 1.00 C ATOM 135 SD MET A 9 -1.650 9.738 6.670 1.00 1.00 S ATOM 136 CE MET A 9 -1.600 10.486 8.317 1.00 1.00 C ATOM 0 H MET A 9 2.289 13.100 5.808 1.00 1.00 H new ATOM 0 HA MET A 9 2.221 10.912 5.404 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.554 11.821 5.119 1.00 1.00 H new ATOM 0 HB3 MET A 9 -0.250 10.421 4.111 1.00 1.00 H new ATOM 0 HG2 MET A 9 0.592 9.133 6.018 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.589 10.551 7.048 1.00 1.00 H new ATOM 0 HE1 MET A 9 -2.578 10.393 8.788 1.00 1.00 H new ATOM 0 HE2 MET A 9 -0.854 9.975 8.926 1.00 1.00 H new ATOM 0 HE3 MET A 9 -1.337 11.540 8.230 1.00 1.00 H new ATOM 146 N ASP A 10 2.532 10.007 3.060 1.00 1.00 N ATOM 147 CA ASP A 10 2.957 9.633 1.715 1.00 1.00 C ATOM 148 C ASP A 10 3.466 8.196 1.691 1.00 1.00 C ATOM 149 O ASP A 10 4.374 7.861 0.929 1.00 1.00 O ATOM 150 CB ASP A 10 4.063 10.576 1.235 1.00 1.00 C ATOM 151 CG ASP A 10 5.219 10.569 2.229 1.00 1.00 C ATOM 152 OD1 ASP A 10 4.955 10.452 3.413 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.353 10.679 1.789 1.00 1.00 O ATOM 0 H ASP A 10 2.725 9.308 3.777 1.00 1.00 H new ATOM 0 HA ASP A 10 2.097 9.712 1.050 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.416 10.266 0.251 1.00 1.00 H new ATOM 0 HB3 ASP A 10 3.670 11.587 1.128 1.00 1.00 H new ATOM 158 N THR A 11 2.875 7.352 2.528 1.00 1.00 N ATOM 159 CA THR A 11 3.275 5.950 2.596 1.00 1.00 C ATOM 160 C THR A 11 2.103 5.091 3.060 1.00 1.00 C ATOM 161 O THR A 11 1.313 5.512 3.905 1.00 1.00 O ATOM 162 CB THR A 11 4.455 5.795 3.562 1.00 1.00 C ATOM 163 OG1 THR A 11 5.668 6.036 2.864 1.00 1.00 O ATOM 164 CG2 THR A 11 4.474 4.379 4.145 1.00 1.00 C ATOM 0 H THR A 11 2.122 7.610 3.166 1.00 1.00 H new ATOM 0 HA THR A 11 3.580 5.619 1.603 1.00 1.00 H new ATOM 0 HB THR A 11 4.349 6.513 4.375 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.890 6.989 2.914 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.316 4.279 4.830 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.544 4.195 4.683 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.575 3.654 3.337 1.00 1.00 H new ATOM 172 N ILE A 12 1.999 3.887 2.502 1.00 1.00 N ATOM 173 CA ILE A 12 0.917 2.975 2.865 1.00 1.00 C ATOM 174 C ILE A 12 1.467 1.766 3.609 1.00 1.00 C ATOM 175 O ILE A 12 2.671 1.506 3.591 1.00 1.00 O ATOM 176 CB ILE A 12 0.185 2.510 1.604 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.525 3.445 0.443 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.323 2.533 1.853 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.354 3.105 -0.762 1.00 1.00 C ATOM 0 H ILE A 12 2.645 3.522 1.802 1.00 1.00 H new ATOM 0 HA ILE A 12 0.221 3.504 3.516 1.00 1.00 H new ATOM 0 HB ILE A 12 0.497 1.495 1.356 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.368 4.482 0.740 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.578 3.345 0.178 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.845 2.202 0.955 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.565 1.866 2.680 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -1.635 3.547 2.101 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.111 3.772 -1.589 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.175 2.073 -1.063 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.403 3.228 -0.493 1.00 1.00 H new ATOM 191 N ILE A 13 0.577 1.027 4.263 1.00 1.00 N ATOM 192 CA ILE A 13 0.988 -0.158 5.008 1.00 1.00 C ATOM 193 C ILE A 13 -0.079 -1.245 4.921 1.00 1.00 C ATOM 194 O ILE A 13 -1.273 -0.968 5.015 1.00 1.00 O ATOM 195 CB ILE A 13 1.250 0.199 6.476 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.234 -0.815 7.068 1.00 1.00 C ATOM 197 CG2 ILE A 13 -0.060 0.160 7.268 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.173 -0.761 8.597 1.00 1.00 C ATOM 0 H ILE A 13 -0.423 1.224 4.293 1.00 1.00 H new ATOM 0 HA ILE A 13 1.909 -0.536 4.565 1.00 1.00 H new ATOM 0 HB ILE A 13 1.669 1.203 6.535 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.990 -1.819 6.720 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.246 -0.596 6.727 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.137 0.415 8.309 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.762 0.878 6.845 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.488 -0.841 7.214 1.00 1.00 H new ATOM 0 HD11 ILE A 13 2.874 -1.483 9.015 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.438 0.240 8.937 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.163 -1.001 8.930 1.00 1.00 H new ATOM 210 N LEU A 14 0.365 -2.482 4.738 1.00 1.00 N ATOM 211 CA LEU A 14 -0.555 -3.607 4.638 1.00 1.00 C ATOM 212 C LEU A 14 -0.716 -4.276 6.001 1.00 1.00 C ATOM 213 O LEU A 14 0.248 -4.404 6.757 1.00 1.00 O ATOM 214 CB LEU A 14 -0.029 -4.621 3.617 1.00 1.00 C ATOM 215 CG LEU A 14 0.683 -3.886 2.480 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.089 -4.887 1.399 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.258 -2.841 1.876 1.00 1.00 C ATOM 0 H LEU A 14 1.351 -2.731 4.656 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.527 -3.241 4.308 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.658 -5.315 4.101 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.854 -5.213 3.220 1.00 1.00 H new ATOM 0 HG LEU A 14 1.572 -3.392 2.872 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.596 -4.362 0.589 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.761 -5.631 1.826 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.200 -5.382 1.009 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.251 -2.318 1.066 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.148 -3.335 1.486 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.548 -2.125 2.645 1.00 1.00 H new ATOM 229 N ARG A 15 -1.945 -4.688 6.311 1.00 1.00 N ATOM 230 CA ARG A 15 -2.237 -5.330 7.590 1.00 1.00 C ATOM 231 C ARG A 15 -2.910 -6.682 7.375 1.00 1.00 C ATOM 232 O ARG A 15 -3.629 -6.877 6.396 1.00 1.00 O ATOM 233 CB ARG A 15 -3.148 -4.414 8.417 1.00 1.00 C ATOM 234 CG ARG A 15 -3.958 -5.230 9.430 1.00 1.00 C ATOM 235 CD ARG A 15 -4.527 -4.291 10.497 1.00 1.00 C ATOM 236 NE ARG A 15 -3.667 -4.294 11.676 1.00 1.00 N ATOM 237 CZ ARG A 15 -3.971 -3.575 12.753 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.057 -2.852 12.771 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.182 -3.595 13.792 1.00 1.00 N ATOM 0 H ARG A 15 -2.752 -4.589 5.695 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.302 -5.498 8.125 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.547 -3.670 8.939 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.824 -3.871 7.756 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.767 -5.758 8.925 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.325 -5.986 9.895 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.607 -3.280 10.098 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.534 -4.606 10.771 1.00 1.00 H new ATOM 0 HE ARG A 15 -2.817 -4.858 11.674 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.674 -2.838 11.959 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.289 -2.301 13.597 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.334 -4.161 13.777 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.413 -3.044 14.619 1.00 1.00 H new ATOM 253 N ASN A 16 -2.667 -7.606 8.302 1.00 1.00 N ATOM 254 CA ASN A 16 -3.252 -8.941 8.226 1.00 1.00 C ATOM 255 C ASN A 16 -2.781 -9.674 6.974 1.00 1.00 C ATOM 256 O ASN A 16 -3.589 -10.075 6.137 1.00 1.00 O ATOM 257 CB ASN A 16 -4.779 -8.840 8.226 1.00 1.00 C ATOM 258 CG ASN A 16 -5.399 -10.222 8.395 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.026 -10.967 9.299 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.338 -10.606 7.575 1.00 1.00 N ATOM 0 H ASN A 16 -2.069 -7.454 9.114 1.00 1.00 H new ATOM 0 HA ASN A 16 -2.925 -9.508 9.098 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.107 -8.185 9.033 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.121 -8.392 7.293 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.765 -11.526 7.683 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.646 -9.986 6.826 1.00 1.00 H new ATOM 267 N ILE A 17 -1.467 -9.849 6.854 1.00 1.00 N ATOM 268 CA ILE A 17 -0.897 -10.540 5.700 1.00 1.00 C ATOM 269 C ILE A 17 -0.569 -11.987 6.053 1.00 1.00 C ATOM 270 O ILE A 17 -0.206 -12.292 7.188 1.00 1.00 O ATOM 271 CB ILE A 17 0.377 -9.831 5.229 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.282 -8.320 5.498 1.00 1.00 C ATOM 273 CG2 ILE A 17 0.579 -10.080 3.733 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.919 -7.715 4.757 1.00 1.00 C ATOM 0 H ILE A 17 -0.781 -9.525 7.536 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.635 -10.525 4.898 1.00 1.00 H new ATOM 0 HB ILE A 17 1.227 -10.230 5.782 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.184 -8.141 6.569 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.200 -7.829 5.176 1.00 1.00 H new ATOM 0 HG21 ILE A 17 1.486 -9.575 3.399 1.00 1.00 H new ATOM 0 HG22 ILE A 17 0.672 -11.151 3.552 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -0.277 -9.692 3.181 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.970 -6.645 4.959 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.804 -7.877 3.685 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.837 -8.193 5.100 1.00 1.00 H new ATOM 286 N ALA A 18 -0.705 -12.877 5.074 1.00 1.00 N ATOM 287 CA ALA A 18 -0.422 -14.292 5.299 1.00 1.00 C ATOM 288 C ALA A 18 1.088 -14.546 5.310 1.00 1.00 C ATOM 289 O ALA A 18 1.856 -13.762 4.752 1.00 1.00 O ATOM 290 CB ALA A 18 -1.074 -15.136 4.199 1.00 1.00 C ATOM 0 H ALA A 18 -1.006 -12.648 4.127 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.833 -14.575 6.268 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.859 -16.190 4.373 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.153 -14.979 4.211 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.675 -14.840 3.229 1.00 1.00 H new ATOM 296 N PRO A 19 1.527 -15.619 5.928 1.00 1.00 N ATOM 297 CA PRO A 19 2.977 -15.971 5.999 1.00 1.00 C ATOM 298 C PRO A 19 3.504 -16.532 4.678 1.00 1.00 C ATOM 299 O PRO A 19 4.660 -16.941 4.586 1.00 1.00 O ATOM 300 CB PRO A 19 3.029 -17.038 7.092 1.00 1.00 C ATOM 301 CG PRO A 19 1.693 -17.698 7.044 1.00 1.00 C ATOM 302 CD PRO A 19 0.695 -16.618 6.627 1.00 1.00 C ATOM 0 HA PRO A 19 3.599 -15.100 6.205 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.830 -17.754 6.908 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.216 -16.594 8.070 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.693 -18.523 