USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 980 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 6 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.17) USER MOD Set 1.2: B 686 GLN : amide:sc= 1.18 K(o=2.4,f=0.92) USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= 1.8 USER MOD Set 2.2: A 9 THR OG1 : rot 170:sc= 0.701 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.224 (180deg=-0.368) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.71 (180deg=0.658) USER MOD Single : A 2 GLN : amide:sc= -1.05 K(o=-1.1,f=0.11) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0.989 (180deg=0.946) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00813 USER MOD Single : A 25 ASN : amide:sc= -0.806! X(o=-0.81!,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 2.04 (180deg=1.54) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.984 (180deg=0.968) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 0.902 (180deg=0.721) USER MOD Single : A 40 GLN : amide:sc= 0.723 K(o=0.72,f=-5.5!) USER MOD Single : A 41 GLN : amide:sc= 0.926 K(o=0.93,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 2.08 K(o=2.1,f=-6.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.133 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.202 USER MOD Single : A 60 ASN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.385 X(o=0.38,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 54:sc= 0.692 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0522 X(o=-0.052,f=-0.44) USER MOD Single : B -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -3 GLY N :NH3+ -105:sc= 0.0117 (180deg=0) USER MOD Single : B 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc=0.000397 USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.2) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot -90:sc= 0.633 USER MOD Single : B 708 SER OG : rot 180:sc= 0.175 USER MOD Single : B 711 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.038) USER MOD Single : B 714 HIS : no HD1:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 715 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.304 1.592 0.360 1.00 0.00 N ATOM 2 CA MET A 1 2.113 1.540 -0.906 1.00 0.00 C ATOM 3 C MET A 1 1.841 2.766 -1.780 1.00 0.00 C ATOM 4 O MET A 1 0.884 3.478 -1.523 1.00 0.00 O ATOM 5 CB MET A 1 1.886 0.241 -1.719 1.00 0.00 C ATOM 6 CG MET A 1 0.529 0.034 -2.414 1.00 0.00 C ATOM 7 SD MET A 1 0.400 -1.625 -3.132 1.00 0.00 S ATOM 8 CE MET A 1 -0.754 -1.385 -4.509 1.00 0.00 C ATOM 0 H1 MET A 1 1.387 0.685 0.863 1.00 0.00 H new ATOM 0 H2 MET A 1 1.659 2.358 0.967 1.00 0.00 H new ATOM 0 H3 MET A 1 0.306 1.769 0.127 1.00 0.00 H new ATOM 0 HA MET A 1 3.159 1.543 -0.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.661 0.190 -2.484 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.046 -0.602 -1.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.276 0.185 -1.695 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.402 0.782 -3.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.034 -2.354 -4.922 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.646 -0.872 -4.151 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.277 -0.785 -5.283 1.00 0.00 H new ATOM 20 N GLN A 2 2.572 2.970 -2.886 1.00 0.00 N ATOM 21 CA GLN A 2 2.247 4.009 -3.872 1.00 0.00 C ATOM 22 C GLN A 2 2.233 3.430 -5.266 1.00 0.00 C ATOM 23 O GLN A 2 2.906 2.429 -5.504 1.00 0.00 O ATOM 24 CB GLN A 2 3.205 5.218 -3.751 1.00 0.00 C ATOM 25 CG GLN A 2 4.543 5.169 -4.518 1.00 0.00 C ATOM 26 CD GLN A 2 5.508 4.240 -3.811 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.342 4.634 -3.004 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.331 2.963 -4.080 1.00 0.00 N ATOM 0 H GLN A 2 3.400 2.423 -3.120 1.00 0.00 H new ATOM 0 HA GLN A 2 1.245 4.382 -3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.665 6.105 -4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.432 5.358 -2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.375 4.825 -5.539 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.971 6.169 -4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.625 2.678 -4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.900 2.259 -3.609 1.00 0.00 H new ATOM 37 N ILE A 3 1.573 4.111 -6.191 1.00 0.00 N ATOM 38 CA ILE A 3 1.539 3.743 -7.607 1.00 0.00 C ATOM 39 C ILE A 3 1.676 5.004 -8.436 1.00 0.00 C ATOM 40 O ILE A 3 1.382 6.093 -7.957 1.00 0.00 O ATOM 41 CB ILE A 3 0.244 2.970 -7.923 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.991 3.747 -7.421 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.344 1.556 -7.316 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.255 3.443 -8.215 1.00 0.00 C ATOM 0 H ILE A 3 1.035 4.951 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 3 2.368 3.079 -7.853 1.00 0.00 H new ATOM 0 HB ILE A 3 0.122 2.867 -9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.162 3.506 -6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.785 4.816 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.568 1.001 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.198 1.034 -7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.473 1.632 -6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.086 4.021 -7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.101 3.710 -9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.484 2.380 -8.142 1.00 0.00 H new ATOM 56 N PHE A 4 2.126 4.838 -9.669 1.00 0.00 N ATOM 57 CA PHE A 4 2.528 5.898 -10.574 1.00 0.00 C ATOM 58 C PHE A 4 1.506 5.974 -11.693 1.00 0.00 C ATOM 59 O PHE A 4 1.530 5.205 -12.643 1.00 0.00 O ATOM 60 CB PHE A 4 3.933 5.589 -11.109 1.00 0.00 C ATOM 61 CG PHE A 4 4.937 5.032 -10.124 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.200 5.748 -8.950 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.632 3.836 -10.379 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.129 5.272 -8.013 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.618 3.406 -9.475 1.00 0.00 C ATOM 66 CZ PHE A 4 6.873 4.124 -8.294 1.00 0.00 C ATOM 0 H PHE A 4 2.225 3.912 -10.085 1.00 0.00 H new ATOM 0 HA PHE A 4 2.567 6.863 -10.068 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.834 4.879 -11.930 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.345 6.507 -11.530 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.682 6.677 -8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.410 3.254 -11.261 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.269 5.792 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.187 2.513 -9.690 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.638 3.790 -7.609 1.00 0.00 H new ATOM 76 N VAL A 5 0.552 6.874 -11.598 1.00 0.00 N ATOM 77 CA VAL A 5 -0.460 7.008 -12.640 1.00 0.00 C ATOM 78 C VAL A 5 0.135 7.954 -13.665 1.00 0.00 C ATOM 79 O VAL A 5 0.215 9.157 -13.446 1.00 0.00 O ATOM 80 CB VAL A 5 -1.813 7.443 -12.066 1.00 0.00 C ATOM 81 CG1 VAL A 5 -2.881 7.501 -13.173 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.257 6.469 -10.969 1.00 0.00 C ATOM 0 H VAL A 5 0.450 7.523 -10.818 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.697 6.059 -13.120 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.699 8.439 -11.639 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.833 7.812 -12.744 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.576 8.217 -13.936 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.991 6.515 -13.624 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.219 6.787 -10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.352 5.467 -11.388 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.516 6.459 -10.170 1.00 0.00 H new ATOM 92 N LYS A 6 0.615 7.414 -14.781 1.00 0.00 N ATOM 93 CA LYS A 6 1.070 8.236 -15.887 1.00 0.00 C ATOM 94 C LYS A 6 -0.183 8.820 -16.511 1.00 0.00 C ATOM 95 O LYS A 6 -1.092 8.073 -16.877 1.00 0.00 O ATOM 96 CB LYS A 6 1.891 7.366 -16.854 1.00 0.00 C ATOM 97 CG LYS A 6 2.657 8.270 -17.837 1.00 0.00 C ATOM 98 CD LYS A 6 3.529 7.528 -18.863 1.00 0.00 C ATOM 99 CE LYS A 6 4.454 8.501 -19.626 1.00 0.00 C ATOM 100 NZ LYS A 6 5.453 7.788 -20.470 1.00 0.00 N ATOM 0 H LYS A 6 0.697 6.410 -14.939 1.00 0.00 H new ATOM 0 HA LYS A 6 1.730 9.049 -15.584 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.590 6.744 -16.295 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.232 6.692 -17.402 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.937 8.888 -18.374 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.292 8.946 -17.265 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.131 6.775 -18.354 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.890 7.000 -19.571 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.850 9.154 -20.256 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.975 9.139 -18.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.201 8.451 -20.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.873 7.007 -19.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.984 7.407 -21.317 1.00 0.00 H new ATOM 114 N THR A 7 -0.281 10.137 -16.623 1.00 0.00 N ATOM 115 CA THR A 7 -1.353 10.702 -17.406 1.00 0.00 C ATOM 116 C THR A 7 -1.093 10.378 -18.854 1.00 0.00 C ATOM 117 O THR A 7 0.023 10.071 -19.247 1.00 0.00 O ATOM 118 CB THR A 7 -1.515 12.202 -17.196 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.299 12.830 -17.516 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.882 12.482 -15.757 1.00 0.00 C ATOM 0 H THR A 7 0.352 10.812 -16.193 1.00 0.00 H new ATOM 0 HA THR A 7 -2.295 10.262 -17.079 1.00 0.00 H new ATOM 0 HB THR A 7 -2.309 12.586 -17.836 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.465 13.564 -18.143 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.996 13.556 -15.613 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.820 11.982 -15.517 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.094 12.110 -15.102 1.00 0.00 H new ATOM 128 N LEU A 8 -2.121 10.532 -19.664 1.00 0.00 N ATOM 129 CA LEU A 8 -1.960 10.490 -21.105 1.00 0.00 C ATOM 130 C LEU A 8 -1.064 11.668 -21.570 1.00 0.00 C ATOM 131 O LEU A 8 -0.627 11.601 -22.710 1.00 0.00 O ATOM 132 CB LEU A 8 -3.362 10.479 -21.738 1.00 0.00 C ATOM 133 CG LEU A 8 -3.954 9.201 -22.337 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.425 9.412 -22.721 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.278 8.797 -23.636 1.00 0.00 C ATOM 0 H LEU A 8 -3.079 10.688 -19.349 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.445 9.586 -21.431 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.058 10.824 -20.974 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.359 11.229 -22.529 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.818 8.440 -21.568 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.826 8.491 -23.145 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.997 9.683 -21.834 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.498 10.212 -23.458 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.737 7.885 -24.017 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.393 9.595 -24.370 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.218 8.621 -23.455 1.00 0.00 H new ATOM 147 N THR A 9 -0.761 12.737 -20.792 1.00 0.00 N ATOM 148 CA THR A 9 0.286 13.696 -21.211 1.00 0.00 C ATOM 149 C THR A 9 1.636 13.037 -21.008 1.00 0.00 C ATOM 150 O THR A 9 2.576 13.226 -21.778 1.00 0.00 O ATOM 151 CB THR A 9 0.352 15.001 -20.395 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.514 14.962 -19.289 1.00 0.00 O ATOM 153 CG2 THR A 9 0.077 16.221 -21.262 1.00 0.00 C ATOM 0 H THR A 9 -1.210 12.951 -19.902 1.00 0.00 H new ATOM 0 HA THR A 9 0.040 13.952 -22.241 1.00 0.00 H new ATOM 0 HB THR A 9 1.370 15.090 -20.016 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.334 15.728 -18.705 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.132 17.122 -20.651 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.819 16.276 -22.058 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.918 16.140 -21.699 1.00 0.00 H new ATOM 161 N GLY A 10 1.717 12.287 -19.919 1.00 0.00 N ATOM 162 CA GLY A 10 2.911 11.659 -19.445 1.00 0.00 C ATOM 163 C GLY A 10 3.422 12.323 -18.179 1.00 0.00 C ATOM 164 O GLY A 10 4.611 12.231 -17.882 1.00 0.00 O ATOM 0 H GLY A 10 0.909 12.100 -19.325 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.717 10.604 -19.251 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.679 11.705 -20.217 1.00 0.00 H new ATOM 168 N LYS A 11 2.532 12.997 -17.442 1.00 0.00 N ATOM 169 CA LYS A 11 2.871 13.472 -16.114 1.00 0.00 C ATOM 170 C LYS A 11 2.556 12.315 -15.215 1.00 0.00 C ATOM 171 O LYS A 11 1.413 11.874 -15.189 1.00 0.00 O ATOM 172 CB LYS A 11 2.056 14.722 -15.766 1.00 0.00 C ATOM 173 CG LYS A 11 2.333 15.189 -14.320 1.00 0.00 C ATOM 174 CD LYS A 11 1.399 14.673 -13.213 1.00 0.00 C ATOM 175 CE LYS A 11 -0.104 14.780 -13.506 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.631 16.172 -13.550 1.00 0.00 N ATOM 0 H LYS A 11 1.584 13.219 -17.746 1.00 0.00 H new ATOM 0 HA LYS A 11 3.914 13.775 -16.019 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.301 15.524 -16.462 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.993 14.510 -15.885 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.351 14.898 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.300 16.278 -14.307 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.639 13.628 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.612 15.224 -12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.309 14.298 -14.462 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.650 14.223 -12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.670 16.149 -13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.337 16.682 -12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.255 16.659 -14.388 1.00 0.00 H new ATOM 190 N THR A 12 3.526 11.812 -14.488 1.00 0.00 N ATOM 191 CA THR A 12 3.301 10.660 -13.651 1.00 0.00 C ATOM 192 C THR A 12 2.959 11.178 -12.267 1.00 0.00 C ATOM 193 O THR A 12 3.803 11.735 -11.567 1.00 0.00 O ATOM 194 CB THR A 12 4.516 9.740 -13.738 1.00 0.00 C ATOM 195 OG1 THR A 12 4.997 9.673 -15.074 1.00 0.00 O ATOM 196 CG2 THR A 12 4.083 8.336 -13.344 1.00 0.00 C ATOM 0 H THR A 12 4.476 12.182 -14.460 1.00 0.00 H new ATOM 0 HA THR A 12 2.463 10.039 -13.968 1.00 0.00 H new ATOM 0 HB THR A 12 5.296 10.126 -13.082 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.777 9.081 -15.112 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.938 7.662 -13.400 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.696 8.347 -12.325 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.304 7.991 -14.024 1.00 0.00 H new ATOM 204 N ILE A 13 1.681 11.040 -11.913 1.00 0.00 N ATOM 205 CA ILE A 13 1.180 11.404 -10.603 1.00 0.00 C ATOM 206 C ILE A 13 1.336 10.156 -9.758 1.00 0.00 C ATOM 207 O ILE A 13 0.707 9.137 -10.025 1.00 0.00 O ATOM 208 CB ILE A 13 -0.260 11.983 -10.660 1.00 0.00 C ATOM 209 CG1 ILE A 13 -1.063 11.830 -9.344 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.149 11.605 -11.851 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.286 10.891 -9.338 1.00 0.00 C ATOM 0 H ILE A 13 0.965 10.669 -12.538 1.00 0.00 H new ATOM 0 HA ILE A 13 1.740 12.225 -10.155 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.010 13.032 -10.820 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.375 11.484 -8.573 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.404 12.821 -9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.121 12.087 -11.747 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.678 11.936 -12.776 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.281 10.523 -11.878 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.740 10.891 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.014 11.237 -10.071 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.969 9.879 -9.591 1.00 0.00 H new ATOM 223 N THR A 14 2.192 10.234 -8.757 1.00 0.00 N ATOM 224 CA THR A 14 2.373 9.139 -7.824 1.00 0.00 C ATOM 225 C THR A 14 1.343 9.355 -6.717 1.00 0.00 C ATOM 226 O THR A 14 1.122 10.492 -6.295 1.00 0.00 O ATOM 227 CB THR A 14 3.828 9.126 -7.342 1.00 0.00 C ATOM 228 OG1 THR A 14 4.691 9.106 -8.467 1.00 0.00 O ATOM 229 CG2 THR A 14 4.145 7.898 -6.465 1.00 0.00 C ATOM 0 H THR A 14 2.776 11.049 -8.569 1.00 0.00 H new ATOM 0 HA THR A 14 2.207 8.155 -8.262 1.00 0.00 H new ATOM 0 HB THR A 14 3.979 10.022 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.623 9.099 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.188 7.936 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.500 7.902 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.972 6.987 -7.038 1.00 0.00 H new ATOM 237 N LEU A 15 0.696 8.281 -6.259 1.00 0.00 N ATOM 238 CA LEU A 15 -0.304 8.361 -5.210 1.00 0.00 C ATOM 239 C LEU A 15 -0.166 7.176 -4.298 1.00 0.00 C ATOM 240 O LEU A 15 0.249 6.123 -4.758 1.00 0.00 O ATOM 241 CB LEU A 15 -1.721 8.450 -5.789 1.00 0.00 C ATOM 242 CG LEU A 15 -2.308 7.201 -6.462 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.782 7.053 -6.102 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.203 7.311 -7.959 1.00 0.00 C ATOM 0 H LEU A 15 0.855 7.336 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.138 9.274 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.393 8.741 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.732 9.259 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.744 6.337 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.187 6.164 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.885 6.957 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.330 7.932 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.624 6.417 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.754 8.188 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.155 7.407 -8.244 1.00 0.00 H new ATOM 256 N GLU A 16 -0.568 7.324 -3.043 1.00 0.00 N ATOM 257 CA GLU A 16 -0.454 6.262 -2.059 1.00 0.00 C ATOM 258 C GLU A 16 -1.823 5.625 -1.874 1.00 0.00 C ATOM 259 O GLU A 16 -2.855 6.290 -1.755 1.00 0.00 O ATOM 260 CB GLU A 16 0.233 6.741 -0.775 1.00 0.00 C ATOM 261 CG GLU A 16 1.767 6.693 -0.938 1.00 0.00 C ATOM 262 CD GLU A 16 2.481 7.261 0.299 1.00 0.00 C ATOM 263 OE1 GLU A 16 2.758 6.491 1.249 1.00 0.00 O ATOM 264 OE2 GLU A 16 2.783 8.480 0.316 1.00 0.00 O ATOM 0 H GLU A 16 -0.981 8.183 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 16 0.213 5.476 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.083 7.758 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.070 6.114 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.085 5.663 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.058 7.262 -1.821 1.00 0.00 H new ATOM 271 N VAL A 17 -1.790 4.301 -1.931 1.00 0.00 N ATOM 272 CA VAL A 17 -2.898 3.364 -2.006 1.00 0.00 C ATOM 273 C VAL A 17 -2.531 2.120 -1.183 1.00 0.00 C ATOM 274 O VAL A 17 -1.496 2.076 -0.515 1.00 0.00 O ATOM 275 CB VAL A 17 -3.151 3.012 -3.493 1.00 0.00 C ATOM 276 CG1 VAL A 17 -3.504 4.230 -4.353 1.00 0.00 C ATOM 277 CG2 VAL A 17 -1.933 2.317 -4.128 1.00 0.00 C ATOM 0 H VAL A 17 -0.896 3.809 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.814 3.793 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.007 2.337 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.669 3.913 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.410 4.697 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.684 4.948 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.149 2.086 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.068 2.978 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.719 1.394 -3.589 1.00 0.00 H new ATOM 287 N GLU A 18 -3.318 1.065 -1.326 1.00 0.00 N ATOM 288 CA GLU A 18 -3.074 -0.278 -0.814 1.00 0.00 C ATOM 289 C GLU A 18 -3.352 -1.226 -1.980 1.00 0.00 C ATOM 290 O GLU A 18 -4.050 -0.827 -2.913 1.00 0.00 O ATOM 291 CB GLU A 18 -4.035 -0.607 0.345 1.00 0.00 C ATOM 292 CG GLU A 18 -3.998 0.354 1.540 1.00 0.00 C ATOM 293 CD GLU A 18 -2.753 0.190 2.446 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.637 -0.099 1.952 1.00 0.00 O ATOM 295 OE2 GLU A 18 -2.892 0.372 3.681 1.00 0.00 O ATOM 0 H GLU A 18 -4.200 1.126 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.056 -0.369 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.052 -0.629 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.810 -1.611 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.032 1.379 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.894 0.203 2.142 1.00 0.00 H new ATOM 302 N PRO A 19 -2.891 -2.486 -1.978 1.00 0.00 N ATOM 303 CA PRO A 19 -3.332 -3.447 -2.987 1.00 0.00 C ATOM 304 C PRO A 19 -4.867 -3.624 -3.004 1.00 0.00 C ATOM 305 O PRO A 19 -5.463 -3.925 -4.033 1.00 0.00 O ATOM 306 CB PRO A 19 -2.596 -4.749 -2.664 1.00 0.00 C ATOM 307 CG PRO A 19 -1.470 -4.363 -1.705 1.00 0.00 C ATOM 308 CD PRO A 19 -1.989 -3.101 -1.017 1.00 0.00 C ATOM 0 HA PRO A 19 -3.094 -3.099 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.268 -5.475 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.199 -5.209 -3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.269 -5.156 -0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.539 -4.173 -2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.508 -3.343 -0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.171 -2.429 -0.759 1.00 0.00 H new ATOM 316 N SER A 20 -5.531 -3.360 -1.883 1.00 0.00 N ATOM 317 CA SER A 20 -6.960 -3.514 -1.668 1.00 0.00 C ATOM 318 C SER A 20 -7.704 -2.221 -1.980 1.00 0.00 C ATOM 319 O SER A 20 -8.915 -2.151 -1.772 1.00 0.00 O ATOM 320 CB SER A 20 -7.164 -3.976 -0.215 1.00 0.00 C ATOM 321 OG SER A 20 -6.306 -3.257 0.672 1.00 0.00 O ATOM 0 H SER A 20 -5.054 -3.012 -1.052 1.00 0.00 H new ATOM 0 HA SER A 20 -7.374 -4.262 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.204 -3.826 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.962 -5.044 -0.137 1.00 0.00 H new ATOM 0 HG SER A 20 -6.453 -3.565 1.591 1.00 0.00 H new ATOM 327 N ASP A 21 -7.011 -1.198 -2.491 1.00 0.00 N ATOM 328 CA ASP A 21 -7.653 0.035 -2.863 1.00 0.00 C ATOM 329 C ASP A 21 -8.521 -0.255 -4.070 1.00 0.00 C ATOM 330 O ASP A 21 -8.024 -0.794 -5.067 1.00 0.00 O ATOM 331 CB ASP A 21 -6.634 1.129 -3.217 1.00 0.00 C ATOM 332 CG ASP A 21 -6.381 2.122 -2.079 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.374 1.735 -0.892 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.226 3.319 -2.407 1.00 0.00 O ATOM 0 H ASP A 21 -6.004 -1.215 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.240 0.403 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.690 0.659 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.988 1.674 -4.092 1.00 0.00 H new ATOM 339 N THR A 22 -9.804 0.096 -4.001 1.00 0.00 N ATOM 340 CA THR A 22 -10.665 -0.019 -5.162 1.00 0.00 C ATOM 341 C THR A 22 -10.348 1.072 -6.159 1.00 0.00 C ATOM 342 O THR A 22 -9.956 2.181 -5.784 1.00 0.00 O ATOM 343 CB THR A 22 -12.159 0.018 -4.833 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.398 1.001 -3.841 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.651 -1.340 -4.363 1.00 0.00 C ATOM 0 H THR A 22 -10.260 0.457 -3.163 1.00 0.00 H new ATOM 0 HA THR A 22 -10.459 -1.002 -5.586 1.00 0.00 H new ATOM 0 HB THR A 22 -12.710 0.274 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.355 1.027 -3.630 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.716 -1.283 -4.137 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.486 -2.078 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.105 -1.635 -3.467 1.00 0.00 H new ATOM 353 N ILE A 23 -10.587 0.762 -7.426 1.00 0.00 N ATOM 354 CA ILE A 23 -10.491 1.708 -8.521 1.00 0.00 C ATOM 355 C ILE A 23 -11.380 2.917 -8.269 1.00 0.00 C ATOM 356 O ILE A 23 -10.928 4.017 -8.545 1.00 0.00 O ATOM 357 CB ILE A 23 -10.821 0.997 -9.842 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.953 -0.250 -10.109 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.733 1.943 -11.054 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.539 -0.285 -9.530 1.00 0.00 C ATOM 0 H ILE A 23 -10.859 -0.175 -7.724 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.471 2.086 -8.593 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.852 0.665 -9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.491 -1.118 -9.726 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.873 -0.375 -11.189 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.975 1.393 -11.963 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.439 2.763 -10.927 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.722 2.343 -11.130 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.057 -1.224 -9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.962 0.549 -9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.588 -0.205 -8.444 1.00 0.00 H new ATOM 372 N GLU A 24 -12.578 2.764 -7.710 1.00 0.00 N ATOM 373 CA GLU A 24 -13.437 3.895 -7.346 1.00 0.00 C ATOM 374 C GLU A 24 -12.662 4.885 -6.472 1.00 0.00 C ATOM 375 O GLU A 24 -12.574 6.075 -6.775 1.00 0.00 O ATOM 376 CB GLU A 24 -14.680 3.347 -6.619 1.00 0.00 C ATOM 377 CG GLU A 24 -15.603 4.447 -6.088 1.00 0.00 C ATOM 