6.332 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.430 -18.115 8.016 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -0.080 -17.020 5.974 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.191 -16.185 7.491 1.00 1.00 H new ATOM 310 N HIS A 20 2.643 -16.559 3.665 1.00 1.00 N ATOM 311 CA HIS A 20 3.026 -17.089 2.357 1.00 1.00 C ATOM 312 C HIS A 20 3.265 -15.960 1.358 1.00 1.00 C ATOM 313 O HIS A 20 3.372 -16.195 0.155 1.00 1.00 O ATOM 314 CB HIS A 20 1.918 -18.002 1.832 1.00 1.00 C ATOM 315 CG HIS A 20 2.356 -18.638 0.542 1.00 1.00 C ATOM 316 ND1 HIS A 20 2.089 -18.068 -0.693 1.00 1.00 N ATOM 317 CD2 HIS A 20 3.035 -19.802 0.276 1.00 1.00 C ATOM 318 CE1 HIS A 20 2.601 -18.879 -1.636 1.00 1.00 C ATOM 319 NE2 HIS A 20 3.189 -19.952 -1.099 1.00 1.00 N ATOM 0 H HIS A 20 1.682 -16.223 3.722 1.00 1.00 H new ATOM 0 HA HIS A 20 3.952 -17.652 2.472 1.00 1.00 H new ATOM 0 HB2 HIS A 20 1.688 -18.772 2.569 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.005 -17.428 1.674 1.00 1.00 H new ATOM 0 HD1 HIS A 20 1.594 -17.192 -0.857 1.00 1.00 H new ATOM 0 HD2 HIS A 20 3.395 -20.496 1.021 1.00 1.00 H new ATOM 0 HE1 HIS A 20 2.544 -18.687 -2.697 1.00 1.00 H new ATOM 327 N THR A 21 3.345 -14.736 1.863 1.00 1.00 N ATOM 328 CA THR A 21 3.568 -13.579 1.005 1.00 1.00 C ATOM 329 C THR A 21 5.058 -13.340 0.792 1.00 1.00 C ATOM 330 O THR A 21 5.868 -13.573 1.688 1.00 1.00 O ATOM 331 CB THR A 21 2.927 -12.340 1.633 1.00 1.00 C ATOM 332 OG1 THR A 21 1.624 -12.669 2.093 1.00 1.00 O ATOM 333 CG2 THR A 21 2.837 -11.225 0.589 1.00 1.00 C ATOM 0 H THR A 21 3.259 -14.519 2.856 1.00 1.00 H new ATOM 0 HA THR A 21 3.110 -13.774 0.035 1.00 1.00 H new ATOM 0 HB THR A 21 3.534 -11.999 2.471 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.680 -13.030 3.002 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.380 -10.343 1.037 1.00 1.00 H new ATOM 0 HG22 THR A 21 3.838 -10.976 0.236 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.229 -11.561 -0.251 1.00 1.00 H new ATOM 341 N VAL A 22 5.410 -12.870 -0.401 1.00 1.00 N ATOM 342 CA VAL A 22 6.805 -12.598 -0.726 1.00 1.00 C ATOM 343 C VAL A 22 6.935 -11.251 -1.430 1.00 1.00 C ATOM 344 O VAL A 22 5.936 -10.588 -1.710 1.00 1.00 O ATOM 345 CB VAL A 22 7.357 -13.703 -1.628 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.298 -14.600 -0.822 1.00 1.00 C ATOM 347 CG2 VAL A 22 6.198 -14.541 -2.173 1.00 1.00 C ATOM 0 H VAL A 22 4.752 -12.671 -1.155 1.00 1.00 H new ATOM 0 HA VAL A 22 7.377 -12.569 0.202 1.00 1.00 H new ATOM 0 HB VAL A 22 7.905 -13.255 -2.457 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.691 -15.387 -1.466 1.00 1.00 H new ATOM 0 HG12 VAL A 22 9.123 -14.004 -0.432 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.751 -15.049 0.007 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.590 -15.329 -2.816 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.651 -14.988 -1.343 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.527 -13.903 -2.748 1.00 1.00 H new ATOM 357 N VAL A 23 8.171 -10.852 -1.711 1.00 1.00 N ATOM 358 CA VAL A 23 8.418 -9.580 -2.381 1.00 1.00 C ATOM 359 C VAL A 23 7.992 -9.652 -3.846 1.00 1.00 C ATOM 360 O VAL A 23 7.629 -8.640 -4.446 1.00 1.00 O ATOM 361 CB VAL A 23 9.903 -9.227 -2.298 1.00 1.00 C ATOM 362 CG1 VAL A 23 10.064 -7.709 -2.222 1.00 1.00 C ATOM 363 CG2 VAL A 23 10.507 -9.868 -1.047 1.00 1.00 C ATOM 0 H VAL A 23 9.011 -11.386 -1.488 1.00 1.00 H new ATOM 0 HA VAL A 23 7.832 -8.809 -1.882 1.00 1.00 H new ATOM 0 HB VAL A 23 10.416 -9.601 -3.184 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.123 -7.458 -2.163 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.632 -7.252 -3.112 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.552 -7.333 -1.336 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.566 -9.618 -0.985 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.993 -9.493 -0.162 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.392 -10.951 -1.101 1.00 1.00 H new ATOM 373 N ASP A 24 8.040 -10.852 -4.414 1.00 1.00 N ATOM 374 CA ASP A 24 7.661 -11.043 -5.809 1.00 1.00 C ATOM 375 C ASP A 24 6.152 -10.896 -5.985 1.00 1.00 C ATOM 376 O ASP A 24 5.687 -10.297 -6.955 1.00 1.00 O ATOM 377 CB ASP A 24 8.097 -12.431 -6.280 1.00 1.00 C ATOM 378 CG ASP A 24 8.952 -12.313 -7.537 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.383 -12.273 -8.615 1.00 1.00 O ATOM 380 OD2 ASP A 24 10.164 -12.267 -7.403 1.00 1.00 O ATOM 0 H ASP A 24 8.336 -11.702 -3.934 1.00 1.00 H new ATOM 0 HA ASP A 24 8.159 -10.280 -6.407 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.661 -12.930 -5.492 1.00 1.00 H new ATOM 0 HB3 ASP A 24 7.221 -13.047 -6.483 1.00 1.00 H new ATOM 385 N SER A 25 5.393 -11.448 -5.046 1.00 1.00 N ATOM 386 CA SER A 25 3.938 -11.376 -5.112 1.00 1.00 C ATOM 387 C SER A 25 3.464 -9.928 -5.028 1.00 1.00 C ATOM 388 O SER A 25 2.768 -9.440 -5.919 1.00 1.00 O ATOM 389 CB SER A 25 3.323 -12.180 -3.966 1.00 1.00 C ATOM 390 OG SER A 25 3.566 -13.564 -4.179 1.00 1.00 O ATOM 0 H SER A 25 5.757 -11.947 -4.235 1.00 1.00 H new ATOM 0 HA SER A 25 3.618 -11.796 -6.066 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.753 -11.866 -3.015 1.00 1.00 H new ATOM 0 HB3 SER A 25 2.251 -11.992 -3.909 1.00 1.00 H new ATOM 0 HG SER A 25 3.174 -14.082 -3.445 1.00 1.00 H new ATOM 396 N ILE A 26 3.843 -9.247 -3.953 1.00 1.00 N ATOM 397 CA ILE A 26 3.447 -7.856 -3.762 1.00 1.00 C ATOM 398 C ILE A 26 3.786 -7.023 -4.993 1.00 1.00 C ATOM 399 O ILE A 26 3.055 -6.098 -5.350 1.00 1.00 O ATOM 400 CB ILE A 26 4.162 -7.276 -2.538 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.625 -7.947 -1.267 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.926 -5.763 -2.475 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.415 -7.176 -0.727 1.00 1.00 C ATOM 0 H ILE A 26 4.420 -9.631 -3.205 1.00 1.00 H new ATOM 0 HA ILE A 26 2.369 -7.824 -3.606 1.00 1.00 H new ATOM 0 HB ILE A 26 5.233 -7.465 -2.616 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.341 -8.977 -1.484 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.408 -7.985 -0.509 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.435 -5.351 -1.604 1.00 1.00 H new ATOM 0 HG22 ILE A 26 4.318 -5.296 -3.379 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.857 -5.564 -2.398 1.00 1.00 H new ATOM 0 HD11 ILE A 26 2.045 -7.664 0.175 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.711 -6.154 -0.491 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.627 -7.161 -1.480 1.00 1.00 H new ATOM 415 N MET A 27 4.899 -7.353 -5.639 1.00 1.00 N ATOM 416 CA MET A 27 5.325 -6.626 -6.830 1.00 1.00 C ATOM 417 C MET A 27 4.319 -6.803 -7.965 1.00 1.00 C ATOM 418 O MET A 27 3.765 -5.829 -8.475 1.00 1.00 O ATOM 419 CB MET A 27 6.699 -7.126 -7.281 1.00 1.00 C ATOM 420 CG MET A 27 7.790 -6.476 -6.428 1.00 1.00 C ATOM 421 SD MET A 27 8.451 -5.030 -7.292 1.00 1.00 S ATOM 422 CE MET A 27 9.884 -4.760 -6.221 1.00 1.00 C ATOM 0 H MET A 27 5.519 -8.114 -5.361 1.00 1.00 H new ATOM 0 HA MET A 27 5.385 -5.567 -6.580 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.750 -8.211 -7.189 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.856 -6.888 -8.333 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.383 -6.180 -5.461 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.588 -7.192 -6.232 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.096 -3.693 -6.159 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.671 -5.146 -5.224 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.750 -5.278 -6.634 1.00 1.00 H new ATOM 432 N THR A 28 4.094 -8.051 -8.358 1.00 1.00 N ATOM 433 CA THR A 28 3.161 -8.347 -9.440 1.00 1.00 C ATOM 434 C THR A 28 1.722 -8.050 -9.023 1.00 1.00 C ATOM 435 O THR A 28 0.859 -7.814 -9.868 1.00 1.00 O ATOM 436 CB THR A 28 3.280 -9.820 -9.840 1.00 1.00 C ATOM 437 OG1 THR A 28 4.653 -10.166 -9.963 1.00 1.00 O ATOM 438 CG2 THR A 28 2.572 -10.048 -11.176 1.00 1.00 C ATOM 0 H THR A 28 4.541 -8.870 -7.947 1.00 1.00 H new ATOM 0 HA THR A 28 3.414 -7.711 -10.288 1.00 1.00 H new ATOM 0 HB THR A 28 2.815 -10.443 -9.076 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.731 -11.109 -10.217 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.658 -11.097 -11.459 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.519 -9.783 -11.080 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.034 -9.426 -11.943 1.00 1.00 H new ATOM 446 N ALA A 29 1.467 -8.076 -7.718 1.00 1.00 N ATOM 447 CA ALA A 29 0.124 -7.820 -7.207 1.00 1.00 C ATOM 448 C ALA A 29 -0.240 -6.341 -7.319 1.00 1.00 C ATOM 449 O ALA A 29 -1.399 -5.996 -7.547 1.00 1.00 O ATOM 450 CB ALA A 29 0.035 -8.255 -5.743 1.00 1.00 C ATOM 0 H ALA A 29 2.166 -8.270 -7.001 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.580 -8.394 -7.809 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -0.969 -8.062 -5.366 1.00 1.00 H new ATOM 0 HB2 ALA A 29 0.253 -9.320 -5.666 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.758 -7.693 -5.152 1.00 1.00 H new ATOM 456 N LEU A 30 0.751 -5.472 -7.147 1.00 1.00 N ATOM 457 CA LEU A 30 0.514 -4.031 -7.219 1.00 1.00 C ATOM 458 C LEU A 30 0.983 -3.463 -8.559 1.00 1.00 C ATOM 459 O LEU A 30 1.004 -2.248 -8.751 1.00 1.00 O ATOM 460 CB LEU A 30 1.256 -3.325 -6.080 1.00 1.00 C ATOM 461 CG LEU A 30 0.530 -3.573 -4.751 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.396 -3.066 -3.598 1.00 1.00 C ATOM 463 CD2 LEU A 30 -0.818 -2.836 -4.731 1.00 1.00 C ATOM 0 H LEU A 30 1.718 -5.735 -6.958 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.558 -3.859 -7.125 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.280 -3.692 -6.019 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.313 -2.255 -6.279 1.00 1.00 H new ATOM 0 HG LEU A 30 0.352 -4.643 -4.642 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.882 -3.241 -2.653 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.348 -3.597 -3.597 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.576 -1.998 -3.721 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.320 -3.022 -3.782 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.649 -1.766 -4.848 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.442 -3.197 -5.549 1.00 1.00 H new ATOM 475 N SER A 31 1.362 -4.346 -9.474 1.00 1.00 N ATOM 476 CA SER A 31 1.838 -3.916 -10.786 1.00 1.00 C ATOM 477 C SER A 31 0.763 -3.143 -11.554 1.00 1.00 C ATOM 478 O SER A 31 1.013 -2.031 -12.016 1.00 1.00 O ATOM 479 CB SER A 31 2.289 -5.126 -11.605 1.00 1.00 C ATOM 480 OG SER A 31 3.700 -5.077 -11.774 1.00 1.00 O