378 CD GLU A 24 -16.885 3.847 -5.477 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.882 3.502 -4.270 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.913 3.740 -6.194 1.00 0.00 O ATOM 0 H GLU A 24 -12.984 1.853 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.757 4.434 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.241 2.710 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.359 2.719 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.078 5.035 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.866 5.128 -6.898 1.00 0.00 H new ATOM 387 N ASN A 25 -12.037 4.376 -5.412 1.00 0.00 N ATOM 388 CA ASN A 25 -11.293 5.196 -4.465 1.00 0.00 C ATOM 389 C ASN A 25 -10.003 5.745 -5.082 1.00 0.00 C ATOM 390 O ASN A 25 -9.641 6.890 -4.834 1.00 0.00 O ATOM 391 CB ASN A 25 -11.072 4.382 -3.173 1.00 0.00 C ATOM 392 CG ASN A 25 -9.620 4.348 -2.736 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.153 5.180 -1.968 1.00 0.00 O ATOM 394 ND2 ASN A 25 -8.877 3.396 -3.263 1.00 0.00 N ATOM 0 H ASN A 25 -12.034 3.381 -5.187 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.869 6.084 -4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.677 4.809 -2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.423 3.362 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.885 3.338 -3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.294 2.717 -3.900 1.00 0.00 H new ATOM 401 N VAL A 26 -9.334 4.978 -5.940 1.00 0.00 N ATOM 402 CA VAL A 26 -8.143 5.433 -6.658 1.00 0.00 C ATOM 403 C VAL A 26 -8.540 6.600 -7.553 1.00 0.00 C ATOM 404 O VAL A 26 -7.938 7.662 -7.467 1.00 0.00 O ATOM 405 CB VAL A 26 -7.580 4.242 -7.446 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.564 4.649 -8.515 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.948 3.205 -6.516 1.00 0.00 C ATOM 0 H VAL A 26 -9.603 4.019 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.362 5.787 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.437 3.803 -7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.206 3.760 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.038 5.321 -9.231 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.723 5.157 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.560 2.375 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.133 3.666 -5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.700 2.834 -5.820 1.00 0.00 H new ATOM 417 N LYS A 27 -9.585 6.461 -8.371 1.00 0.00 N ATOM 418 CA LYS A 27 -10.079 7.555 -9.191 1.00 0.00 C ATOM 419 C LYS A 27 -10.421 8.783 -8.362 1.00 0.00 C ATOM 420 O LYS A 27 -10.153 9.889 -8.823 1.00 0.00 O ATOM 421 CB LYS A 27 -11.322 7.104 -9.956 1.00 0.00 C ATOM 422 CG LYS A 27 -11.135 6.058 -11.062 1.00 0.00 C ATOM 423 CD LYS A 27 -12.549 5.658 -11.515 1.00 0.00 C ATOM 424 CE LYS A 27 -12.554 5.048 -12.921 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.916 5.130 -13.537 1.00 0.00 N ATOM 0 H LYS A 27 -10.106 5.591 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.283 7.829 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.035 6.705 -9.234 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.780 7.987 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.561 6.468 -11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.585 5.193 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.966 4.941 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.196 6.535 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.834 5.571 -13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.236 4.007 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.827 5.173 -14.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.468 4.290 -13.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.400 5.985 -13.196 1.00 0.00 H new ATOM 439 N ALA A 28 -10.964 8.623 -7.155 1.00 0.00 N ATOM 440 CA ALA A 28 -11.218 9.764 -6.276 1.00 0.00 C ATOM 441 C ALA A 28 -9.905 10.459 -5.902 1.00 0.00 C ATOM 442 O ALA A 28 -9.833 11.685 -5.926 1.00 0.00 O ATOM 443 CB ALA A 28 -11.999 9.321 -5.030 1.00 0.00 C ATOM 0 H ALA A 28 -11.235 7.720 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.833 10.488 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.179 10.183 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.953 8.889 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.420 8.576 -4.484 1.00 0.00 H new ATOM 449 N LYS A 29 -8.825 9.705 -5.650 1.00 0.00 N ATOM 450 CA LYS A 29 -7.505 10.300 -5.421 1.00 0.00 C ATOM 451 C LYS A 29 -7.018 10.989 -6.697 1.00 0.00 C ATOM 452 O LYS A 29 -6.427 12.055 -6.644 1.00 0.00 O ATOM 453 CB LYS A 29 -6.497 9.243 -4.949 1.00 0.00 C ATOM 454 CG LYS A 29 -6.863 8.688 -3.566 1.00 0.00 C ATOM 455 CD LYS A 29 -5.951 7.520 -3.174 1.00 0.00 C ATOM 456 CE LYS A 29 -6.335 7.017 -1.773 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.328 7.371 -0.731 1.00 0.00 N ATOM 0 H LYS A 29 -8.842 8.686 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.591 11.046 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.461 8.427 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.500 9.681 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.783 9.480 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.901 8.356 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.044 6.712 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.909 7.839 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.301 7.437 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.455 5.934 -1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.606 6.949 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.395 7.006 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.280 8.405 -0.632 1.00 0.00 H new ATOM 471 N ILE A 30 -7.299 10.428 -7.875 1.00 0.00 N ATOM 472 CA ILE A 30 -6.858 11.032 -9.136 1.00 0.00 C ATOM 473 C ILE A 30 -7.577 12.356 -9.313 1.00 0.00 C ATOM 474 O ILE A 30 -6.960 13.320 -9.712 1.00 0.00 O ATOM 475 CB ILE A 30 -7.112 10.120 -10.354 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.518 8.700 -10.280 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.611 10.807 -11.641 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.363 8.512 -9.298 1.00 0.00 C ATOM 0 H ILE A 30 -7.827 9.562 -7.983 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.780 11.182 -9.083 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.193 9.978 -10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.315 8.007 -10.011 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.173 8.419 -11.275 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.794 10.156 -12.496 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.142 11.748 -11.781 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.542 11.003 -11.557 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.024 7.477 -9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.540 9.172 -9.573 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.700 8.753 -8.290 1.00 0.00 H new ATOM 490 N GLN A 31 -8.855 12.443 -8.988 1.00 0.00 N ATOM 491 CA GLN A 31 -9.631 13.670 -9.015 1.00 0.00 C ATOM 492 C GLN A 31 -9.019 14.693 -8.073 1.00 0.00 C ATOM 493 O GLN A 31 -8.968 15.867 -8.425 1.00 0.00 O ATOM 494 CB GLN A 31 -11.090 13.394 -8.644 1.00 0.00 C ATOM 495 CG GLN A 31 -11.999 14.617 -8.895 1.00 0.00 C ATOM 496 CD GLN A 31 -12.616 15.126 -7.599 1.00 0.00 C ATOM 497 OE1 GLN A 31 -11.971 15.776 -6.779 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.883 14.818 -7.391 1.00 0.00 N ATOM 0 H GLN A 31 -9.399 11.634 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.613 14.074 -10.027 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.456 12.547 -9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.148 13.110 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.419 15.414 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.790 14.347 -9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.397 14.278 -8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.347 15.121 -6.535 1.00 0.00 H new ATOM 507 N ASP A 32 -8.490 14.257 -6.928 1.00 0.00 N ATOM 508 CA ASP A 32 -7.778 15.168 -6.049 1.00 0.00 C ATOM 509 C ASP A 32 -6.521 15.708 -6.747 1.00 0.00 C ATOM 510 O ASP A 32 -6.190 16.884 -6.564 1.00 0.00 O ATOM 511 CB ASP A 32 -7.419 14.507 -4.711 1.00 0.00 C ATOM 512 CG ASP A 32 -6.408 15.360 -3.916 1.00 0.00 C ATOM 513 OD1 ASP A 32 -6.850 16.235 -3.133 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.176 15.146 -4.056 1.00 0.00 O ATOM 0 H ASP A 32 -8.543 13.294 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.443 16.003 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.323 14.366 -4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.999 13.518 -4.893 1.00 0.00 H new ATOM 519 N LYS A 33 -5.836 14.896 -7.572 1.00 0.00 N ATOM 520 CA LYS A 33 -4.528 15.276 -8.091 1.00 0.00 C ATOM 521 C LYS A 33 -4.629 15.983 -9.452 1.00 0.00 C ATOM 522 O LYS A 33 -3.836 16.875 -9.751 1.00 0.00 O ATOM 523 CB LYS A 33 -3.647 14.023 -8.150 1.00 0.00 C ATOM 524 CG LYS A 33 -3.599 13.207 -6.827 1.00 0.00 C ATOM 525 CD LYS A 33 -2.244 13.160 -6.108 1.00 0.00 C ATOM 526 CE LYS A 33 -1.683 14.542 -5.738 1.00 0.00 C ATOM 527 NZ LYS A 33 -2.380 15.154 -4.567 1.00 0.00 N ATOM 0 H LYS A 33 -6.169 13.984 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.070 16.004 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.010 13.376 -8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.633 14.319 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.337 13.623 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.907 12.184 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.347 12.566 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.524 12.646 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.620 14.450 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.772 15.207 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.176 16.173 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.406 15.009 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.044 14.706 -3.690 1.00 0.00 H new ATOM 541 N GLU A 34 -5.651 15.629 -10.228 1.00 0.00 N ATOM 542 CA GLU A 34 -5.835 15.984 -11.629 1.00 0.00 C ATOM 543 C GLU A 34 -7.062 16.859 -11.869 1.00 0.00 C ATOM 544 O GLU A 34 -7.027 17.752 -12.715 1.00 0.00 O ATOM 545 CB GLU A 34 -5.976 14.669 -12.424 1.00 0.00 C ATOM 546 CG GLU A 34 -4.716 13.794 -12.368 1.00 0.00 C ATOM 547 CD GLU A 34 -3.426 14.597 -12.586 1.00 0.00 C ATOM 548 OE1 GLU A 34 -3.247 15.192 -13.672 1.00 0.00 O ATOM 549 OE2 GLU A 34 -2.584 14.649 -11.665 1.00 0.00 O ATOM 0 H GLU A 34 -6.415 15.054 -9.873 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.974 16.569 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.822 14.104 -12.032 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.203 14.903 -13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.669 13.294 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.786 13.014 -13.127 1.00 0.00 H new ATOM 556 N GLY A 35 -8.140 16.621 -11.123 1.00 0.00 N ATOM 557 CA GLY A 35 -9.347 17.436 -11.171 1.00 0.00 C ATOM 558 C GLY A 35 -10.370 16.866 -12.152 1.00 0.00 C ATOM 559 O GLY A 35 -11.151 17.628 -12.720 1.00 0.00 O ATOM 0 H GLY A 35 -8.198 15.847 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.788 17.493 -10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.089 18.454 -11.464 1.00 0.00 H new ATOM 563 N ILE A 36 -10.366 15.541 -12.362 1.00 0.00 N ATOM 564 CA ILE A 36 -11.283 14.877 -13.281 1.00 0.00 C ATOM 565 C ILE A 36 -12.181 14.039 -12.396 1.00 0.00 C ATOM 566 O ILE A 36 -11.639 13.258 -11.613 1.00 0.00 O ATOM 567 CB ILE A 36 -10.517 13.976 -14.256 1.00 0.00 C ATOM 568 CG1 ILE A 36 -9.547 14.774 -15.136 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.498 13.224 -15.176 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.438 13.847 -15.598 1.00 0.00 C ATOM 0 H ILE A 36 -9.722 14.904 -11.894 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.841 15.593 -13.885 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.946 13.273 -13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.072 15.193 -15.994 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.131 15.612 -14.577 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.939 12.588 -15.862 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.164 12.608 -14.572 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.087 13.943 -15.745 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.739 14.400 -16.226 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.911 13.450 -14.731 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.866 13.024 -16.170 1.00 0.00 H new ATOM 582 N PRO A 37 -13.511 14.123 -12.505 1.00 0.00 N ATOM 583 CA PRO A 37 -14.405 13.290 -11.716 1.00 0.00 C ATOM 584 C PRO A 37 -14.125 11.805 -11.958 1.00 0.00 C ATOM 585 O PRO A 37 -13.785 11.422 -13.078 1.00 0.00 O ATOM 586 CB PRO A 37 -15.823 13.721 -12.089 1.00 0.00 C ATOM 587 CG PRO A 37 -15.679 14.926 -13.026 1.00 0.00 C ATOM 588 CD PRO A 37 -14.229 14.893 -13.500 1.00 0.00 C ATOM 0 HA PRO A 37 -14.257 13.421 -10.644 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.359 12.909 -12.581 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.394 13.987 -11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.370 14.856 -13.866 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.902 15.858 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.149 14.432 -14.485 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.821 15.900 -13.585 1.00 0.00 H new ATOM 596 N PRO A 38 -14.307 10.931 -10.953 1.00 0.00 N ATOM 597 CA PRO A 38 -14.077 9.501 -11.138 1.00 0.00 C ATOM 598 C PRO A 38 -15.001 8.922 -12.196 1.00 0.00 C ATOM 599 O PRO A 38 -14.595 8.047 -12.961 1.00 0.00 O ATOM 600 CB PRO A 38 -14.343 8.873 -9.771 1.00 0.00 C ATOM 601 CG PRO A 38 -15.230 9.875 -9.034 1.00 0.00 C ATOM 602 CD PRO A 38 -14.772 11.216 -9.595 1.00 0.00 C ATOM 0 HA PRO A 38 -13.065 9.299 -11.488 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.839 7.908 -9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.413 8.699 -9.230 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.288 9.697 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.090 9.820 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.589 11.938 -9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.974 11.644 -8.988 1.00 0.00 H new ATOM 610 N ASP A 39 -16.205 9.481 -12.305 1.00 0.00 N ATOM 611 CA ASP A 39 -17.202 9.014 -13.264 1.00 0.00 C ATOM 612 C ASP A 39 -16.802 9.313 -14.715 1.00 0.00 C ATOM 613 O ASP A 39 -17.391 8.752 -15.634 1.00 0.00 O ATOM 614 CB ASP A 39 -18.567 9.626 -12.923 1.00 0.00 C ATOM 615 CG ASP A 39 -19.687 9.111 -13.843 1.00 0.00 C ATOM 616 OD1 ASP A 39 -20.068 7.923 -13.738 1.00 0.00 O ATOM 617 OD2 ASP A 39 -20.199 9.876 -14.686 1.00 0.00 O ATOM 0 H ASP A 39 -16.515 10.267 -11.733 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.266 7.929 -13.185 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.817 9.396 -11.887 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.506 10.711 -13.002 1.00 0.00 H new ATOM 622 N GLN A 40 -15.756 10.123 -14.928 1.00 0.00 N ATOM 623 CA GLN A 40 -15.221 10.458 -16.254 1.00 0.00 C ATOM 624 C GLN A 40 -13.875 9.766 -16.510 1.00 0.00 C ATOM 625 O GLN A 40 -13.448 9.686 -17.661 1.00 0.00 O ATOM 626 CB GLN A 40 -15.128 11.995 -16.355 1.00 0.00 C ATOM 627 CG GLN A 40 -14.542 12.566 -17.663 1.00 0.00 C ATOM 628 CD GLN A 40 -15.398 12.331 -18.907 1.00 0.00 C ATOM 629 OE1 GLN A 40 -15.326 11.285 -19.548 1.00 0.00 O ATOM 630 NE2 GLN A 40 -16.209 13.299 -19.292 1.00 0.00 N ATOM 0 H GLN A 40 -15.248 10.573 -14.167 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.887 10.089 -17.034 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -16.128 12.407 -16.221 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.522 12.355 -15.524 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.393 13.639 -17.540 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.559 12.124 -17.827 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.262 14.164 -18.754 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.782 13.182 -20.128 1.00 0.00 H new ATOM 639 N GLN A 41 -13.194 9.232 -15.495 1.00 0.00 N ATOM 640 CA GLN A 41 -11.923 8.546 -15.704 1.00 0.00 C ATOM 641 C GLN A 41 -12.209 7.178 -16.300 1.00 0.00 C ATOM 642 O GLN A 41 -13.166 6.510 -15.925 1.00 0.00 O ATOM 643 CB GLN A 41 -11.183 8.414 -14.361 1.00 0.00 C ATOM 644 CG GLN A 41 -10.566 9.747 -13.911 1.00 0.00 C ATOM 645 CD GLN A 41 -10.153 9.682 -12.453 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.480 8.745 -12.059 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.583 10.603 -11.606 1.00 0.00 N ATOM 0 H GLN A 41 -13.502 9.262 -14.523 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.289 9.111 -16.387 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.876 8.060 -13.598 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.398 7.663 -14.452 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.699 9.979 -14.530 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.285 10.553 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.146 11.384 -11.944 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.352 10.532 -10.615 1.00 0.00 H new ATOM 656 N ARG A 42 -11.302 6.718 -17.147 1.00 0.00 N ATOM 657 CA ARG A 42 -11.244 5.372 -17.703 1.00 0.00 C ATOM 658 C ARG A 42 -9.835 4.933 -17.365 1.00 0.00 C ATOM 659 O ARG A 42 -8.888 5.394 -17.984 1.00 0.00 O ATOM 660 CB ARG A 42 -11.542 5.481 -19.205 1.00 0.00 C ATOM 661 CG ARG A 42 -11.697 4.157 -19.949 1.00 0.00 C ATOM 662 CD ARG A 42 -12.105 4.470 -21.402 1.00 0.00 C ATOM 663 NE ARG A 42 -12.615 3.300 -22.141 1.00 0.00 N ATOM 664 CZ ARG A 42 -13.300 3.312 -23.297 1.00 0.00 C ATOM 665 NH1 ARG A 42 -13.562 4.452 -23.930 1.00 0.00 N ATOM 666 NH2 ARG A 42 -13.725 2.170 -23.813 1.00 0.00 N ATOM 0 H ARG A 42 -10.541 7.307 -17.486 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.961 4.647 -17.318 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.458 6.058 -19.334 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.739 6.049 -19.675 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.762 3.597 -19.928 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.452 3.535 -19.467 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.870 5.246 -21.396 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.244 4.876 -21.932 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.428 2.385 -21.731 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.241 5.338 -23.539 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.083 4.440 -24.807 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.532 1.291 -23.334 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.246 2.169 -24.690 1.00 0.00 H new ATOM 680 N LEU A 43 -9.668 4.213 -16.269 1.00 0.00 N ATOM 681 CA LEU A 43 -8.335 3.920 -15.752 1.00 0.00 C ATOM 682 C LEU A 43 -7.872 2.705 -16.525 1.00 0.00 C ATOM 683 O LEU A 43 -8.636 1.761 -16.689 1.00 0.00 O ATOM 684 CB LEU A 43 -8.426 3.637 -14.238 1.00 0.00 C ATOM 685 CG LEU A 43 -7.308 4.285 -13.407 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.337 5.826 -13.482 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.542 3.886 -11.947 1.00 0.00 C ATOM 0 H LEU A 43 -10.432 3.820 -15.720 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.635 4.746 -15.874 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.389 3.992 -13.871 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.403 2.559 -14.079 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.347 3.947 -13.796 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.527 6.235 -12.878 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.213 6.142 -14.518 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.292 6.191 -13.103 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.767 4.327 -11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.519 4.246 -11.623 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.507 2.800 -11.856 1.00 0.00 H new ATOM 699 N ILE A 44 -6.643 2.722 -17.009 1.00 0.00 N ATOM 700 CA ILE A 44 -6.075 1.624 -17.778 1.00 0.00 C ATOM 701 C ILE A 44 -4.831 1.180 -17.037 1.00 0.00 C ATOM 702 O ILE A 44 -4.189 1.964 -16.343 1.00 0.00 O ATOM 703 CB ILE A 44 -5.848 2.056 -19.252 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.219 2.453 -19.855 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.157 0.959 -20.091 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.311 2.568 -21.383 1.00 0.00 C ATOM 0 H ILE A 44 -6.003 3.505 -16.879 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.744 0.767 -17.857 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.169 2.908 -19.272 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.956 1.720 -19.527 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.511 3.412 -19.427 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.022 1.313 -21.113 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.185 0.727 -19.656 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.775 0.061 -20.097 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.325 2.852 -21.666 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.611 3.326 -21.734 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.063 1.608 -21.836 1.00 0.00 H new ATOM 718 N PHE A 45 -4.497 -0.091 -17.191 1.00 0.00 N ATOM 719 CA PHE A 45 -3.306 -0.675 -16.622 1.00 0.00 C ATOM 720 C PHE A 45 -2.767 -1.659 -17.634 1.00 0.00 C ATOM 721 O PHE A 45 -3.456 -2.620 -17.954 1.00 0.00 O ATOM 722 CB PHE A 45 -3.689 -1.408 -15.336 1.00 0.00 C ATOM 723 CG PHE A 45 -2.549 -2.217 -14.767 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.337 -1.571 -14.473 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.665 -3.612 -14.601 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.252 -2.309 -13.975 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.586 -4.344 -14.081 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.385 -3.691 -13.758 1.00 0.00 C ATOM 0 H PHE A 45 -5.060 -0.753 -17.725 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.557 0.082 -16.390 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.020 -0.682 -14.593 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.533 -2.068 -15.536 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.240 -0.507 -14.630 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.581 -4.116 -14.873 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.684 -1.815 -13.759 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.679 -5.409 -13.929 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.438 -4.253 -13.342 1.00 0.00 H new ATOM 738 N ALA A 46 -1.564 -1.435 -18.151 1.00 0.00 N ATOM 739 CA ALA A 46 -0.840 -2.388 -18.995 1.00 0.00 C ATOM 740 C ALA A 46 -1.672 -2.969 -20.152 1.00 0.00 C ATOM 741 O ALA A 46 -1.519 -4.127 -20.547 1.00 0.00 O ATOM 742 CB ALA A 46 -0.244 -3.458 -18.078 1.00 0.00 C ATOM 0 H ALA A 46 -1.051 -0.568 -17.994 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.042 -1.861 -19.519 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.304 -4.186 -18.676 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.435 -2.990 -17.366 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.046 -3.962 -17.538 1.00 0.00 H new ATOM 748 N GLY A 47 -2.582 -2.144 -20.667 1.00 0.00 N ATOM 749 CA GLY A 47 -3.437 -2.447 -21.807 1.00 0.00 C ATOM 750 C GLY A 47 -4.843 -2.911 -21.445 1.00 0.00 C ATOM 751 O GLY A 47 -5.630 -3.162 -22.358 1.00 0.00 O ATOM 0 H GLY A 47 -2.748 -1.213 -20.286 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.513 -1.558 -22.433 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.958 -3.220 -22.408 1.00 0.00 H new ATOM 755 N LYS A 48 -5.195 -2.988 -20.155 1.00 0.00 N ATOM 756 CA LYS A 48 -6.533 -3.395 -19.715 1.00 0.00 C ATOM 757 C LYS A 48 -7.189 -2.252 -18.968 1.00 0.00 C ATOM 758 O LYS A 48 -6.585 -1.652 -18.090 1.00 0.00 O ATOM 759 CB LYS A 48 -6.456 -4.723 -18.939 1.00 0.00 C ATOM 760 CG LYS A 48 -6.054 -4.637 -17.451 1.00 0.00 C ATOM 761 CD LYS A 48 -5.275 -5.869 -16.971 1.00 0.00 C ATOM 762 CE LYS A 48 -3.857 -5.908 -17.573 1.00 0.00 C ATOM 763 NZ LYS A 48 -3.091 -7.116 -17.145 1.00 0.00 N ATOM 0 H LYS A 48 -4.559 -2.770 -19.388 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.180 -3.603 -20.567 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.430 -5.209 -19.000 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.743 -5.372 -19.447 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.446 -3.746 -17.295 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.952 -4.521 -16.843 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.210 -5.859 -15.883 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.815 -6.774 -17.249 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.926 -5.891 -18.661 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.313 -5.012 -17.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.144 -7.097 -17.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.000 -7.121 -16.