ATOM 0 H SER A 31 1.350 -5.357 -9.336 1.00 1.00 H new ATOM 0 HA SER A 31 2.683 -3.247 -10.626 1.00 1.00 H new ATOM 0 HB2 SER A 31 2.003 -6.049 -11.100 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.794 -5.128 -12.576 1.00 1.00 H new ATOM 0 HG SER A 31 3.994 -5.852 -12.297 1.00 1.00 H new ATOM 486 N PRO A 32 -0.416 -3.699 -11.711 1.00 1.00 N ATOM 487 CA PRO A 32 -1.518 -3.024 -12.453 1.00 1.00 C ATOM 488 C PRO A 32 -2.208 -1.950 -11.618 1.00 1.00 C ATOM 489 O PRO A 32 -3.085 -1.239 -12.109 1.00 1.00 O ATOM 490 CB PRO A 32 -2.481 -4.166 -12.773 1.00 1.00 C ATOM 491 CG PRO A 32 -2.283 -5.164 -11.682 1.00 1.00 C ATOM 492 CD PRO A 32 -0.836 -5.020 -11.204 1.00 1.00 C ATOM 0 HA PRO A 32 -1.155 -2.499 -13.337 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.512 -3.814 -12.802 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.265 -4.601 -13.749 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -2.980 -4.984 -10.863 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.471 -6.175 -12.044 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.769 -5.069 -10.117 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.205 -5.817 -11.598 1.00 1.00 H new ATOM 500 N TYR A 33 -1.811 -1.841 -10.357 1.00 1.00 N ATOM 501 CA TYR A 33 -2.404 -0.852 -9.465 1.00 1.00 C ATOM 502 C TYR A 33 -1.512 0.381 -9.346 1.00 1.00 C ATOM 503 O TYR A 33 -1.995 1.483 -9.082 1.00 1.00 O ATOM 504 CB TYR A 33 -2.627 -1.464 -8.083 1.00 1.00 C ATOM 505 CG TYR A 33 -3.701 -2.522 -8.175 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.356 -3.848 -8.465 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.042 -2.175 -7.972 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.353 -4.827 -8.552 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.039 -3.153 -8.060 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.695 -4.480 -8.350 1.00 1.00 C ATOM 511 OH TYR A 33 -6.677 -5.444 -8.437 1.00 1.00 O ATOM 0 H TYR A 33 -1.087 -2.420 -9.931 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.362 -0.545 -9.885 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.700 -1.901 -7.712 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -2.921 -0.691 -7.373 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.321 -4.115 -8.621 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.307 -1.152 -7.747 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.087 -5.850 -8.775 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.074 -2.885 -7.904 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.552 -5.036 -8.269 1.00 1.00 H new ATOM 521 N ALA A 34 -0.211 0.193 -9.543 1.00 1.00 N ATOM 522 CA ALA A 34 0.728 1.305 -9.454 1.00 1.00 C ATOM 523 C ALA A 34 2.163 0.811 -9.616 1.00 1.00 C ATOM 524 O ALA A 34 2.402 -0.384 -9.795 1.00 1.00 O ATOM 525 CB ALA A 34 0.580 2.008 -8.104 1.00 1.00 C ATOM 0 H ALA A 34 0.213 -0.708 -9.763 1.00 1.00 H new ATOM 0 HA ALA A 34 0.504 2.008 -10.257 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.285 2.837 -8.046 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.436 2.388 -8.001 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.786 1.300 -7.301 1.00 1.00 H new ATOM 531 N SER A 35 3.112 1.741 -9.552 1.00 1.00 N ATOM 532 CA SER A 35 4.523 1.400 -9.690 1.00 1.00 C ATOM 533 C SER A 35 5.254 1.610 -8.369 1.00 1.00 C ATOM 534 O SER A 35 5.133 2.664 -7.744 1.00 1.00 O ATOM 535 CB SER A 35 5.166 2.268 -10.773 1.00 1.00 C ATOM 536 OG SER A 35 6.571 2.050 -10.777 1.00 1.00 O ATOM 0 H SER A 35 2.929 2.734 -9.406 1.00 1.00 H new ATOM 0 HA SER A 35 4.599 0.350 -9.973 1.00 1.00 H new ATOM 0 HB2 SER A 35 4.746 2.023 -11.748 1.00 1.00 H new ATOM 0 HB3 SER A 35 4.950 3.320 -10.588 1.00 1.00 H new ATOM 0 HG SER A 35 6.986 2.604 -11.471 1.00 1.00 H new ATOM 542 N LEU A 36 6.012 0.599 -7.951 1.00 1.00 N ATOM 543 CA LEU A 36 6.761 0.676 -6.702 1.00 1.00 C ATOM 544 C LEU A 36 8.260 0.693 -6.981 1.00 1.00 C ATOM 545 O LEU A 36 8.688 0.656 -8.135 1.00 1.00 O ATOM 546 CB LEU A 36 6.421 -0.518 -5.806 1.00 1.00 C ATOM 547 CG LEU A 36 5.708 -1.601 -6.622 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.701 -2.909 -5.829 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.264 -1.176 -6.904 1.00 1.00 C ATOM 0 H LEU A 36 6.123 -0.279 -8.457 1.00 1.00 H new ATOM 0 HA LEU A 36 6.483 1.598 -6.192 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.332 -0.924 -5.366 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.785 -0.195 -4.982 1.00 1.00 H new ATOM 0 HG LEU A 36 6.233 -1.742 -7.567 1.00 1.00 H new ATOM 0 HD11 LEU A 36 5.194 -3.682 -6.407 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.727 -3.219 -5.629 1.00 1.00 H new ATOM 0 HD13 LEU A 36 5.177 -2.759 -4.885 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.763 -1.951 -7.485 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.737 -1.031 -5.961 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.263 -0.243 -7.467 1.00 1.00 H new ATOM 561 N ALA A 37 9.055 0.745 -5.918 1.00 1.00 N ATOM 562 CA ALA A 37 10.505 0.766 -6.061 1.00 1.00 C ATOM 563 C ALA A 37 11.162 -0.005 -4.917 1.00 1.00 C ATOM 564 O ALA A 37 10.859 0.223 -3.746 1.00 1.00 O ATOM 565 CB ALA A 37 11.009 2.211 -6.080 1.00 1.00 C ATOM 0 H ALA A 37 8.722 0.773 -4.954 1.00 1.00 H new ATOM 0 HA ALA A 37 10.771 0.286 -7.003 1.00 1.00 H new ATOM 0 HB1 ALA A 37 12.094 2.217 -6.187 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.559 2.742 -6.918 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.734 2.705 -5.148 1.00 1.00 H new ATOM 571 N VAL A 38 12.052 -0.928 -5.269 1.00 1.00 N ATOM 572 CA VAL A 38 12.740 -1.745 -4.272 1.00 1.00 C ATOM 573 C VAL A 38 13.316 -0.888 -3.144 1.00 1.00 C ATOM 574 O VAL A 38 13.292 -1.287 -1.980 1.00 1.00 O ATOM 575 CB VAL A 38 13.871 -2.529 -4.937 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.281 -3.698 -4.040 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.392 -3.066 -6.287 1.00 1.00 C ATOM 0 H VAL A 38 12.314 -1.129 -6.234 1.00 1.00 H new ATOM 0 HA VAL A 38 12.010 -2.431 -3.843 1.00 1.00 H new ATOM 0 HB VAL A 38 14.727 -1.872 -5.089 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.088 -4.256 -4.516 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.622 -3.316 -3.078 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.426 -4.356 -3.886 1.00 1.00 H new ATOM 0 HG21 VAL A 38 14.198 -3.625 -6.763 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.535 -3.722 -6.134 1.00 1.00 H new ATOM 0 HG23 VAL A 38 13.101 -2.233 -6.927 1.00 1.00 H new ATOM 587 N ASN A 39 13.848 0.279 -3.493 1.00 1.00 N ATOM 588 CA ASN A 39 14.443 1.167 -2.495 1.00 1.00 C ATOM 589 C ASN A 39 13.386 2.028 -1.807 1.00 1.00 C ATOM 590 O ASN A 39 13.718 2.902 -1.006 1.00 1.00 O ATOM 591 CB ASN A 39 15.488 2.069 -3.157 1.00 1.00 C ATOM 592 CG ASN A 39 14.970 3.502 -3.230 1.00 1.00 C ATOM 593 OD1 ASN A 39 13.980 3.773 -3.907 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.591 4.443 -2.570 1.00 1.00 N ATOM 0 H ASN A 39 13.881 0.631 -4.450 1.00 1.00 H new ATOM 0 HA ASN A 39 14.918 0.544 -1.737 1.00 1.00 H new ATOM 0 HB2 ASN A 39 16.418 2.038 -2.590 1.00 1.00 H new ATOM 0 HB3 ASN A 39 15.713 1.704 -4.159 1.00 1.00 H new ATOM 0 HD21 ASN A 39 15.255 5.405 -2.616 1.00 1.00 H new ATOM 0 HD22 ASN A 39 16.412 4.216 -2.009 1.00 1.00 H new ATOM 601 N ASN A 40 12.117 1.780 -2.125 1.00 1.00 N ATOM 602 CA ASN A 40 11.020 2.545 -1.529 1.00 1.00 C ATOM 603 C ASN A 40 10.093 1.633 -0.726 1.00 1.00 C ATOM 604 O ASN A 40 9.101 2.092 -0.166 1.00 1.00 O ATOM 605 CB ASN A 40 10.211 3.243 -2.633 1.00 1.00 C ATOM 606 CG ASN A 40 9.914 4.700 -2.280 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.107 5.131 -1.144 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.435 5.483 -3.207 1.00 1.00 N ATOM 0 H ASN A 40 11.823 1.062 -2.787 1.00 1.00 H new ATOM 0 HA ASN A 40 11.449 3.289 -0.858 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.764 3.201 -3.571 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.274 2.709 -2.791 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.219 6.456 -2.991 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.276 5.122 -4.148 1.00 1.00 H new ATOM 615 N ILE A 41 10.420 0.342 -0.676 1.00 1.00 N ATOM 616 CA ILE A 41 9.602 -0.612 0.059 1.00 1.00 C ATOM 617 C ILE A 41 10.470 -1.494 0.949 1.00 1.00 C ATOM 618 O ILE A 41 11.493 -2.022 0.510 1.00 1.00 O ATOM 619 CB ILE A 41 8.814 -1.480 -0.920 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.760 -2.433 -1.657 1.00 1.00 C ATOM 621 CG2 ILE A 41 8.102 -0.584 -1.938 1.00 1.00 C ATOM 622 CD1 ILE A 41 9.021 -3.080 -2.829 1.00 1.00 C ATOM 0 H ILE A 41 11.238 -0.061 -1.132 1.00 1.00 H new ATOM 0 HA ILE A 41 8.909 -0.058 0.692 1.00 1.00 H new ATOM 0 HB ILE A 41 8.079 -2.064 -0.365 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.632 -1.889 -2.019 1.00 1.00 H new ATOM 0 HG13 ILE A 41 10.124 -3.201 -0.974 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.540 -1.203 -2.637 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.419 0.087 -1.417 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.840 0.002 -2.485 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.694 -3.758 -3.354 1.00 1.00 H new ATOM 0 HD12 ILE A 41 8.163 -3.638 -2.455 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.679 -2.306 -3.515 1.00 1.00 H new ATOM 634 N ARG A 42 10.048 -1.648 2.200 1.00 1.00 N ATOM 635 CA ARG A 42 10.781 -2.471 3.156 1.00 1.00 C ATOM 636 C ARG A 42 9.881 -3.575 3.698 1.00 1.00 C ATOM 637 O ARG A 42 9.102 -3.357 4.626 1.00 1.00 O ATOM 638 CB ARG A 42 11.286 -1.607 4.313 1.00 1.00 C ATOM 639 CG ARG A 42 12.146 -2.462 5.246 1.00 1.00 C ATOM 640 CD ARG A 42 12.733 -1.581 6.350 1.00 1.00 C ATOM 641 NE ARG A 42 13.832 -0.776 5.825 1.00 1.00 N ATOM 642 CZ ARG A 42 14.736 -0.237 6.636 1.00 1.00 C ATOM 643 NH1 ARG A 42 14.651 -0.426 7.925 1.00 1.00 N ATOM 644 NH2 ARG A 42 15.708 0.481 6.144 1.00 1.00 N ATOM 0 H ARG A 42 9.204 -1.215 2.575 1.00 1.00 H new ATOM 0 HA ARG A 42 11.632 -2.922 2.646 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.868 -0.769 3.929 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.444 -1.185 4.861 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.545 -3.259 5.683 1.00 1.00 H new ATOM 0 HG3 ARG A 42 12.948 -2.940 4.683 1.00 1.00 H new ATOM 0 HD2 ARG A 42 11.958 -0.930 6.756 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.089 -2.204 7.171 1.00 1.00 H new ATOM 0 HE ARG A 42 13.907 -0.625 4.819 1.00 1.00 H new ATOM 0 HH11 ARG A 42 13.891 -0.987 8.309 1.00 1.00 H new ATOM 0 HH12 ARG A 42 15.345 -0.012 8.548 1.00 1.00 H new ATOM 0 HH21 ARG A 42 15.774 0.629 5.137 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.402 0.895 6.767 1.00 1.00 H new ATOM 658 N LEU A 43 9.990 -4.759 3.108 1.00 1.00 N ATOM 659 CA LEU A 43 9.178 -5.892 3.538 1.00 1.00 C ATOM 660 C LEU A 43 9.887 -6.657 4.650 1.00 1.00 C ATOM 661 O LEU A 43 10.798 -7.447 4.397 1.00 1.00 O ATOM 662 CB LEU A 43 8.915 -6.822 2.344 1.00 1.00 C ATOM 663 CG LEU A 43 7.448 -7.272 2.326 1.00 1.00 C ATOM 664 CD1 LEU A 43 7.161 -8.012 1.021 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.190 -8.215 3.504 1.00 1.00 C ATOM 0 H LEU A 43 10.627 -4.960 2.337 1.00 1.00 H new ATOM 0 HA LEU A 43 8.227 -5.522 3.921 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.155 -6.306 1.414 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.568 -7.693 2.403 1.00 1.00 H new ATOM 0 HG LEU A 43 6.800 -6.399 2.405 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.119 -8.333 1.006 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.348 -7.348 0.177 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.810 -8.884 0.947 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.148 -8.535 3.492 1.00 1.00 H new ATOM 0 HD22 LEU A 43 7.839 -9.087 3.421 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.399 -7.695 4.439 1.00 1.00 H new ATOM 677 N ILE A 44 9.462 -6.411 5.884 1.00 1.00 N ATOM 678 CA ILE A 44 10.056 -7.073 7.037 1.00 1.00 C ATOM 679 C ILE A 44 9.893 -8.584 6.924 1.00 1.00 C ATOM 680 O ILE A 44 8.887 -9.068 6.409 1.00 1.00 O ATOM 681 CB ILE A 44 9.389 -6.578 8.322 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.541 -5.059 8.419 1.00 1.00 C ATOM 683 CG2 ILE A 44 10.052 -7.234 9.535 1.00 1.00 C ATOM 684 CD1 ILE A 44 8.699 -4.535 9.583 1.00 1.00 C ATOM 0 H ILE A 44 8.710 -5.760 6.110 1.00 1.00 H new ATOM 0 HA ILE A 44 11.119 -6.834 7.066 1.00 1.00 H new ATOM 0 HB ILE A 44 8.331 -6.841 8.304 1.00 1.00 H new ATOM 0 HG12 ILE A 44 10.589 -4.796 8.567 1.00 1.00 H new ATOM 0 HG13 ILE A 44 9.224 -4.591 7.487 1.00 1.00 H new ATOM 0 HG21 ILE A 44 9.574 -6.878 10.448 1.00 1.00 H new ATOM 0 HG22 ILE A 44 9.945 -8.317 9.467 1.00 1.00 H new ATOM 0 HG23 ILE A 44 11.111 -6.975 9.555 1.00 1.00 H new ATOM 0 HD11 ILE A 44 8.807 -3.453 9.652 1.00 1.00 H new ATOM 0 HD12 ILE A 44 7.651 -4.785 9.416 1.00 1.00 H new ATOM 0 HD13 ILE A 44 9.037 -4.994 10.512 1.00 1.00 H new ATOM 696 N LYS A 45 10.895 -9.321 7.400 1.00 1.00 N ATOM 697 CA LYS A 45 10.863 -10.781 7.347 1.00 1.00 C ATOM 698 C LYS A 45 10.960 -11.369 8.753 1.00 1.00 C ATOM 699 O LYS A 45 11.583 -10.781 9.637 1.00 1.00 O ATOM 700 CB LYS A 45 12.025 -11.292 6.492 1.00 1.00 C ATOM 701 CG LYS A 45 11.473 -11.983 5.241 1.00 1.00 C ATOM 702 CD LYS A 45 12.624 -12.344 4.296 1.00 1.00 C ATOM 703 CE LYS A 45 12.398 -11.675 2.937 1.00 1.00 C ATOM 704 NZ LYS A 45 13.570 -11.938 2.056 1.00 1.00 N ATOM 0 H LYS A 45 11.737 -8.932 7.825 1.00 1.00 H new ATOM 0 HA LYS A 45 9.919 -11.094 6.902 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.673 -10.463 6.207 1.00 1.00 H new ATOM 0 HB3 LYS A 45 12.634 -11.989 7.067 1.00 1.00 H new ATOM 0 HG2 LYS A 45 10.926 -12.883 5.523 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.766 -11.326 4.734 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.573 -12.017 4.721 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.684 -13.426 4.175 1.00 1.00 H new ATOM 0 HE2 LYS A 45 11.489 -12.061 2.476 1.00 1.00 H new ATOM 0 HE3 LYS A 45 12.260 -10.602 3.066 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 13.419 -11.485 1.132 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.429 -11.550 2.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.682 -12.964 1.924 1.00 1.00 H new ATOM 718 N ASP A 46 10.337 -12.530 8.949 1.00 1.00 N ATOM 719 CA ASP A 46 10.357 -13.190 10.251 1.00 1.00 C ATOM 720 C ASP A 46 11.230 -14.440 10.209 1.00 1.00 C ATOM 721 O ASP A 46 11.395 -15.058 9.157 1.00 1.00 O ATOM 722 CB ASP A 46 8.934 -13.576 10.662 1.00 1.00 C ATOM 723 CG ASP A 46 8.895 -13.918 12.147 1.00 1.00 C ATOM 724 OD1 ASP A 46 9.296 -13.080 12.938 1.00 1.00 O ATOM 725 OD2 ASP A 46 8.468 -15.013 12.472 1.00 1.00 O ATOM 0 H ASP A 46 9.816 -13.029 8.228 1.00 1.00 H new ATOM 0 HA ASP A 46 10.773 -12.495 10.981 1.00 1.00 H new ATOM 0 HB2 ASP A 46 8.250 -12.754 10.452 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.596 -14.430 10.075 1.00 1.00 H new ATOM 730 N LYS A 47 11.790 -14.803 11.359 1.00 1.00 N ATOM 731 CA LYS A 47 12.647 -15.980 11.442 1.00 1.00 C ATOM 732 C LYS A 47 11.828 -17.222 11.781 1.00 1.00 C ATOM 733 O LYS A 47 12.329 -18.345 11.710 1.00 1.00 O ATOM 734 CB LYS A 47 13.721 -15.767 12.510 1.00 1.00 C ATOM 735 CG LYS A 47 15.033 -16.410 12.053 1.00 1.00 C ATOM 736 CD LYS A 47 16.038 -16.397 13.206 1.00 1.00 C ATOM 737 CE LYS A 47 16.277 -14.955 13.657 1.00 1.00 C ATOM 738 NZ LYS A 47 15.274 -14.587 14.697 1.00 1.00 N ATOM 0 H LYS A 47 11.667 -14.303 12.240 1.00 1.00 H new ATOM 0 HA LYS A 47 13.121 -16.129 10.472 1.00 1.00 H new ATOM 0 HB2 LYS A 47 13.868 -14.701 12.685 1.00 1.00 H new ATOM 0 HB3 LYS A 47 13.400 -16.204 13.456 1.00 1.00 H new ATOM 0 HG2 LYS A 47 14.853 -17.434 11.725 1.00 1.00 H new ATOM 0 HG3 LYS A 47 15.437 -15.868 11.198 1.00 1.00 H new ATOM 0 HD2 LYS A 47 15.661 -16.992 14.038 1.00 1.00 H new ATOM 0 HD3 LYS A 47 16.977 -16.851 12.889 1.00 1.00 H new ATOM 0 HE2 LYS A 47 17.286 -14.850 14.056 1.00 1.00 H new ATOM 0 HE3 LYS A 47 16.199 -14.279 12.806 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 14.678 -13.810 14.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 14.677 -15.412 14.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 15.766 -14.282 15.561 1.00 1.00 H new ATOM 752 N GLN A 48 10.570 -17.017 12.153 1.00 1.00 N ATOM 753 CA GLN A 48 9.695 -18.131 12.506 1.00 1.00 C ATOM 754 C GLN A 48 9.129 -18.790 11.252 1.00 1.00 C ATOM 755 O GLN A 48 9.313 -19.986 11.031 1.00 1.00 O ATOM 756 CB GLN A 48 8.548 -17.637 13.389 1.00 1.00 C ATOM 757 CG GLN A 48 8.111 -18.761 14.332 1.00 1.00 C ATOM 758 CD GLN A 48 9.026 -18.801 15.552 1.00 1.00 C ATOM 759 OE1 GLN A 48 10.190 -19.187 15.443 1.00 1.00 O ATOM 760 NE2 GLN A 48 8.565 -18.425 16.713 1.00 1.00 N ATOM 0 H GLN A 48 10.134 -16.097 12.218 1.00 1.00 H new ATOM 0 HA GLN A 48 10.282 -18.868 13.054 1.00 1.00 H new ATOM 0 HB2 GLN A 48 8.866 -16.768 13.965 1.00 1.00 H new ATOM 0 HB3 GLN A 48 7.709 -17.320 12.770 1.00 1.00 H new ATOM 0 HG2 GLN A 48 7.079 -18.604 14.646 1.00 1.00 H new ATOM 0 HG3 GLN A 48 8.143 -19.718 13.811 1.00 1.00 H new ATOM 0 HE21 GLN A 48 7.600 -18.106 16.800 1.00 1.00 H new ATOM 0 HE22 GLN A 48 9.169 -18.450 17.534 1.00 1.00 H new ATOM 769 N THR A 49 8.440 -18.001 10.432 1.00 1.00 N ATOM 770 CA THR A 49 7.851 -18.520 9.202 1.00 1.00 C ATOM 771 C THR A 49 8.698 -18.122 7.998 1.00 1.00 C ATOM 772 O THR A 49 8.235 -18.167 6.858 1.00 1.00 O ATOM 773 CB THR A 49 6.427 -17.983 9.036 1.00 1.00 C ATOM 774 OG1 THR A 49 6.104 -17.150 10.141 1.00 1.00 O ATOM 775 CG2 THR A 49 5.443 -19.152 8.972 1.00 1.00 C ATOM 0 H THR A 49 8.277 -17.007 10.595 1.00 1.00 H new ATOM 0 HA THR A 49 7.818 -19.608 9.264 1.00 1.00 H new ATOM 0 HB THR A 49 6.362 -17.405 8.114 1.00 1.00 H new ATOM 0 HG1 THR A 49 5.193 -16.804 10.035 1.00 1.00 H new ATOM 0 HG21 THR A 49 4.430 -18.768 8.854 1.00 1.00 H new ATOM 0 HG22 THR A 49 5.691 -19.790 8.124 1.00 1.00 H new ATOM 0 HG23 THR A 49 5.506 -19.732 9.893 1.00 1.00 H new ATOM 783 N GLN A 50 9.941 -17.733 8.260 1.00 1.00 N ATOM 784 CA GLN A 50 10.850 -17.329 7.193 1.00 1.00 C ATOM 785 C GLN A 50 10.146 -16.385 6.225 1.00 1.00 C ATOM 786 O GLN A 50 10.485 -16.324 5.043 1.00 1.00 O ATOM 787 CB GLN A 50 11.347 -18.563 6.437 1.00 1.00 C ATOM 788 CG GLN A 50 12.835 -18.403 6.114 1.00 1.00 C ATOM 789 CD GLN A 50 13.673 -18.673 7.359 1.00 1.00 C ATOM 790 OE1 GLN A 50 14.847 -19.030 7.252 1.00 1.00 O ATOM 791 NE2 GLN A 50 13.140 -18.520 8.540 1.00 1.00 N ATOM 0 H GLN A 50 10.341 -17.689 9.197 1.00 1.00 H new ATOM 0 HA GLN A 50 11.699 -16.810 7.637 1.00 1.00 H new ATOM 0 HB2 GLN A 50 11.189 -19.458 7.038 1.00 1.00 H new ATOM 0 HB3 GLN A 50 10.777 -18.692 5.517 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.119 -19.092 5.319 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.029 -17.395 5.747 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.168 -18.224 8.626 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.696 -18.696 9.377 1.00 1.00 H new ATOM 800 N GLN A 51 9.166 -15.652 6.741 1.00 1.00 N ATOM 801 CA GLN A 51 8.412 -14.709 5.922 1.00 1.00 C ATOM 802 C GLN A 51 7.795 -13.622 6.796 1.00 1.00 C ATOM 803 O GLN A 51 7.724 -13.765 8.018 1.00 1.00 O ATOM 804 CB GLN A 51 7.297 -15.441 5.164 1.00 1.00 C ATOM 805 CG GLN A 51 7.904 -16.382 4.117 1.00 1.00 C ATOM 806 CD GLN A 51 6.833 -16.816 3.121 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.444 -16.039 2.249 1.00 1.00 O ATOM 808 NE2 GLN A 51 6.332 -18.018 3.200 1.00 1.00 N ATOM 0 H GLN A 51 8.876 -15.692 7.718 1.00 1.00 H new ATOM 0 HA GLN A 51 9.097 -14.251 5.208 1.00 1.00 H new ATOM 0 HB2 GLN A 51 6.683 -16.009 5.863 1.00 1.00 H new ATOM 0 HB3 GLN A 51 6.641 -14.718 4.679 1.00 1.00 H new ATOM 0 HG2 GLN A 51 8.717 -15.880 3.593 1.00 1.00 H new ATOM 0 HG3 GLN A 51 8.332 -17.256 4.607 1.00 1.00 H new ATOM 0 HE21 GLN A 51 6.657 -18.659 3.924 1.00 1.00 H new ATOM 0 HE22 GLN A 51 5.616 -18.316 2.538 1.00 1.00 H new ATOM 817 N ASN A 52 7.356 -12.538 6.161 1.00 1.00 N ATOM 818 CA ASN A 52 6.743 -11.419 6.874 1.00 1.00 C ATOM 819 C ASN A 52 5.928 -11.904 8.070 1.00 1.00 C ATOM 820 O ASN A 52 5.281 -12.949 8.013 1.00 1.00 O ATOM 821 CB ASN A 52 5.831 -10.644 5.919 1.00 1.00 C ATOM 822 CG ASN A 52 4.388 -11.108 6.093 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.499 -10.291 6.335 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.103 -12.376 5.986 1.00 1.00 N ATOM 0 H ASN A 52 7.413 -12.410 5.151 1.00 1.00 H new ATOM 0 HA ASN A 52 7.539 -10.772 7.242 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.905 -9.575 6.118 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.151 -10.800 4.889 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.141 -12.694 6.103 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.842 -13.050 5.785 1.00 1.00 H new ATOM 831 N ARG A 53 5.967 -11.134 9.153 1.00 1.00 N ATOM 832 CA ARG A 53 5.230 -11.492 10.357 1.00 1.00 C ATOM 833 C ARG A 53 3.801 -10.954 10.293 1.00 1.00 C ATOM 834 O ARG A 53 3.184 -10.681 11.323 1.00 1.00 O ATOM 835 CB ARG A 53 5.941 -10.920 11.589 1.00 1.00 C ATOM 