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.594 -7.973 -17.452 1.00 0.00 H new ATOM 777 N GLN A 49 -8.399 -1.885 -19.350 1.00 0.00 N ATOM 778 CA GLN A 49 -9.225 -0.937 -18.614 1.00 0.00 C ATOM 779 C GLN A 49 -9.641 -1.619 -17.311 1.00 0.00 C ATOM 780 O GLN A 49 -9.972 -2.807 -17.304 1.00 0.00 O ATOM 781 CB GLN A 49 -10.457 -0.586 -19.469 1.00 0.00 C ATOM 782 CG GLN A 49 -10.068 0.228 -20.716 1.00 0.00 C ATOM 783 CD GLN A 49 -11.071 0.111 -21.870 1.00 0.00 C ATOM 784 OE1 GLN A 49 -12.202 0.571 -21.764 1.00 0.00 O ATOM 785 NE2 GLN A 49 -10.668 -0.441 -23.005 1.00 0.00 N ATOM 0 H GLN A 49 -8.846 -2.242 -20.195 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.689 -0.014 -18.393 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.961 -1.503 -19.775 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.167 -0.017 -18.869 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.970 1.277 -20.437 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.089 -0.102 -21.063 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.724 -0.820 -23.081 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.302 -0.487 -23.803 1.00 0.00 H new ATOM 794 N LEU A 50 -9.622 -0.853 -16.221 1.00 0.00 N ATOM 795 CA LEU A 50 -10.111 -1.313 -14.923 1.00 0.00 C ATOM 796 C LEU A 50 -11.551 -0.820 -14.758 1.00 0.00 C ATOM 797 O LEU A 50 -11.985 0.074 -15.489 1.00 0.00 O ATOM 798 CB LEU A 50 -9.209 -0.818 -13.770 1.00 0.00 C ATOM 799 CG LEU A 50 -7.684 -0.837 -14.000 1.00 0.00 C ATOM 800 CD1 LEU A 50 -6.952 -0.506 -12.700 1.00 0.00 C ATOM 801 CD2 LEU A 50 -7.184 -2.173 -14.553 1.00 0.00 C ATOM 0 H LEU A 50 -9.267 0.103 -16.213 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.086 -2.402 -14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.500 0.205 -13.531 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.424 -1.425 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.468 -0.078 -14.752 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.876 -0.522 -12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.249 0.485 -12.357 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.208 -1.244 -11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.104 -2.127 -14.695 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.424 -2.971 -13.850 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.667 -2.375 -15.509 1.00 0.00 H new ATOM 813 N GLU A 51 -12.275 -1.335 -13.763 1.00 0.00 N ATOM 814 CA GLU A 51 -13.625 -0.878 -13.445 1.00 0.00 C ATOM 815 C GLU A 51 -13.689 -0.518 -11.960 1.00 0.00 C ATOM 816 O GLU A 51 -12.919 -1.043 -11.160 1.00 0.00 O ATOM 817 CB GLU A 51 -14.684 -1.886 -13.922 1.00 0.00 C ATOM 818 CG GLU A 51 -14.723 -3.185 -13.107 1.00 0.00 C ATOM 819 CD GLU A 51 -15.648 -4.244 -13.737 1.00 0.00 C ATOM 820 OE1 GLU A 51 -16.872 -3.999 -13.862 1.00 0.00 O ATOM 821 OE2 GLU A 51 -15.154 -5.350 -14.069 1.00 0.00 O ATOM 0 H GLU A 51 -11.939 -2.082 -13.155 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.866 0.032 -13.995 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.665 -1.413 -13.880 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.493 -2.131 -14.967 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.714 -3.590 -13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.062 -2.966 -12.095 1.00 0.00 H new ATOM 828 N ASP A 52 -14.602 0.383 -11.602 1.00 0.00 N ATOM 829 CA ASP A 52 -14.694 1.044 -10.295 1.00 0.00 C ATOM 830 C ASP A 52 -14.749 0.063 -9.136 1.00 0.00 C ATOM 831 O ASP A 52 -14.139 0.303 -8.094 1.00 0.00 O ATOM 832 CB ASP A 52 -15.934 1.952 -10.258 1.00 0.00 C ATOM 833 CG ASP A 52 -15.656 3.321 -10.896 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.500 3.377 -12.139 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.562 4.331 -10.165 1.00 0.00 O ATOM 0 H ASP A 52 -15.334 0.689 -12.243 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.785 1.633 -10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.756 1.466 -10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.253 2.090 -9.225 1.00 0.00 H new ATOM 840 N GLY A 53 -15.451 -1.050 -9.337 1.00 0.00 N ATOM 841 CA GLY A 53 -15.746 -2.007 -8.284 1.00 0.00 C ATOM 842 C GLY A 53 -14.572 -2.915 -7.928 1.00 0.00 C ATOM 843 O GLY A 53 -14.693 -3.717 -6.998 1.00 0.00 O ATOM 0 H GLY A 53 -15.833 -1.311 -10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.058 -1.465 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.590 -2.624 -8.593 1.00 0.00 H new ATOM 847 N ARG A 54 -13.449 -2.840 -8.653 1.00 0.00 N ATOM 848 CA ARG A 54 -12.327 -3.760 -8.510 1.00 0.00 C ATOM 849 C ARG A 54 -11.184 -3.096 -7.789 1.00 0.00 C ATOM 850 O ARG A 54 -11.272 -1.915 -7.481 1.00 0.00 O ATOM 851 CB ARG A 54 -11.942 -4.250 -9.901 1.00 0.00 C ATOM 852 CG ARG A 54 -13.022 -5.200 -10.446 1.00 0.00 C ATOM 853 CD ARG A 54 -12.394 -6.311 -11.281 1.00 0.00 C ATOM 854 NE ARG A 54 -13.072 -6.549 -12.557 1.00 0.00 N ATOM 855 CZ ARG A 54 -12.647 -7.404 -13.487 1.00 0.00 C ATOM 856 NH1 ARG A 54 -11.571 -8.163 -13.276 1.00 0.00 N ATOM 857 NH2 ARG A 54 -13.332 -7.465 -14.623 1.00 0.00 N ATOM 0 H ARG A 54 -13.298 -2.125 -9.365 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.604 -4.620 -7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.821 -3.401 -10.573 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.982 -4.764 -9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.583 -5.634 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.733 -4.640 -11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.351 -6.061 -11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.397 -7.234 -10.701 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.927 -6.025 -12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.063 -8.093 -12.394 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.256 -8.813 -13.996 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.150 -6.871 -14.758 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.040 -8.106 -15.361 1.00 0.00 H new ATOM 871 N THR A 55 -10.105 -3.819 -7.529 1.00 0.00 N ATOM 872 CA THR A 55 -9.005 -3.352 -6.709 1.00 0.00 C ATOM 873 C THR A 55 -7.709 -3.566 -7.446 1.00 0.00 C ATOM 874 O THR A 55 -7.640 -4.319 -8.413 1.00 0.00 O ATOM 875 CB THR A 55 -8.973 -4.119 -5.376 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.035 -5.509 -5.643 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.121 -3.732 -4.447 1.00 0.00 C ATOM 0 H THR A 55 -9.970 -4.763 -7.890 1.00 0.00 H new ATOM 0 HA THR A 55 -9.140 -2.291 -6.501 1.00 0.00 H new ATOM 0 HB THR A 55 -8.044 -3.859 -4.868 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.013 -6.006 -4.798 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.049 -4.304 -3.522 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.063 -2.667 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.072 -3.948 -4.934 1.00 0.00 H new ATOM 885 N LEU A 56 -6.656 -2.920 -6.960 1.00 0.00 N ATOM 886 CA LEU A 56 -5.330 -3.046 -7.558 1.00 0.00 C ATOM 887 C LEU A 56 -4.897 -4.518 -7.581 1.00 0.00 C ATOM 888 O LEU A 56 -4.501 -5.030 -8.627 1.00 0.00 O ATOM 889 CB LEU A 56 -4.367 -2.101 -6.811 1.00 0.00 C ATOM 890 CG LEU A 56 -4.837 -0.636 -6.822 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.747 0.267 -6.264 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.206 -0.137 -8.227 1.00 0.00 C ATOM 0 H LEU A 56 -6.694 -2.301 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.328 -2.737 -8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.264 -2.437 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.379 -2.164 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.733 -0.597 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.090 1.302 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.519 -0.028 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.850 0.175 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.530 0.902 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.336 -0.211 -8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.014 -0.748 -8.629 1.00 0.00 H new ATOM 904 N SER A 57 -5.106 -5.228 -6.479 1.00 0.00 N ATOM 905 CA SER A 57 -4.865 -6.660 -6.349 1.00 0.00 C ATOM 906 C SER A 57 -5.672 -7.490 -7.344 1.00 0.00 C ATOM 907 O SER A 57 -5.142 -8.489 -7.836 1.00 0.00 O ATOM 908 CB SER A 57 -5.225 -7.122 -4.939 1.00 0.00 C ATOM 909 OG SER A 57 -4.145 -6.920 -4.053 1.00 0.00 O ATOM 0 H SER A 57 -5.461 -4.807 -5.620 1.00 0.00 H new ATOM 0 HA SER A 57 -3.806 -6.815 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.099 -6.575 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.495 -8.178 -4.955 1.00 0.00 H new ATOM 0 HG SER A 57 -4.398 -7.221 -3.155 1.00 0.00 H new ATOM 915 N ASP A 58 -6.902 -7.089 -7.693 1.00 0.00 N ATOM 916 CA ASP A 58 -7.698 -7.831 -8.671 1.00 0.00 C ATOM 917 C ASP A 58 -6.959 -7.912 -10.006 1.00 0.00 C ATOM 918 O ASP A 58 -6.983 -8.934 -10.698 1.00 0.00 O ATOM 919 CB ASP A 58 -9.057 -7.179 -8.888 1.00 0.00 C ATOM 920 CG ASP A 58 -9.958 -8.138 -9.690 1.00 0.00 C ATOM 921 OD1 ASP A 58 -9.974 -8.088 -10.942 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.673 -8.946 -9.050 1.00 0.00 O ATOM 0 H ASP A 58 -7.362 -6.261 -7.314 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.852 -8.835 -8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.518 -6.945 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.940 -6.237 -9.424 1.00 0.00 H new ATOM 927 N TYR A 59 -6.213 -6.845 -10.301 1.00 0.00 N ATOM 928 CA TYR A 59 -5.420 -6.675 -11.509 1.00 0.00 C ATOM 929 C TYR A 59 -3.935 -6.989 -11.267 1.00 0.00 C ATOM 930 O TYR A 59 -3.115 -6.834 -12.170 1.00 0.00 O ATOM 931 CB TYR A 59 -5.661 -5.249 -12.012 1.00 0.00 C ATOM 932 CG TYR A 59 -7.113 -4.945 -12.314 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.751 -5.583 -13.396 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.842 -4.046 -11.508 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.097 -5.309 -13.693 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.191 -3.790 -11.783 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.817 -4.396 -12.891 1.00 0.00 C ATOM 938 OH TYR A 59 -11.102 -4.064 -13.188 1.00 0.00 O ATOM 0 H TYR A 59 -6.146 -6.044 -9.673 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.727 -7.385 -12.277 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.300 -4.544 -11.263 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.070 -5.087 -12.914 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.201 -6.288 -14.002 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.359 -3.554 -10.677 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.578 -5.794 -14.530 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.754 -3.126 -11.144 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.540 -4.819 -13.633 1.00 0.00 H new ATOM 948 N ASN A 60 -3.586 -7.459 -10.060 1.00 0.00 N ATOM 949 CA ASN A 60 -2.237 -7.801 -9.590 1.00 0.00 C ATOM 950 C ASN A 60 -1.263 -6.615 -9.624 1.00 0.00 C ATOM 951 O ASN A 60 -0.041 -6.781 -9.610 1.00 0.00 O ATOM 952 CB ASN A 60 -1.724 -9.101 -10.250 1.00 0.00 C ATOM 953 CG ASN A 60 -1.879 -10.306 -9.325 1.00 0.00 C ATOM 954 OD1 ASN A 60 -0.935 -11.057 -9.097 1.00 0.00 O ATOM 955 ND2 ASN A 60 -3.063 -10.525 -8.765 1.00 0.00 N ATOM 0 H ASN A 60 -4.288 -7.621 -9.338 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.303 -8.028 -8.526 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.272 -9.280 -11.175 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.675 -8.982 -10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.193 -11.321 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.843 -9.897 -8.959 1.00 0.00 H new ATOM 962 N ILE A 61 -1.815 -5.405 -9.624 1.00 0.00 N ATOM 963 CA ILE A 61 -1.087 -4.160 -9.435 1.00 0.00 C ATOM 964 C ILE A 61 -0.638 -4.169 -7.973 1.00 0.00 C ATOM 965 O ILE A 61 -1.437 -4.437 -7.072 1.00 0.00 O ATOM 966 CB ILE A 61 -2.036 -2.982 -9.716 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.565 -2.985 -11.162 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.378 -1.616 -9.416 1.00 0.00 C ATOM 969 CD1 ILE A 61 -3.884 -2.234 -11.275 1.00 0.00 C ATOM 0 H ILE A 61 -2.816 -5.263 -9.760 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.232 -4.060 -10.103 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.878 -3.122 -9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.827 -2.528 -11.821 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.700 -4.013 -11.499 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.087 -0.816 -9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.089 -1.574 -8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.493 -1.493 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.228 -2.256 -12.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.628 -2.707 -10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.742 -1.200 -10.962 1.00 0.00 H new ATOM 981 N GLN A 62 0.634 -3.860 -7.744 1.00 0.00 N ATOM 982 CA GLN A 62 1.274 -3.850 -6.432 1.00 0.00 C ATOM 983 C GLN A 62 1.866 -2.455 -6.216 1.00 0.00 C ATOM 984 O GLN A 62 1.501 -1.500 -6.901 1.00 0.00 O ATOM 985 CB GLN A 62 2.329 -4.971 -6.401 1.00 0.00 C ATOM 986 CG GLN A 62 1.675 -6.352 -6.501 1.00 0.00 C ATOM 987 CD GLN A 62 2.650 -7.384 -7.055 1.00 0.00 C ATOM 988 OE1 GLN A 62 3.484 -7.941 -6.344 1.00 0.00 O ATOM 989 NE2 GLN A 62 2.565 -7.639 -8.354 1.00 0.00 N ATOM 0 H GLN A 62 1.272 -3.600 -8.496 1.00 0.00 H new ATOM 0 HA GLN A 62 0.575 -4.045 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.029 -4.837 -7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.906 -4.905 -5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.330 -6.666 -5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.797 -6.296 -7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.864 -7.163 -8.922 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.201 -8.311 -8.785 1.00 0.00 H new ATOM 998 N LYS A 63 2.752 -2.300 -5.236 1.00 0.00 N ATOM 999 CA LYS A 63 3.493 -1.068 -5.031 1.00 0.00 C ATOM 1000 C LYS A 63 4.372 -0.768 -6.233 1.00 0.00 C ATOM 1001 O LYS A 63 4.727 -1.654 -7.009 1.00 0.00 O ATOM 1002 CB LYS A 63 4.337 -1.162 -3.744 1.00 0.00 C ATOM 1003 CG LYS A 63 5.616 -1.993 -3.882 1.00 0.00 C ATOM 1004 CD LYS A 63 6.344 -2.034 -2.530 1.00 0.00 C ATOM 1005 CE LYS A 63 7.716 -2.691 -2.702 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.450 -2.837 -1.417 1.00 0.00 N ATOM 0 H LYS A 63 2.974 -3.032 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 63 2.784 -0.248 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.606 -0.154 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.723 -1.592 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.373 -3.004 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.264 -1.560 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.461 -1.024 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.752 -2.591 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.589 -3.674 -3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.315 -2.096 -3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.371 -3.287 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.598 -1.899 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.895 -3.427 -0.765 1.00 0.00 H new ATOM 1020 N GLU A 64 4.771 0.497 -6.273 1.00 0.00 N ATOM 1021 CA GLU A 64 5.654 1.101 -7.258 1.00 0.00 C ATOM 1022 C GLU A 64 5.273 0.603 -8.660 1.00 0.00 C ATOM 1023 O GLU A 64 6.112 0.138 -9.433 1.00 0.00 O ATOM 1024 CB GLU A 64 7.134 0.879 -6.911 1.00 0.00 C ATOM 1025 CG GLU A 64 7.594 1.412 -5.557 1.00 0.00 C ATOM 1026 CD GLU A 64 9.077 1.079 -5.297 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.966 1.840 -5.748 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.360 0.061 -4.618 1.00 0.00 O ATOM 0 H GLU A 64 4.465 1.171 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 64 5.522 2.183 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.338 -0.191 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.742 1.344 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.450 2.492 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.979 0.982 -4.767 1.00 0.00 H new ATOM 1035 N SER A 65 3.965 0.649 -8.933 1.00 0.00 N ATOM 1036 CA SER A 65 3.409 0.098 -10.175 1.00 0.00 C ATOM 1037 C SER A 65 2.736 1.219 -10.946 1.00 0.00 C ATOM 1038 O SER A 65 2.199 2.143 -10.340 1.00 0.00 O ATOM 1039 CB SER A 65 2.437 -1.056 -9.895 1.00 0.00 C ATOM 1040 OG SER A 65 3.108 -2.193 -9.370 1.00 0.00 O ATOM 0 H SER A 65 3.270 1.062 -8.311 1.00 0.00 H new ATOM 0 HA SER A 65 4.216 -0.320 -10.777 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.674 -0.726 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.923 -1.330 -10.816 1.00 0.00 H new ATOM 0 HG SER A 65 3.630 -1.931 -8.583 1.00 0.00 H new ATOM 1046 N THR A 66 2.765 1.145 -12.270 1.00 0.00 N ATOM 1047 CA THR A 66 2.355 2.240 -13.136 1.00 0.00 C ATOM 1048 C THR A 66 0.962 1.964 -13.694 1.00 0.00 C ATOM 1049 O THR A 66 0.635 0.838 -14.058 1.00 0.00 O ATOM 1050 CB THR A 66 3.398 2.471 -14.257 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.694 2.525 -13.684 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.156 3.764 -15.059 1.00 0.00 C ATOM 0 H THR A 66 3.076 0.316 -12.776 1.00 0.00 H new ATOM 0 HA THR A 66 2.305 3.161 -12.555 1.00 0.00 H new ATOM 0 HB THR A 66 3.303 1.637 -14.953 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.358 2.670 -14.390 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.922 3.864 -15.828 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.174 3.722 -15.529 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.201 4.622 -14.388 1.00 0.00 H new ATOM 1060 N LEU A 67 0.155 3.019 -13.780 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.218 3.061 -14.265 1.00 0.00 C ATOM 1062 C LEU A 67 -1.339 4.104 -15.374 1.00 0.00 C ATOM 1063 O LEU A 67 -0.424 4.904 -15.557 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.104 3.479 -13.077 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.288 2.557 -12.833 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.805 1.204 -12.315 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.203 3.180 -11.790 1.00 0.00 C ATOM 0 H LEU A 67 0.474 3.943 -13.487 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.520 2.091 -14.661 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.492 3.514 -12.176 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.474 4.490 -13.251 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.824 2.416 -13.772 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.662 0.553 -12.144 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.144 0.748 -13.051 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.264 1.345 -11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.053 2.522 -11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.652 3.320 -10.860 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.560 4.145 -12.149 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.503 4.193 -16.023 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.738 5.169 -17.095 1.00 0.00 C ATOM 1081 C HIS A 68 -4.067 5.881 -16.888 1.00 0.00 C ATOM 1082 O HIS A 68 -5.085 5.226 -16.660 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.747 4.468 -18.467 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.412 4.341 -19.152 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.949 3.184 -19.782 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.541 5.366 -19.394 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.213 3.534 -20.359 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.492 4.826 -20.124 1.00 0.00 N ATOM 0 H HIS A 68 -3.305 3.596 -15.823 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.931 5.901 -17.067 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.164 3.469 -18.340 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.421 5.013 -19.127 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.397 2.268 -19.800 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.643 6.393 -19.076 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.838 2.866 -20.934 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.072 7.216 -16.996 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.309 8.009 -17.058 1.00 0.00 C ATOM 1098 C LEU A 69 -5.711 8.043 -18.512 1.00 0.00 C ATOM 1099 O LEU A 69 -5.001 8.607 -19.337 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.129 9.453 -16.501 1.00 0.00 C ATOM 1101 CG LEU A 69 -5.855 10.684 -17.161 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.347 10.440 -17.426 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.762 11.856 -16.185 1.00 0.00 C ATOM 0 H LEU A 69 -3.221 7.777 -17.043 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.076 7.553 -16.431 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.433 9.429 -15.454 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.061 9.669 -16.518 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.369 10.872 -18.118 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.786 11.328 -17.881 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.463 9.591 -18.100 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.854 10.227 -16.485 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.257 12.727 -16.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.248 11.588 -15.247 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.714 12.090 -15.997 1.00 0.00 H new ATOM 1115 N VAL A 70 -6.891 7.507 -18.789 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.585 7.614 -20.056 1.00 0.00 C ATOM 1117 C VAL A 70 -8.989 8.116 -19.688 1.00 0.00 C ATOM 1118 O VAL A 70 -9.356 8.151 -18.517 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.453 6.245 -20.754 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.261 6.161 -22.029 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -5.977 5.939 -21.068 1.00 0.00 C ATOM 0 H VAL A 70 -7.411 6.961 -18.102 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.197 8.319 -20.791 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.849 5.505 -20.059 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.131 5.176 -22.478 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.315 6.320 -21.803 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.920 6.926 -22.727 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.903 4.969 -21.560 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.577 6.711 -21.725 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.404 5.920 -20.141 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.766 8.576 -20.657 1.00 0.00 N ATOM 1132 CA LEU A 71 -11.052 9.224 -20.417 1.00 0.00 C ATOM 1133 C LEU A 71 -12.176 8.280 -20.831 1.00 0.00 C ATOM 1134 O LEU A 71 -12.011 7.505 -21.763 1.00 0.00 O ATOM 1135 CB LEU A 71 -11.059 10.508 -21.255 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.240 11.431 -20.921 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -11.777 12.525 -19.976 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -12.848 12.038 -22.180 1.00 0.00 C ATOM 0 H LEU A 71 -9.521 8.510 -21.645 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.201 9.465 -19.365 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.126 11.047 -21.093 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.096 10.246 -22.312 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.015 10.836 -20.438 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.615 13.180 -19.739 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.397 12.076 -19.058 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.986 13.105 -20.451 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.681 12.685 -21.906 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.092 12.622 -22.704 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.207 11.241 -22.831 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.333 8.348 -20.169 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.556 7.626 -20.578 1.00 0.00 C ATOM 1152 C ARG A 72 -15.184 8.208 -21.838 1.00 0.00 C ATOM 1153 O ARG A 72 -15.911 7.493 -22.517 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.609 7.661 -19.447 1.00 0.00 C ATOM 1155 CG ARG A 72 -15.543 6.385 -18.588 1.00 0.00 C ATOM 1156 CD ARG A 72 -16.430 6.523 -17.350 1.00 0.00 C ATOM 1157 NE ARG A 72 -16.866 5.221 -16.807 1.00 0.00 N ATOM 1158 CZ ARG A 72 -17.840 5.058 -15.893 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -18.426 6.118 -15.350 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -18.207 3.839 -15.523 1.00 0.00 N ATOM 0 H ARG A 72 -13.456 8.909 -19.326 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.251 6.601 -20.786 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.443 8.535 -18.818 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.606 7.763 -19.877 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.864 5.526 -19.178 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.513 6.197 -18.285 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.886 7.069 -16.579 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.308 7.118 -17.603 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.394 4.384 -17.150 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.138 7.057 -15.626 