836 CG ARG A 53 5.572 -11.736 12.832 1.00 1.00 C ATOM 837 CD ARG A 53 6.005 -10.978 14.086 1.00 1.00 C ATOM 838 NE ARG A 53 4.934 -10.098 14.538 1.00 1.00 N ATOM 839 CZ ARG A 53 3.917 -10.564 15.256 1.00 1.00 C ATOM 840 NH1 ARG A 53 3.872 -11.829 15.576 1.00 1.00 N ATOM 841 NH2 ARG A 53 2.966 -9.758 15.640 1.00 1.00 N ATOM 0 H ARG A 53 6.497 -10.265 9.221 1.00 1.00 H new ATOM 0 HA ARG A 53 5.191 -12.579 10.430 1.00 1.00 H new ATOM 0 HB2 ARG A 53 7.020 -10.940 11.438 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.658 -9.877 11.731 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.497 -11.916 12.856 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.058 -12.711 12.798 1.00 1.00 H new ATOM 0 HD2 ARG A 53 6.263 -11.684 14.875 1.00 1.00 H new ATOM 0 HD3 ARG A 53 6.901 -10.394 13.875 1.00 1.00 H new ATOM 0 HE ARG A 53 4.966 -9.107 14.299 1.00 1.00 H new ATOM 0 HH11 ARG A 53 4.616 -12.458 15.275 1.00 1.00 H new ATOM 0 HH12 ARG A 53 3.092 -12.188 16.127 1.00 1.00 H new ATOM 0 HH21 ARG A 53 3.003 -8.770 15.389 1.00 1.00 H new ATOM 0 HH22 ARG A 53 2.186 -10.116 16.191 1.00 1.00 H new ATOM 855 N GLY A 54 3.274 -10.809 9.075 1.00 1.00 N ATOM 856 CA GLY A 54 1.913 -10.311 8.900 1.00 1.00 C ATOM 857 C GLY A 54 1.888 -8.791 8.753 1.00 1.00 C ATOM 858 O GLY A 54 0.911 -8.144 9.130 1.00 1.00 O ATOM 0 H GLY A 54 3.764 -11.027 8.207 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.467 -10.770 8.018 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.304 -10.605 9.755 1.00 1.00 H new ATOM 862 N PHE A 55 2.960 -8.223 8.204 1.00 1.00 N ATOM 863 CA PHE A 55 3.031 -6.774 8.021 1.00 1.00 C ATOM 864 C PHE A 55 4.033 -6.405 6.927 1.00 1.00 C ATOM 865 O PHE A 55 5.049 -7.079 6.749 1.00 1.00 O ATOM 866 CB PHE A 55 3.440 -6.102 9.335 1.00 1.00 C ATOM 867 CG PHE A 55 2.417 -6.412 10.399 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.220 -5.686 10.453 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.663 -7.424 11.336 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.271 -5.971 11.442 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.713 -7.709 12.325 1.00 1.00 C ATOM 872 CZ PHE A 55 0.518 -6.983 12.378 1.00 1.00 C ATOM 0 H PHE A 55 3.781 -8.735 7.882 1.00 1.00 H new ATOM 0 HA PHE A 55 2.044 -6.423 7.719 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.423 -6.456 9.646 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.519 -5.024 9.195 1.00 1.00 H new ATOM 0 HD1 PHE A 55 1.029 -4.906 9.731 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.585 -7.984 11.296 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.651 -5.411 11.483 1.00 1.00 H new ATOM 0 HE2 PHE A 55 1.903 -8.489 13.047 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.214 -7.203 13.141 1.00 1.00 H new ATOM 882 N ALA A 56 3.739 -5.327 6.200 1.00 1.00 N ATOM 883 CA ALA A 56 4.618 -4.870 5.127 1.00 1.00 C ATOM 884 C ALA A 56 4.446 -3.369 4.898 1.00 1.00 C ATOM 885 O ALA A 56 3.329 -2.851 4.939 1.00 1.00 O ATOM 886 CB ALA A 56 4.302 -5.623 3.835 1.00 1.00 C ATOM 0 H ALA A 56 2.903 -4.758 6.334 1.00 1.00 H new ATOM 0 HA ALA A 56 5.649 -5.068 5.419 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.962 -5.276 3.041 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.452 -6.691 3.990 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.266 -5.440 3.551 1.00 1.00 H new ATOM 892 N PHE A 57 5.559 -2.677 4.660 1.00 1.00 N ATOM 893 CA PHE A 57 5.523 -1.233 4.427 1.00 1.00 C ATOM 894 C PHE A 57 5.799 -0.918 2.958 1.00 1.00 C ATOM 895 O PHE A 57 6.643 -1.554 2.326 1.00 1.00 O ATOM 896 CB PHE A 57 6.566 -0.539 5.305 1.00 1.00 C ATOM 897 CG PHE A 57 5.894 0.050 6.522 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.150 1.231 6.408 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.017 -0.584 7.763 1.00 1.00 C ATOM 900 CE1 PHE A 57 4.529 1.777 7.538 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.394 -0.037 8.892 1.00 1.00 C ATOM 902 CZ PHE A 57 4.650 1.142 8.779 1.00 1.00 C ATOM 0 H PHE A 57 6.491 -3.089 4.623 1.00 1.00 H new ATOM 0 HA PHE A 57 4.529 -0.866 4.683 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.332 -1.252 5.610 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.068 0.246 4.739 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.055 1.720 5.450 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.592 -1.494 7.850 1.00 1.00 H new ATOM 0 HE1 PHE A 57 3.956 2.689 7.452 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.488 -0.526 9.850 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.169 1.562 9.650 1.00 1.00 H new ATOM 912 N VAL A 58 5.082 0.067 2.420 1.00 1.00 N ATOM 913 CA VAL A 58 5.261 0.453 1.022 1.00 1.00 C ATOM 914 C VAL A 58 5.131 1.965 0.855 1.00 1.00 C ATOM 915 O VAL A 58 4.149 2.562 1.296 1.00 1.00 O ATOM 916 CB VAL A 58 4.215 -0.247 0.155 1.00 1.00 C ATOM 917 CG1 VAL A 58 2.865 0.462 0.301 1.00 1.00 C ATOM 918 CG2 VAL A 58 4.655 -0.205 -1.309 1.00 1.00 C ATOM 0 H VAL A 58 4.379 0.607 2.925 1.00 1.00 H new ATOM 0 HA VAL A 58 6.261 0.152 0.708 1.00 1.00 H new ATOM 0 HB VAL A 58 4.116 -1.284 0.477 1.00 1.00 H new ATOM 0 HG11 VAL A 58 2.122 -0.040 -0.319 1.00 1.00 H new ATOM 0 HG12 VAL A 58 2.549 0.431 1.344 1.00 1.00 H new ATOM 0 HG13 VAL A 58 2.963 1.500 -0.018 1.00 1.00 H new ATOM 0 HG21 VAL A 58 3.909 -0.704 -1.928 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.756 0.832 -1.629 1.00 1.00 H new ATOM 0 HG23 VAL A 58 5.614 -0.713 -1.416 1.00 1.00 H new ATOM 928 N GLN A 59 6.119 2.575 0.201 1.00 1.00 N ATOM 929 CA GLN A 59 6.097 4.018 -0.032 1.00 1.00 C ATOM 930 C GLN A 59 5.940 4.306 -1.520 1.00 1.00 C ATOM 931 O GLN A 59 6.346 3.501 -2.359 1.00 1.00 O ATOM 932 CB GLN A 59 7.386 4.655 0.485 1.00 1.00 C ATOM 933 CG GLN A 59 7.319 6.172 0.293 1.00 1.00 C ATOM 934 CD GLN A 59 8.413 6.850 1.112 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.270 7.535 0.554 1.00 1.00 O ATOM 936 NE2 GLN A 59 8.435 6.700 2.407 1.00 1.00 N ATOM 0 H GLN A 59 6.938 2.097 -0.174 1.00 1.00 H new ATOM 0 HA GLN A 59 5.250 4.445 0.505 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.524 4.417 1.540 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.245 4.248 -0.049 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.437 6.419 -0.762 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.341 6.543 0.600 1.00 1.00 H new ATOM 0 HE21 GLN A 59 7.724 6.132 2.867 1.00 1.00 H new ATOM 0 HE22 GLN A 59 9.164 7.151 2.960 1.00 1.00 H new ATOM 945 N LEU A 60 5.349 5.455 -1.842 1.00 1.00 N ATOM 946 CA LEU A 60 5.144 5.833 -3.239 1.00 1.00 C ATOM 947 C LEU A 60 6.066 6.992 -3.612 1.00 1.00 C ATOM 948 O LEU A 60 6.654 7.633 -2.740 1.00 1.00 O ATOM 949 CB LEU A 60 3.680 6.249 -3.465 1.00 1.00 C ATOM 950 CG LEU A 60 2.811 5.038 -3.845 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.245 4.472 -5.202 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.934 3.943 -2.782 1.00 1.00 C ATOM 0 H LEU A 60 5.007 6.134 -1.162 1.00 1.00 H new ATOM 0 HA LEU A 60 5.375 4.974 -3.869 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.287 6.713 -2.560 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.630 6.998 -4.255 1.00 1.00 H new ATOM 0 HG LEU A 60 1.775 5.370 -3.908 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.620 3.616 -5.456 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.137 5.240 -5.968 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.287 4.157 -5.148 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.314 3.092 -3.063 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.974 3.625 -2.706 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.602 4.332 -1.819 1.00 1.00 H new ATOM 964 N SER A 61 6.197 7.248 -4.911 1.00 1.00 N ATOM 965 CA SER A 61 7.062 8.324 -5.387 1.00 1.00 C ATOM 966 C SER A 61 6.608 9.678 -4.845 1.00 1.00 C ATOM 967 O SER A 61 7.434 10.537 -4.533 1.00 1.00 O ATOM 968 CB SER A 61 7.055 8.359 -6.914 1.00 1.00 C ATOM 969 OG SER A 61 5.987 7.554 -7.398 1.00 1.00 O ATOM 0 H SER A 61 5.719 6.730 -5.648 1.00 1.00 H new ATOM 0 HA SER A 61 8.072 8.129 -5.027 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.941 9.385 -7.265 1.00 1.00 H new ATOM 0 HB3 SER A 61 8.006 7.993 -7.302 1.00 1.00 H new ATOM 0 HG SER A 61 5.979 7.576 -8.378 1.00 1.00 H new ATOM 975 N SER A 62 5.297 9.858 -4.745 1.00 1.00 N ATOM 976 CA SER A 62 4.736 11.112 -4.245 1.00 1.00 C ATOM 977 C SER A 62 3.743 10.847 -3.119 1.00 1.00 C ATOM 978 O SER A 62 3.535 9.702 -2.719 1.00 1.00 O ATOM 979 CB SER A 62 4.034 11.855 -5.381 1.00 1.00 C ATOM 980 OG SER A 62 4.836 11.789 -6.554 1.00 1.00 O ATOM 0 H SER A 62 4.603 9.156 -5.002 1.00 1.00 H new ATOM 0 HA SER A 62 5.551 11.723 -3.856 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.056 11.413 -5.570 1.00 1.00 H new ATOM 0 HB3 SER A 62 3.865 12.895 -5.101 1.00 1.00 H new ATOM 0 HG SER A 62 4.387 12.263 -7.284 1.00 1.00 H new ATOM 986 N ALA A 63 3.135 11.914 -2.612 1.00 1.00 N ATOM 987 CA ALA A 63 2.167 11.788 -1.530 1.00 1.00 C ATOM 988 C ALA A 63 0.798 11.392 -2.076 1.00 1.00 C ATOM 989 O ALA A 63 0.165 10.464 -1.574 1.00 1.00 O ATOM 990 CB ALA A 63 2.053 13.112 -0.772 1.00 1.00 C ATOM 0 H ALA A 63 3.294 12.870 -2.931 1.00 1.00 H new ATOM 0 HA ALA A 63 2.513 11.009 -0.850 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.327 13.008 0.035 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.024 13.377 -0.354 1.00 1.00 H new ATOM 0 HB3 ALA A 63 1.726 13.896 -1.456 1.00 1.00 H new ATOM 996 N MET A 64 0.349 12.102 -3.104 1.00 1.00 N ATOM 997 CA MET A 64 -0.948 11.816 -3.708 1.00 1.00 C ATOM 998 C MET A 64 -1.012 10.367 -4.184 1.00 1.00 C ATOM 999 O MET A 64 -2.043 9.707 -4.056 1.00 1.00 O ATOM 1000 CB MET A 64 -1.193 12.756 -4.891 1.00 1.00 C ATOM 1001 CG MET A 64 -0.388 14.042 -4.695 1.00 1.00 C ATOM 1002 SD MET A 64 -1.109 15.363 -5.701 1.00 1.00 S ATOM 1003 CE MET A 64 -0.302 16.752 -4.866 1.00 1.00 C ATOM 0 H MET A 64 0.858 12.874 -3.534 1.00 1.00 H new ATOM 0 HA MET A 64 -1.720 11.972 -2.954 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.901 12.270 -5.822 1.00 1.00 H new ATOM 0 HB3 MET A 64 -2.255 12.988 -4.971 1.00 1.00 H new ATOM 0 HG2 MET A 64 -0.390 14.329 -3.643 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.652 13.880 -4.979 1.00 1.00 H new ATOM 0 HE1 MET A 64 -0.611 17.687 -5.334 1.00 1.00 H new ATOM 0 HE2 MET A 64 -0.589 16.761 -3.814 1.00 1.00 H new ATOM 0 HE3 MET A 64 0.780 16.646 -4.946 1.00 1.00 H new ATOM 1013 N ASP A 65 0.096 9.881 -4.735 1.00 1.00 N ATOM 1014 CA ASP A 65 0.155 8.511 -5.228 1.00 1.00 C ATOM 1015 C ASP A 65 -0.250 7.526 -4.135 1.00 1.00 C ATOM 1016 O ASP A 65 -0.846 6.486 -4.415 1.00 1.00 O ATOM 1017 CB ASP A 65 1.572 8.190 -5.708 1.00 1.00 C ATOM 1018 CG ASP A 65 1.746 8.642 -7.153 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.617 9.830 -7.401 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.001 7.794 -7.992 1.00 1.00 O ATOM 0 H ASP A 65 0.959 10.412 -4.851 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.542 8.416 -6.061 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.303 8.689 -5.071 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.758 7.119 -5.628 1.00 1.00 H new ATOM 1025 N ALA A 66 0.075 7.860 -2.890 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.261 6.995 -1.765 1.00 1.00 C ATOM 1027 C ALA A 66 -1.775 6.868 -1.623 1.00 1.00 C ATOM 1028 O ALA A 66 -2.317 5.763 -1.632 1.00 1.00 O ATOM 1029 CB ALA A 66 0.329 7.561 -0.473 1.00 1.00 C ATOM 0 H ALA A 66 0.567 8.717 -2.636 1.00 1.00 H new ATOM 0 HA ALA A 66 0.161 6.007 -1.952 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.072 6.908 0.361 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.413 7.623 -0.565 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -0.078 8.556 -0.293 1.00 1.00 H new ATOM 1035 N SER A 67 -2.451 8.005 -1.494 1.00 1.00 N ATOM 1036 CA SER A 67 -3.902 8.004 -1.353 1.00 1.00 C ATOM 1037 C SER A 67 -4.555 7.378 -2.579 1.00 1.00 C ATOM 1038 O SER A 67 -5.550 6.662 -2.468 1.00 1.00 O ATOM 1039 CB SER A 67 -4.409 9.436 -1.177 1.00 1.00 C ATOM 1040 OG SER A 67 -4.141 10.177 -2.359 1.00 1.00 O ATOM 0 H SER A 67 -2.022 8.930 -1.484 1.00 1.00 H new ATOM 0 HA SER A 67 -4.165 7.416 -0.474 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.479 9.432 -0.971 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.921 9.904 -0.322 1.00 1.00 H new ATOM 0 HG SER A 67 -3.287 9.885 -2.742 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.987 7.654 -3.750 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.517 7.116 -4.991 1.00 1.00 C ATOM 1048 C GLN A 68 -4.579 5.593 -4.937 1.00 1.00 C ATOM 1049 O GLN A 68 -5.635 4.997 -5.144 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.630 7.549 -6.160 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.470 8.297 -7.195 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.653 8.535 -8.461 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -2.830 9.449 -8.507 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -3.836 7.765 -9.498 1.00 1.00 N ATOM 0 H GLN A 68 -3.163 8.245 -3.861 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.527 7.502 -5.131 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.824 8.189 -5.800 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.164 6.677 -6.618 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.365 7.722 -7.433 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.804 9.250 -6.784 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.519 7.008 -9.457 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -3.296 7.920 -10.350 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.439 4.969 -4.654 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.379 3.512 -4.576 1.00 1.00 C ATOM 1065 C LEU A 69 -4.308 3.004 -3.479 1.00 1.00 C ATOM 1066 O LEU A 69 -4.797 1.877 -3.534 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.943 3.060 -4.283 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.627 1.788 -5.075 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.187 1.358 -4.791 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.581 0.669 -4.654 1.00 1.00 C ATOM 0 H LEU A 69 -2.553 5.443 -4.477 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.698 3.099 -5.533 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.242 3.850 -4.551 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.821 2.874 -3.216 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.748 1.986 -6.140 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.040 0.453 -5.354 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.496 2.153 -5.091 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.069 1.162 -3.725 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.354 -0.235 -5.219 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.462 0.471 -3.589 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.609 0.973 -4.853 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.552 3.849 -2.483 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.430 3.477 -1.378 1.00 1.00 C ATOM 1084 C LEU A 70 -6.890 3.644 -1.783 1.00 1.00 C ATOM 1085 O LEU A 70 -7.744 2.847 -1.401 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.125 4.347 -0.150 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.809 3.465 1.070 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.301 4.343 2.214 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.069 2.728 1.533 1.00 1.00 C ATOM 0 H LEU A 70 -4.159 4.788 -2.417 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.253 2.431 -1.127 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.280 5.002 -0.362 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.978 4.989 0.069 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.048 2.737 0.789 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.077 3.719 3.079 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.397 4.865 1.899 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.066 5.072 2.481 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.831 2.108 2.397 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.835 3.454 1.807 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.439 2.098 0.725 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.171 4.681 -2.565 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.533 4.931 -3.018 1.00 1.00 C ATOM 1103 C GLN A 71 -8.855 4.074 -4.240 1.00 1.00 C ATOM 1104 O GLN A 71 -10.014 3.747 -4.493 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.702 6.409 -3.367 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.059 6.624 -4.038 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.628 7.983 -3.645 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.845 8.166 -3.626 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -9.814 8.952 -3.327 1.00 1.00 N ATOM 0 H GLN A 71 -6.481 5.356 -2.895 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.220 4.668 -2.214 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.630 7.017 -2.465 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.901 6.730 -4.032 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -9.951 6.566 -5.121 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.749 5.833 -3.743 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -8.806 8.797 -3.344 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.186 9.864 -3.062 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.821 3.716 -4.993 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.003 2.900 -6.189 1.00 1.00 C ATOM 1120 C ILE A 72 -8.233 1.438 -5.816 1.00 1.00 C ATOM 1121 O ILE A 72 -9.059 0.757 -6.423 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.768 3.010 -7.085 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.845 4.301 -7.904 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.714 1.809 -8.031 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.485 4.581 -8.544 1.00 1.00 C ATOM 0 H ILE A 72 -6.854 3.976 -4.799 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.879 3.266 -6.725 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.871 3.025 -6.466 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.610 4.210 -8.675 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.136 5.134 -7.264 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.834 1.888 -8.669 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.659 0.889 -7.449 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.611 1.793 -8.650 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.540 5.500 -9.127 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.731 4.690 -7.764 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.213 3.752 -9.198 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.495 0.961 -4.819 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.626 -0.424 -4.380 1.00 1.00 C ATOM 1139 C LEU A 73 -8.867 -0.606 -3.511 1.00 1.00 C ATOM 1140 O LEU A 73 -9.501 -1.660 -3.533 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.378 -0.840 -3.596 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.351 -2.363 -3.440 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.606 -2.989 -4.620 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.631 -2.726 -2.141 1.00 1.00 C ATOM 0 H LEU A 73 -6.805 1.508 -4.303 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.729 -1.055 -5.262 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.481 -0.502 -4.115 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.377 -0.364 -2.615 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.373 -2.741 -3.414 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.589 -4.073 -4.506 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.113 -2.730 -5.549 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.584 -2.611 -4.647 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.610 -3.810 -2.027 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.610 -2.345 -2.172 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.158 -2.283 -1.296 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.213 0.427 -2.748 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.389 0.357 -1.881 1.00 1.00 C ATOM 1158 C GLN A 74 -11.654 0.709 -2.662 1.00 1.00 C ATOM 1159 O GLN A 74 -12.767 0.467 -2.195 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.246 1.314 -0.692 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.123 0.828 0.229 1.00 1.00 C ATOM 1162 CD GLN A 74 -9.023 1.744 1.443 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.215 2.955 1.325 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.739 1.236 2.612 1.00 1.00 N ATOM 0 H GLN A 74 -8.706 1.311 -2.711 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.467 -0.665 -1.509 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.028 2.321 -1.047 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.185 1.367 -0.140 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.319 -0.196 0.549 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.176 0.818 -0.310 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.580 0.233 2.707 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.676 1.842 3.430 1.00 1.00 H new ATOM 1173 N SER A 75 -11.476 1.271 -3.855 1.00 1.00 N ATOM 1174 CA SER A 75 -12.613 1.642 -4.688 1.00 1.00 C ATOM 1175 C SER A 75 -13.294 0.393 -5.231 1.00 1.00 C ATOM 1176 O SER A 75 -14.487 0.400 -5.530 1.00 1.00 O ATOM 1177 CB SER A 75 -12.146 2.519 -5.850 1.00 1.00 C ATOM 1178 OG SER A 75 -12.226 3.886 -5.469 1.00 1.00 O ATOM 0 H SER A 75 -10.564 1.477 -4.262 1.00 1.00 H new ATOM 0 HA SER A 75 -13.325 2.201 -4.080 1.00 1.00 H new ATOM 0 HB2 SER A 75 -11.122 2.265 -6.123 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.765 2.338 -6.729 1.00 1.00 H new ATOM 0 HG SER A 75 -11.507 4.092 -4.836 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.523 -0.683 -5.345 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.058 -1.945 -5.841 1.00 1.00 C ATOM 1186 C LEU A 76 -14.015 -2.541 -4.812 1.00 1.00 C ATOM 1187 O LEU A 76 -13.742 -2.517 -3.613 1.00 1.00 O ATOM 1188 CB LEU A 76 -11.921 -2.934 -6.124 1.00 1.00 C ATOM 1189 CG LEU A 76 -10.942 -2.331 -7.139 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.780 -3.301 -7.368 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.662 -2.082 -8.470 1.00 1.00 C ATOM 0 H LEU A 76 -11.533 -0.707 -5.103 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.597 -1.755 -6.769 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.397 -3.173 -5.199 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.328 -3.868 -6.510 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.561 -1.387 -6.750 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.085 -2.872 -8.089 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.262 -3.477 -6.425 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.165 -4.245 -7.753 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -10.962 -1.654 -9.188 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.047 -3.025 -8.857 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.489 -1.390 -8.312 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.139 -3.062 -5.287 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.131 -3.648 -4.388 1.00 1.00 C ATOM 1205 C HIS A 77 -15.514 -4.748 -3.523 1.00 1.00 C ATOM 1206 O HIS A 77 -15.587 -4.683 -2.297 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.323 -4.203 -5.174 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.537 -3.356 -4.899 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.752 -3.908 -4.525 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -18.735 -1.999 -4.930 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.620 -2.896 -4.347 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.051 -1.711 -4.581 1.00 1.00 N ATOM 0 H HIS A 77 -15.387 -3.092 -6.276 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.486 -2.854 -3.731 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.101 -4.205 -6.241 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.514 -5.237 -4.886 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -17.984 -1.266 -5.186 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -21.651 -3.026 -4.051 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -20.488 -0.791 -4.518 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.910 -5.750 -4.120 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.278 -6.866 -3.356 1.00 1.00 C ATOM 1222 C PRO A 78 -12.909 -6.469 -2.781 1.00 1.00 C ATOM 1223 O PRO A 78 -11.973 -6.229 -3.544 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.113 -7.961 -4.408 1.00 1.00 C ATOM 1225 CG PRO A 78 -13.953 -7.234 -5.701 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.758 -5.940 -5.578 1.00 1.00 C ATOM 0 HA PRO A 78 -14.877 -7.167 -2.496 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.244 -8.584 -4.196 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.981 -8.620 -4.431 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -12.903 -7.019 -5.897 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.316 -7.838 -6.533 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.237 -5.100 -6.038 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.726 -6.023 -6.073 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.755 -6.393 -1.473 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.450 -6.021 -0.852 1.00 1.00 C ATOM 1236 C PRO A 79 -10.292 -6.821 -1.447 1.00 1.00 C ATOM 1237 O PRO A 79 -10.485 -7.618 -2.364 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.633 -6.352 0.629 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.103 -6.292 0.874 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.787 -6.647 -0.448 1.00 1.00 C ATOM 0 HA PRO A 79 -11.200 -4.974 -1.025 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.237 -7.340 0.862 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.101 -5.639 1.259 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.393 -6.991 1.659 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.399 -5.297 1.207 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.112 -7.687 -0.461 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.673 -6.034 -0.615 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.092 -6.614 -0.915 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.928 -7.335 -1.408 1.00 1.00 C ATOM 1250 C LEU A 80 -7.837 -8.695 -0.725 1.00 1.00 C ATOM 1251 O LEU A 80 -7.746 -8.778 0.498 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.658 -6.517 -1.138 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.429 -7.235 -1.712 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.556 -7.362 -3.233 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.171 -6.429 -1.375 1.00 1.00 C ATOM 0 H LEU A 80 -8.903 -5.962 -0.153 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.026 -7.487 -2.483 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.752 -5.528 -1.587 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.533 -6.370 -0.065 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.361 -8.231 -1.276 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.679 -7.873 -3.630 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.451 -7.935 -3.477 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.629 -6.369 -3.676 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.295 -6.935 -1.781 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.249 -5.433 -1.811 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.072 -6.344 -0.293 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.877 -9.759 -1.521 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.813 -11.109 -0.970 1.00 1.00 C ATOM 1269 C LYS A 81 -6.920 -12.004 -1.822 1.00 1.00 C ATOM 1270 O LYS A 81 -7.155 -12.177 -3.018 1.00 1.00 O ATOM 1271 CB LYS A 81 -9.227 -11.701 -0.893 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.200 -13.048 -0.148 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.695 -14.183 -1.056 1.00 1.00 C ATOM 1274 CE LYS A 81 -9.622 -15.392 -0.909 1.00 1.00 C ATOM 1275 NZ LYS A 81 -10.981 -15.036 -1.403 1.00 1.00 N ATOM 0 H LYS A 81 -7.952 -9.715 -2.537 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.385 -11.055 0.031 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.892 -11.007 -0.380 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.626 -11.841 -1.898 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -8.557 -12.968 0.728 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.201 -13.286 0.212 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -8.671 -13.852 -2.094 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.675 -14.456 -0.785 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.228 -16.237 -1.473 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.672 -15.701 0.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.420 -15.870 -1.844 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.568 -14.717 -0.606 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -10.906 -14.272 -2.105 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.905 -12.579 -1.187 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.979 -13.473 -1.873 1.00 1.00 C ATOM 1291 C ILE A 82 -4.897 -14.795 -1.121 1.00 1.00 C ATOM 1292 O ILE A 82 -5.138 -14.833 0.085 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.590 -12.830 -1.949 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.486 -11.726 -0.898 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -3.380 -12.229 -3.339 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.049 -11.206 -0.842 1.00 1.00 C ATOM 0 H ILE A 82 -5.702 -12.442 -0.197 1.00 1.00 H new ATOM 0 HA ILE A 82 -5.339 -13.655 -2.886 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.828 -13.587 -1.762 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -4.169 -10.912 -1.142 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -3.783 -12.110 0.078 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -2.392 -11.772 -3.392 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -3.457 -13.015 -4.091 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -4.141 -11.471 -3.527 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.976 -10.418 -0.092 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.377 -12.022 -0.578 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.769 -10.806 -1.816 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.572 -15.873 -1.837 1.00 1.00 N ATOM 1309 CA ASP A 83 -4.474 -17.195 -1.218 1.00 1.00 C ATOM 1310 C ASP A 83 -3.943 -17.088 0.209 1.00 1.00 C ATOM 1311 O ASP A 83 -2.749 -16.879 0.426 1.00 1.00 O ATOM 1312 CB ASP A 83 -3.544 -18.086 -2.043 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.965 -18.060 -3.507 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.216 -16.976 -4.009 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -4.033 -19.120 -4.106 1.00 1.00 O ATOM 0 H ASP A 83 -4.374 -15.857 -2.837 1.00 1.00 H new ATOM 0 HA ASP A 83 -5.471 -17.634 -1.187 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -2.515 -17.741 -1.945 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -3.575 -19.108 -1.665 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.843 -17.227 1.176 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.466 -17.139 2.579 1.00 1.00 C ATOM 1322 C GLY A 84 -5.596 -16.543 3.413 1.00 1.00 C ATOM 1323 O GLY A 84 -6.136 -17.201 4.301 1.00 1.00 O ATOM 0 H GLY A 84 -5.835 -17.400 1.014 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.216 -18.131 2.955 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.571 -16.525 2.681 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.952 -15.294 3.121 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.022 -14.627 3.855 1.00 1.00 C ATOM 1329 C LYS A 85 -7.281 -13.229 3.295 1.00 1.00 C ATOM 1330 O LYS A 85 -6.650 -12.810 2.323 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.651 -14.523 5.337 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.154 -14.236 5.474 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.920 -13.295 6.656 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.468 -13.411 7.122 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.256 -14.739 7.763 1.00 1.00 N ATOM 0 H LYS A 85 -5.520 -14.729 2.389 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.930 -15.219 3.744 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.228 -13.730 5.812 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -6.902 -15.451 5.851 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.607 -15.167 5.623 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.774 -13.786 4.557 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.139 -12.268 6.365 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.596 -13.546 7.473 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.793 -13.292 6.275 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.237 -12.613 7.828 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.495 -14.667 8.468 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.134 -15.043 8.