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.164 5.994 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.751 3.023 -15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.945 3.717 -14.830 1.00 0.00 H new ATOM 1174 N LEU A 73 -14.901 9.481 -22.149 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.614 10.248 -23.179 1.00 0.00 C ATOM 1176 C LEU A 73 -17.099 10.224 -22.744 1.00 0.00 C ATOM 1177 O LEU A 73 -17.995 9.972 -23.548 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.364 9.747 -24.628 1.00 0.00 C ATOM 1179 CG LEU A 73 -13.938 9.615 -25.211 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -13.199 10.895 -25.557 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -12.984 8.694 -24.450 1.00 0.00 C ATOM 0 H LEU A 73 -14.163 10.012 -21.687 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.242 11.271 -23.238 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.829 8.764 -24.706 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.915 10.414 -25.291 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.213 9.140 -26.153 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.214 10.650 -25.955 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.764 11.451 -26.305 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.087 11.504 -24.660 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.016 8.680 -24.950 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.861 9.060 -23.431 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.395 7.685 -24.426 1.00 0.00 H new ATOM 1193 N ARG A 74 -17.333 10.367 -21.426 1.00 0.00 N ATOM 1194 CA ARG A 74 -18.623 10.165 -20.760 1.00 0.00 C ATOM 1195 C ARG A 74 -19.684 11.011 -21.457 1.00 0.00 C ATOM 1196 O ARG A 74 -19.532 12.230 -21.561 1.00 0.00 O ATOM 1197 CB ARG A 74 -18.480 10.509 -19.259 1.00 0.00 C ATOM 1198 CG ARG A 74 -19.690 10.230 -18.353 1.00 0.00 C ATOM 1199 CD ARG A 74 -20.120 8.756 -18.329 1.00 0.00 C ATOM 1200 NE ARG A 74 -20.766 8.420 -17.050 1.00 0.00 N ATOM 1201 CZ ARG A 74 -21.716 7.507 -16.820 1.00 0.00 C ATOM 1202 NH1 ARG A 74 -22.299 6.829 -17.808 1.00 0.00 N ATOM 1203 NH2 ARG A 74 -22.059 7.262 -15.563 1.00 0.00 N ATOM 0 H ARG A 74 -16.596 10.637 -20.775 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.938 9.124 -20.827 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.629 9.954 -18.865 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -18.235 11.568 -19.178 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -19.452 10.546 -17.337 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.530 10.838 -18.687 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.808 8.560 -19.151 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.251 8.116 -18.481 1.00 0.00 H new ATOM 0 HE ARG A 74 -20.450 8.949 -16.238 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.024 7.000 -18.775 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.020 6.139 -17.597 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.602 7.765 -14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.780 6.571 -15.357 1.00 0.00 H new ATOM 1217 N GLY A 75 -20.731 10.338 -21.935 1.00 0.00 N ATOM 1218 CA GLY A 75 -21.777 10.956 -22.749 1.00 0.00 C ATOM 1219 C GLY A 75 -22.547 12.042 -21.991 1.00 0.00 C ATOM 1220 O GLY A 75 -22.907 13.066 -22.579 1.00 0.00 O ATOM 0 H GLY A 75 -20.878 9.343 -21.767 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.328 11.390 -23.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -22.474 10.188 -23.083 1.00 0.00 H new ATOM 1224 N GLY A 76 -22.770 11.846 -20.690 1.00 0.00 N ATOM 1225 CA GLY A 76 -23.467 12.777 -19.813 1.00 0.00 C ATOM 1226 C GLY A 76 -23.516 12.200 -18.400 1.00 0.00 C ATOM 1227 O GLY A 76 -23.513 10.956 -18.264 1.00 0.00 O ATOM 1228 OXT GLY A 76 -23.548 12.995 -17.435 1.00 0.00 O ATOM 0 H GLY A 76 -22.458 11.004 -20.205 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.957 13.740 -19.807 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -24.478 12.954 -20.181 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLY B -3 -17.421 25.580 -42.466 1.00 0.00 N ATOM 1234 CA GLY B -3 -16.449 25.566 -41.345 1.00 0.00 C ATOM 1235 C GLY B -3 -15.075 25.057 -41.786 1.00 0.00 C ATOM 1236 O GLY B -3 -14.969 24.197 -42.667 1.00 0.00 O ATOM 0 H1 GLY B -3 -17.568 26.559 -42.786 1.00 0.00 H new ATOM 0 H2 GLY B -3 -17.051 25.010 -43.253 1.00 0.00 H new ATOM 0 H3 GLY B -3 -18.326 25.181 -42.145 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -16.350 26.572 -40.938 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -16.830 24.934 -40.543 1.00 0.00 H new ATOM 1242 N HIS B -2 -14.003 25.576 -41.167 1.00 0.00 N ATOM 1243 CA HIS B -2 -12.618 25.200 -41.484 1.00 0.00 C ATOM 1244 C HIS B -2 -12.372 23.713 -41.219 1.00 0.00 C ATOM 1245 O HIS B -2 -11.794 23.005 -42.049 1.00 0.00 O ATOM 1246 CB HIS B -2 -11.661 26.042 -40.631 1.00 0.00 C ATOM 1247 CG HIS B -2 -10.203 25.782 -40.927 1.00 0.00 C ATOM 1248 ND1 HIS B -2 -9.601 25.874 -42.185 1.00 0.00 N ATOM 1249 CD2 HIS B -2 -9.255 25.437 -40.004 1.00 0.00 C ATOM 1250 CE1 HIS B -2 -8.300 25.585 -41.988 1.00 0.00 C ATOM 1251 NE2 HIS B -2 -8.067 25.322 -40.688 1.00 0.00 N ATOM 0 H HIS B -2 -14.075 26.274 -40.427 1.00 0.00 H new ATOM 0 HA HIS B -2 -12.441 25.387 -42.543 1.00 0.00 H new ATOM 0 HB2 HIS B -2 -11.874 27.098 -40.795 1.00 0.00 H new ATOM 0 HB3 HIS B -2 -11.852 25.839 -39.577 1.00 0.00 H new ATOM 0 HD2 HIS B -2 -9.409 25.285 -38.946 1.00 0.00 H new ATOM 0 HE1 HIS B -2 -7.549 25.567 -42.764 1.00 0.00 H new ATOM 0 HE2 HIS B -2 -7.164 25.079 -40.280 1.00 0.00 H new ATOM 1259 N MET B -1 -12.838 23.240 -40.057 1.00 0.00 N ATOM 1260 CA MET B -1 -12.758 21.858 -39.605 1.00 0.00 C ATOM 1261 C MET B -1 -14.001 21.579 -38.756 1.00 0.00 C ATOM 1262 O MET B -1 -14.591 22.499 -38.181 1.00 0.00 O ATOM 1263 CB MET B -1 -11.487 21.634 -38.762 1.00 0.00 C ATOM 1264 CG MET B -1 -10.180 21.706 -39.556 1.00 0.00 C ATOM 1265 SD MET B -1 -8.706 21.379 -38.552 1.00 0.00 S ATOM 1266 CE MET B -1 -7.440 21.423 -39.852 1.00 0.00 C ATOM 0 H MET B -1 -13.302 23.844 -39.379 1.00 0.00 H new ATOM 0 HA MET B -1 -12.712 21.185 -40.461 1.00 0.00 H new ATOM 0 HB2 MET B -1 -11.457 22.380 -37.968 1.00 0.00 H new ATOM 0 HB3 MET B -1 -11.552 20.658 -38.281 1.00 0.00 H new ATOM 0 HG2 MET B -1 -10.220 20.986 -40.373 1.00 0.00 H new ATOM 0 HG3 MET B -1 -10.091 22.695 -40.006 1.00 0.00 H new ATOM 0 HE1 MET B -1 -6.460 21.240 -39.412 1.00 0.00 H new ATOM 0 HE2 MET B -1 -7.654 20.654 -40.594 1.00 0.00 H new ATOM 0 HE3 MET B -1 -7.445 22.402 -40.332 1.00 0.00 H new ATOM 1276 N ASP B 674 -14.360 20.301 -38.643 1.00 0.00 N ATOM 1277 CA ASP B 674 -15.519 19.823 -37.881 1.00 0.00 C ATOM 1278 C ASP B 674 -15.161 18.615 -36.999 1.00 0.00 C ATOM 1279 O ASP B 674 -15.999 18.092 -36.266 1.00 0.00 O ATOM 1280 CB ASP B 674 -16.651 19.485 -38.863 1.00 0.00 C ATOM 1281 CG ASP B 674 -17.976 19.138 -38.154 1.00 0.00 C ATOM 1282 OD1 ASP B 674 -18.512 19.996 -37.409 1.00 0.00 O ATOM 1283 OD2 ASP B 674 -18.534 18.044 -38.413 1.00 0.00 O ATOM 0 H ASP B 674 -13.840 19.546 -39.091 1.00 0.00 H new ATOM 0 HA ASP B 674 -15.850 20.610 -37.203 1.00 0.00 H new ATOM 0 HB2 ASP B 674 -16.812 20.332 -39.529 1.00 0.00 H new ATOM 0 HB3 ASP B 674 -16.346 18.644 -39.485 1.00 0.00 H new ATOM 1288 N GLU B 675 -13.892 18.187 -37.041 1.00 0.00 N ATOM 1289 CA GLU B 675 -13.349 17.054 -36.304 1.00 0.00 C ATOM 1290 C GLU B 675 -11.981 17.515 -35.832 1.00 0.00 C ATOM 1291 O GLU B 675 -11.092 17.765 -36.651 1.00 0.00 O ATOM 1292 CB GLU B 675 -13.250 15.804 -37.186 1.00 0.00 C ATOM 1293 CG GLU B 675 -14.641 15.340 -37.614 1.00 0.00 C ATOM 1294 CD GLU B 675 -14.577 14.086 -38.507 1.00 0.00 C ATOM 1295 OE1 GLU B 675 -14.346 12.968 -37.985 1.00 0.00 O ATOM 1296 OE2 GLU B 675 -14.768 14.205 -39.741 1.00 0.00 O ATOM 0 H GLU B 675 -13.189 18.648 -37.619 1.00 0.00 H new ATOM 0 HA GLU B 675 -13.990 16.766 -35.471 1.00 0.00 H new ATOM 0 HB2 GLU B 675 -12.645 16.020 -38.067 1.00 0.00 H new ATOM 0 HB3 GLU B 675 -12.746 15.006 -36.641 1.00 0.00 H new ATOM 0 HG2 GLU B 675 -15.241 15.126 -36.729 1.00 0.00 H new ATOM 0 HG3 GLU B 675 -15.143 16.144 -38.152 1.00 0.00 H new ATOM 1303 N LYS B 676 -11.833 17.688 -34.520 1.00 0.00 N ATOM 1304 CA LYS B 676 -10.685 18.375 -33.944 1.00 0.00 C ATOM 1305 C LYS B 676 -10.217 17.691 -32.663 1.00 0.00 C ATOM 1306 O LYS B 676 -10.332 18.255 -31.572 1.00 0.00 O ATOM 1307 CB LYS B 676 -11.072 19.853 -33.706 1.00 0.00 C ATOM 1308 CG LYS B 676 -11.855 20.534 -34.854 1.00 0.00 C ATOM 1309 CD LYS B 676 -12.046 22.043 -34.612 1.00 0.00 C ATOM 1310 CE LYS B 676 -12.688 22.343 -33.241 1.00 0.00 C ATOM 1311 NZ LYS B 676 -12.969 23.791 -33.054 1.00 0.00 N ATOM 0 H LYS B 676 -12.506 17.355 -33.829 1.00 0.00 H new ATOM 0 HA LYS B 676 -9.842 18.334 -34.633 1.00 0.00 H new ATOM 0 HB2 LYS B 676 -11.672 19.911 -32.798 1.00 0.00 H new ATOM 0 HB3 LYS B 676 -10.161 20.423 -33.524 1.00 0.00 H new ATOM 0 HG2 LYS B 676 -11.324 20.383 -35.794 1.00 0.00 H new ATOM 0 HG3 LYS B 676 -12.830 20.058 -34.959 1.00 0.00 H new ATOM 0 HD2 LYS B 676 -11.080 22.543 -34.675 1.00 0.00 H new ATOM 0 HD3 LYS B 676 -12.672 22.458 -35.402 1.00 0.00 H new ATOM 0 HE2 LYS B 676 -13.616 21.780 -33.146 1.00 0.00 H new ATOM 0 HE3 LYS B 676 -12.024 21.999 -32.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 -13.399 23.943 -32.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 -12.081 24.328 -33.118 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 -13.624 24.116 -33.794 1.00 0.00 H new ATOM 1325 N ILE B 677 -9.731 16.449 -32.771 1.00 0.00 N ATOM 1326 CA ILE B 677 -9.058 15.815 -31.638 1.00 0.00 C ATOM 1327 C ILE B 677 -7.924 16.749 -31.221 1.00 0.00 C ATOM 1328 O ILE B 677 -7.198 17.267 -32.079 1.00 0.00 O ATOM 1329 CB ILE B 677 -8.529 14.409 -31.983 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -9.729 13.491 -32.304 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -7.656 13.838 -30.833 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -9.308 12.134 -32.874 1.00 0.00 C ATOM 0 H ILE B 677 -9.790 15.876 -33.613 1.00 0.00 H new ATOM 0 HA ILE B 677 -9.763 15.665 -30.820 1.00 0.00 H new ATOM 0 HB ILE B 677 -7.883 14.467 -32.859 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -10.311 13.333 -31.396 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -10.382 13.992 -33.018 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -7.298 12.845 -31.106 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -6.805 14.496 -30.661 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -8.252 13.771 -29.923 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -10.195 11.535 -33.079 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -8.750 12.285 -33.798 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -8.679 11.615 -32.151 1.00 0.00 H new ATOM 1344 N THR B 678 -7.749 16.935 -29.922 1.00 0.00 N ATOM 1345 CA THR B 678 -6.737 17.788 -29.359 1.00 0.00 C ATOM 1346 C THR B 678 -6.006 17.072 -28.220 1.00 0.00 C ATOM 1347 O THR B 678 -6.506 16.135 -27.587 1.00 0.00 O ATOM 1348 CB THR B 678 -7.409 19.123 -29.003 1.00 0.00 C ATOM 1349 OG1 THR B 678 -6.427 20.109 -28.738 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.411 19.054 -27.845 1.00 0.00 C ATOM 0 H THR B 678 -8.329 16.479 -29.217 1.00 0.00 H new ATOM 0 HA THR B 678 -5.937 18.019 -30.063 1.00 0.00 H new ATOM 0 HB THR B 678 -7.998 19.392 -29.880 1.00 0.00 H new ATOM 0 HG1 THR B 678 -6.866 20.956 -28.514 1.00 0.00 H new ATOM 0 HG21 THR B 678 -8.832 20.044 -27.669 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.212 18.359 -28.098 1.00 0.00 H new ATOM 0 HG23 THR B 678 -7.903 18.710 -26.944 1.00 0.00 H new ATOM 1358 N PHE B 679 -4.778 17.531 -28.006 1.00 0.00 N ATOM 1359 CA PHE B 679 -3.799 16.982 -27.082 1.00 0.00 C ATOM 1360 C PHE B 679 -3.384 18.113 -26.121 1.00 0.00 C ATOM 1361 O PHE B 679 -2.425 18.840 -26.402 1.00 0.00 O ATOM 1362 CB PHE B 679 -2.635 16.354 -27.856 1.00 0.00 C ATOM 1363 CG PHE B 679 -2.956 15.000 -28.472 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -2.972 13.838 -27.668 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.231 14.885 -29.847 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.231 12.580 -28.228 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.477 13.622 -30.417 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.469 12.470 -29.611 1.00 0.00 C ATOM 0 H PHE B 679 -4.420 18.346 -28.504 1.00 0.00 H new ATOM 0 HA PHE B 679 -4.211 16.169 -26.483 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.329 17.038 -28.648 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -1.784 