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -2.991 -15.436 7.038 1.00 1.00 H new ATOM 1349 N THR A 86 -8.215 -12.515 3.920 1.00 1.00 N ATOM 1350 CA THR A 86 -8.559 -11.163 3.484 1.00 1.00 C ATOM 1351 C THR A 86 -7.432 -10.188 3.812 1.00 1.00 C ATOM 1352 O THR A 86 -6.780 -10.307 4.850 1.00 1.00 O ATOM 1353 CB THR A 86 -9.849 -10.706 4.171 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.216 -9.425 3.678 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.626 -10.629 5.682 1.00 1.00 C ATOM 0 H THR A 86 -8.745 -12.848 4.726 1.00 1.00 H new ATOM 0 HA THR A 86 -8.707 -11.177 2.404 1.00 1.00 H new ATOM 0 HB THR A 86 -10.646 -11.419 3.961 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.042 -9.131 4.115 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.545 -10.304 6.169 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.344 -11.612 6.059 1.00 1.00 H new ATOM 0 HG23 THR A 86 -8.830 -9.916 5.896 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.209 -9.227 2.917 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.155 -8.235 3.111 1.00 1.00 C ATOM 1365 C ILE A 87 -6.733 -6.821 3.085 1.00 1.00 C ATOM 1366 O ILE A 87 -7.538 -6.481 2.210 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.096 -8.373 2.012 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.531 -9.801 2.004 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -3.967 -7.371 2.258 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.355 -9.911 2.977 1.00 1.00 C ATOM 0 H ILE A 87 -7.742 -9.115 2.054 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.696 -8.410 4.084 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.556 -8.168 1.045 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.311 -10.510 2.283 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.206 -10.065 0.998 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.215 -7.471 1.475 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.370 -6.358 2.247 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.510 -7.569 3.228 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.964 -10.928 2.962 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.570 -9.216 2.679 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.692 -9.667 3.984 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.319 -6.004 4.054 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.799 -4.627 4.149 1.00 1.00 C ATOM 1384 C GLY A 88 -5.673 -3.628 3.890 1.00 1.00 C ATOM 1385 O GLY A 88 -4.511 -4.006 3.751 1.00 1.00 O ATOM 0 H GLY A 88 -5.655 -6.271 4.781 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.601 -4.469 3.428 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.221 -4.454 5.139 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.033 -2.346 3.831 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.054 -1.290 3.592 1.00 1.00 C ATOM 1391 C VAL A 89 -5.255 -0.144 4.580 1.00 1.00 C ATOM 1392 O VAL A 89 -6.387 0.228 4.890 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.196 -0.761 2.166 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.001 0.134 1.829 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.239 -1.935 1.188 1.00 1.00 C ATOM 0 H VAL A 89 -6.991 -2.016 3.945 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.056 -1.706 3.729 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.117 -0.184 2.086 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.104 0.510 0.811 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.967 0.973 2.524 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.080 -0.443 1.911 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.340 -1.557 0.171 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.318 -2.512 1.271 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.090 -2.574 1.424 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.152 0.414 5.067 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.222 1.520 6.015 1.00 1.00 C ATOM 1407 C ASP A 90 -3.082 2.504 5.777 1.00 1.00 C ATOM 1408 O ASP A 90 -2.085 2.170 5.137 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.148 0.987 7.447 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.128 -0.538 7.438 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -3.047 -1.097 7.363 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -5.195 -1.125 7.512 1.00 1.00 O ATOM 0 H ASP A 90 -3.206 0.122 4.823 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.170 2.038 5.869 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.253 1.367 7.939 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -5.003 1.344 8.021 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.235 3.718 6.296 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.209 4.742 6.134 1.00 1.00 C ATOM 1419 C PHE A 91 -1.065 4.510 7.115 1.00 1.00 C ATOM 1420 O PHE A 91 -1.150 3.646 7.990 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.819 6.123 6.377 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.484 6.612 5.113 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.706 6.959 4.002 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.879 6.721 5.051 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.321 7.413 2.830 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.494 7.175 3.878 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.715 7.521 2.768 1.00 1.00 C ATOM 0 H PHE A 91 -4.053 4.015 6.828 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.817 4.688 5.118 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.547 6.073 7.187 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.045 6.824 6.687 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.630 6.876 4.050 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.480 6.455 5.908 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.720 7.680 1.973 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.570 7.258 3.830 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.190 7.871 1.863 1.00 1.00 H new ATOM 1437 N ALA A 92 0.004 5.284 6.965 1.00 1.00 N ATOM 1438 CA ALA A 92 1.160 5.152 7.846 1.00 1.00 C ATOM 1439 C ALA A 92 0.774 5.476 9.285 1.00 1.00 C ATOM 1440 O ALA A 92 0.418 6.611 9.602 1.00 1.00 O ATOM 1441 CB ALA A 92 2.274 6.094 7.389 1.00 1.00 C ATOM 0 H ALA A 92 0.095 6.004 6.248 1.00 1.00 H new ATOM 0 HA ALA A 92 1.515 4.122 7.800 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.133 5.990 8.051 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.569 5.842 6.370 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.916 7.123 7.419 1.00 1.00 H new ATOM 1447 N LYS A 93 0.849 4.472 10.154 1.00 1.00 N ATOM 1448 CA LYS A 93 0.505 4.662 11.559 1.00 1.00 C ATOM 1449 C LYS A 93 1.767 4.825 12.402 1.00 1.00 C ATOM 1450 O LYS A 93 2.857 4.433 11.987 1.00 1.00 O ATOM 1451 CB LYS A 93 -0.300 3.465 12.067 1.00 1.00 C ATOM 1452 CG LYS A 93 -1.714 3.516 11.484 1.00 1.00 C ATOM 1453 CD LYS A 93 -2.632 4.283 12.436 1.00 1.00 C ATOM 1454 CE LYS A 93 -3.928 4.651 11.711 1.00 1.00 C ATOM 1455 NZ LYS A 93 -4.784 5.477 12.609 1.00 1.00 N ATOM 0 H LYS A 93 1.143 3.526 9.912 1.00 1.00 H new ATOM 0 HA LYS A 93 -0.097 5.567 11.647 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.190 2.535 11.779 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -0.344 3.478 13.156 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -1.699 4.000 10.508 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -2.093 2.505 11.332 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -2.854 3.675 13.313 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -2.133 5.185 12.791 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -3.702 5.202 10.798 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.460 3.747 11.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -5.665 5.727 12.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -5.010 4.936 13.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -4.276 6.346 12.871 1.00 1.00 H new ATOM 1469 N SER A 94 1.608 5.402 13.588 1.00 1.00 N ATOM 1470 CA SER A 94 2.741 5.611 14.483 1.00 1.00 C ATOM 1471 C SER A 94 3.145 4.301 15.151 1.00 1.00 C ATOM 1472 O SER A 94 2.345 3.675 15.847 1.00 1.00 O ATOM 1473 CB SER A 94 2.377 6.640 15.553 1.00 1.00 C ATOM 1474 OG SER A 94 2.954 7.895 15.213 1.00 1.00 O ATOM 0 H SER A 94 0.713 5.731 13.950 1.00 1.00 H new ATOM 0 HA SER A 94 3.581 5.980 13.895 1.00 1.00 H new ATOM 0 HB2 SER A 94 1.294 6.734 15.630 1.00 1.00 H new ATOM 0 HB3 SER A 94 2.739 6.312 16.527 1.00 1.00 H new ATOM 0 HG SER A 94 2.721 8.558 15.896 1.00 1.00 H new ATOM 1480 N ALA A 95 4.390 3.891 14.934 1.00 1.00 N ATOM 1481 CA ALA A 95 4.890 2.652 15.521 1.00 1.00 C ATOM 1482 C ALA A 95 4.147 1.451 14.947 1.00 1.00 C ATOM 1483 O ALA A 95 4.558 0.337 15.227 1.00 1.00 O ATOM 1484 CB ALA A 95 4.714 2.687 17.040 1.00 1.00 C ATOM 1485 OXT ALA A 95 3.178 1.661 14.237 1.00 1.00 O ATOM 0 H ALA A 95 5.067 4.394 14.361 1.00 1.00 H new ATOM 0 HA ALA A 95 5.949 2.558 15.281 1.00 1.00 H new ATOM 0 HB1 ALA A 95 5.089 1.759 17.471 1.00 1.00 H new ATOM 0 HB2 ALA A 95 5.270 3.529 17.451 1.00 1.00 H new ATOM 0 HB3 ALA A 95 3.657 2.798 17.281 1.00 1.00 H new TER 1491 ALA A 95