16.243 -27.184 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -2.782 13.921 -26.608 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.253 15.769 -30.467 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.248 11.700 -27.602 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -3.672 13.537 -31.476 1.00 0.00 H new ATOM 0 HZ PHE B 679 -3.645 11.501 -30.053 1.00 0.00 H new ATOM 1378 N PRO B 680 -4.162 18.346 -25.047 1.00 0.00 N ATOM 1379 CA PRO B 680 -3.959 19.427 -24.076 1.00 0.00 C ATOM 1380 C PRO B 680 -2.775 19.142 -23.138 1.00 0.00 C ATOM 1381 O PRO B 680 -2.171 18.074 -23.176 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.281 19.462 -23.282 1.00 0.00 C ATOM 1383 CG PRO B 680 -5.636 17.980 -23.232 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.315 17.550 -24.657 1.00 0.00 C ATOM 0 HA PRO B 680 -3.722 20.373 -24.563 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -5.152 19.888 -22.287 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -6.047 20.052 -23.785 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -5.042 17.439 -22.495 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -6.683 17.816 -22.979 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -5.092 16.484 -24.705 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -6.160 17.729 -25.322 1.00 0.00 H new ATOM 1392 N SER B 681 -2.550 20.032 -22.173 1.00 0.00 N ATOM 1393 CA SER B 681 -1.621 19.880 -21.052 1.00 0.00 C ATOM 1394 C SER B 681 -1.987 18.733 -20.077 1.00 0.00 C ATOM 1395 O SER B 681 -1.490 18.707 -18.949 1.00 0.00 O ATOM 1396 CB SER B 681 -1.543 21.228 -20.312 1.00 0.00 C ATOM 1397 OG SER B 681 -1.441 22.324 -21.221 1.00 0.00 O ATOM 0 H SER B 681 -3.037 20.928 -22.150 1.00 0.00 H new ATOM 0 HA SER B 681 -0.650 19.597 -21.459 1.00 0.00 H new ATOM 0 HB2 SER B 681 -2.429 21.353 -19.689 1.00 0.00 H new ATOM 0 HB3 SER B 681 -0.681 21.227 -19.644 1.00 0.00 H new ATOM 0 HG SER B 681 -1.395 23.163 -20.717 1.00 0.00 H new ATOM 1403 N ASP B 682 -2.835 17.782 -20.494 1.00 0.00 N ATOM 1404 CA ASP B 682 -3.183 16.579 -19.735 1.00 0.00 C ATOM 1405 C ASP B 682 -3.153 15.307 -20.585 1.00 0.00 C ATOM 1406 O ASP B 682 -3.128 14.214 -20.017 1.00 0.00 O ATOM 1407 CB ASP B 682 -4.565 16.703 -19.083 1.00 0.00 C ATOM 1408 CG ASP B 682 -4.623 17.788 -18.001 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -4.300 17.495 -16.827 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.018 18.937 -18.320 1.00 0.00 O ATOM 0 H ASP B 682 -3.310 17.833 -21.395 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.417 16.494 -18.964 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.305 16.925 -19.852 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -4.840 15.744 -18.643 1.00 0.00 H new ATOM 1415 N ILE B 683 -3.156 15.398 -21.927 1.00 0.00 N ATOM 1416 CA ILE B 683 -3.115 14.250 -22.823 1.00 0.00 C ATOM 1417 C ILE B 683 -2.233 14.624 -24.024 1.00 0.00 C ATOM 1418 O ILE B 683 -2.481 15.641 -24.658 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.551 13.811 -23.201 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.247 13.130 -21.998 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.532 12.842 -24.400 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -5.979 14.009 -20.993 1.00 0.00 C ATOM 0 H ILE B 683 -3.188 16.291 -22.418 1.00 0.00 H new ATOM 0 HA ILE B 683 -2.670 13.378 -22.344 1.00 0.00 H new ATOM 0 HB ILE B 683 -5.109 14.705 -23.479 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -5.963 12.410 -22.393 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -4.491 12.563 -21.455 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.552 12.548 -24.646 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -4.079 13.336 -25.260 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -3.951 11.956 -24.143 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.412 13.385 -20.211 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.277 14.714 -20.547 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.772 14.558 -21.500 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.228 13.809 -24.356 1.00 0.00 N ATOM 1435 CA ASP B 684 -0.193 14.065 -25.361 1.00 0.00 C ATOM 1436 C ASP B 684 -0.030 12.819 -26.247 1.00 0.00 C ATOM 1437 O ASP B 684 -0.216 11.705 -25.741 1.00 0.00 O ATOM 1438 CB ASP B 684 1.132 14.350 -24.648 1.00 0.00 C ATOM 1439 CG ASP B 684 2.307 14.525 -25.613 1.00 0.00 C ATOM 1440 OD1 ASP B 684 2.944 13.502 -25.950 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.606 15.680 -25.996 1.00 0.00 O ATOM 0 H ASP B 684 -1.108 12.902 -23.905 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.476 14.919 -25.976 1.00 0.00 H new ATOM 0 HB2 ASP B 684 1.027 15.252 -24.045 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.352 13.532 -23.962 1.00 0.00 H new ATOM 1446 N PRO B 685 0.299 12.948 -27.550 1.00 0.00 N ATOM 1447 CA PRO B 685 0.407 11.802 -28.435 1.00 0.00 C ATOM 1448 C PRO B 685 1.349 10.704 -27.935 1.00 0.00 C ATOM 1449 O PRO B 685 1.089 9.543 -28.230 1.00 0.00 O ATOM 1450 CB PRO B 685 0.876 12.343 -29.788 1.00 0.00 C ATOM 1451 CG PRO B 685 0.404 13.791 -29.774 1.00 0.00 C ATOM 1452 CD PRO B 685 0.526 14.176 -28.302 1.00 0.00 C ATOM 0 HA PRO B 685 -0.566 11.314 -28.495 1.00 0.00 H new ATOM 0 HB2 PRO B 685 1.959 12.275 -29.894 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.439 11.786 -30.617 1.00 0.00 H new ATOM 0 HG2 PRO B 685 1.023 14.424 -30.410 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -0.621 13.885 -30.132 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.511 14.590 -28.086 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.206 14.939 -28.035 1.00 0.00 H new ATOM 1460 N GLN B 686 2.429 11.015 -27.202 1.00 0.00 N ATOM 1461 CA GLN B 686 3.414 9.994 -26.865 1.00 0.00 C ATOM 1462 C GLN B 686 2.796 8.894 -25.997 1.00 0.00 C ATOM 1463 O GLN B 686 2.893 7.731 -26.387 1.00 0.00 O ATOM 1464 CB GLN B 686 4.747 10.596 -26.362 1.00 0.00 C ATOM 1465 CG GLN B 686 5.280 10.138 -24.991 1.00 0.00 C ATOM 1466 CD GLN B 686 4.679 10.818 -23.756 1.00 0.00 C ATOM 1467 OE1 GLN B 686 4.936 10.387 -22.636 1.00 0.00 O ATOM 1468 NE2 GLN B 686 3.867 11.858 -23.889 1.00 0.00 N ATOM 0 H GLN B 686 2.634 11.947 -26.841 1.00 0.00 H new ATOM 0 HA GLN B 686 3.714 9.481 -27.779 1.00 0.00 H new ATOM 0 HB2 GLN B 686 5.513 10.379 -27.107 1.00 0.00 H new ATOM 0 HB3 GLN B 686 4.632 11.679 -26.330 1.00 0.00 H new ATOM 0 HG2 GLN B 686 5.114 9.064 -24.903 1.00 0.00 H new ATOM 0 HG3 GLN B 686 6.358 10.296 -24.975 1.00 0.00 H new ATOM 0 HE21 GLN B 686 3.650 12.220 -24.818 1.00 0.00 H new ATOM 0 HE22 GLN B 686 3.459 12.296 -23.063 1.00 0.00 H new ATOM 1477 N VAL B 687 2.108 9.193 -24.881 1.00 0.00 N ATOM 1478 CA VAL B 687 1.484 8.137 -24.104 1.00 0.00 C ATOM 1479 C VAL B 687 0.457 7.421 -24.970 1.00 0.00 C ATOM 1480 O VAL B 687 0.327 6.211 -24.848 1.00 0.00 O ATOM 1481 CB VAL B 687 0.839 8.705 -22.837 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.495 7.578 -21.857 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.773 9.688 -22.131 1.00 0.00 C ATOM 0 H VAL B 687 1.978 10.136 -24.513 1.00 0.00 H new ATOM 0 HA VAL B 687 2.243 7.421 -23.789 1.00 0.00 H new ATOM 0 HB VAL B 687 -0.068 9.225 -23.144 1.00 0.00 H new ATOM 0 HG11 VAL B 687 0.038 8.001 -20.962 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -0.202 6.886 -22.329 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.405 7.045 -21.582 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.286 10.073 -21.235 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.695 9.177 -21.852 1.00 0.00 H new ATOM 0 HG23 VAL B 687 2.005 10.515 -22.802 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.234 8.124 -25.870 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.206 7.503 -26.746 1.00 0.00 C ATOM 1495 C PHE B 688 -0.560 6.480 -27.688 1.00 0.00 C ATOM 1496 O PHE B 688 -1.125 5.416 -27.938 1.00 0.00 O ATOM 1497 CB PHE B 688 -1.971 8.589 -27.517 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.306 8.135 -28.052 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.285 7.686 -27.149 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.602 8.205 -29.425 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.556 7.311 -27.604 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -4.864 7.800 -29.889 1.00 0.00 C ATOM 1503 CZ PHE B 688 -5.830 7.332 -28.983 1.00 0.00 C ATOM 0 H PHE B 688 -0.131 9.130 -26.005 1.00 0.00 H new ATOM 0 HA PHE B 688 -1.915 6.944 -26.136 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -2.126 9.445 -26.861 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.355 8.932 -28.348 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -4.056 7.630 -26.095 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -2.861 8.569 -30.121 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.319 7.008 -26.902 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -5.092 7.848 -30.944 1.00 0.00 H new ATOM 0 HZ PHE B 688 -6.787 6.987 -29.347 1.00 0.00 H new ATOM 1513 N TYR B 689 0.640 6.775 -28.183 1.00 0.00 N ATOM 1514 CA TYR B 689 1.435 5.895 -29.028 1.00 0.00 C ATOM 1515 C TYR B 689 2.078 4.759 -28.232 1.00 0.00 C ATOM 1516 O TYR B 689 2.496 3.762 -28.825 1.00 0.00 O ATOM 1517 CB TYR B 689 2.513 6.715 -29.744 1.00 0.00 C ATOM 1518 CG TYR B 689 2.024 7.805 -30.685 1.00 0.00 C ATOM 1519 CD1 TYR B 689 0.710 7.809 -31.197 1.00 0.00 C ATOM 1520 CD2 TYR B 689 2.920 8.820 -31.067 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.302 8.807 -32.096 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.521 9.826 -31.968 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.207 9.822 -32.491 1.00 0.00 C ATOM 1524 OH TYR B 689 0.795 10.781 -33.371 1.00 0.00 O ATOM 0 H TYR B 689 1.100 7.667 -27.998 1.00 0.00 H new ATOM 0 HA TYR B 689 0.768 5.438 -29.759 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.148 7.177 -28.988 1.00 0.00 H new ATOM 0 HB3 TYR B 689 3.141 6.030 -30.313 1.00 0.00 H new ATOM 0 HD1 TYR B 689 0.014 7.040 -30.896 1.00 0.00 H new ATOM 0 HD2 TYR B 689 3.923 8.828 -30.666 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.705 8.801 -32.487 1.00 0.00 H new ATOM 0 HE2 TYR B 689 3.217 10.599 -32.259 1.00 0.00 H new ATOM 0 HH TYR B 689 1.530 11.406 -33.542 1.00 0.00 H new ATOM 1534 N GLU B 690 2.165 4.898 -26.914 1.00 0.00 N ATOM 1535 CA GLU B 690 2.934 4.012 -26.053 1.00 0.00 C ATOM 1536 C GLU B 690 2.032 3.022 -25.320 1.00 0.00 C ATOM 1537 O GLU B 690 2.440 1.878 -25.092 1.00 0.00 O ATOM 1538 CB GLU B 690 3.729 4.918 -25.091 1.00 0.00 C ATOM 1539 CG GLU B 690 3.996 4.342 -23.706 1.00 0.00 C ATOM 1540 CD GLU B 690 4.710 5.358 -22.805 1.00 0.00 C ATOM 1541 OE1 GLU B 690 4.013 6.188 -22.176 1.00 0.00 O ATOM 1542 OE2 GLU B 690 5.959 5.341 -22.700 1.00 0.00 O ATOM 0 H GLU B 690 1.693 5.645 -26.405 1.00 0.00 H new ATOM 0 HA GLU B 690 3.617 3.392 -26.633 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.686 5.157 -25.555 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.187 5.857 -24.975 1.00 0.00 H new ATOM 0 HG2 GLU B 690 3.054 4.045 -23.246 1.00 0.00 H new ATOM 0 HG3 GLU B 690 4.605 3.442 -23.796 1.00 0.00 H new ATOM 1549 N LEU B 691 0.819 3.446 -24.950 1.00 0.00 N ATOM 1550 CA LEU B 691 -0.192 2.554 -24.408 1.00 0.00 C ATOM 1551 C LEU B 691 -0.559 1.495 -25.453 1.00 0.00 C ATOM 1552 O LEU B 691 -0.203 1.610 -26.630 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.387 3.350 -23.832 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.250 4.206 -24.777 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -3.024 3.407 -25.811 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -3.259 4.996 -23.932 1.00 0.00 C ATOM 0 H LEU B 691 0.518 4.418 -25.021 1.00 0.00 H new ATOM 0 HA LEU B 691 0.204 2.006 -23.553 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -2.049 2.637 -23.341 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -0.997 4.010 -23.057 1.00 0.00 H new ATOM 0 HG LEU B 691 -1.562 4.850 -25.325 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -3.605 4.086 -26.435 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -2.327 2.848 -26.435 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -3.696 2.713 -25.306 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -3.880 5.609 -24.585 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -3.891 4.302 -23.377 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -2.724 5.638 -23.233 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.271 0.460 -24.999 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.675 -0.670 -25.820 1.00 0.00 C ATOM 1570 C ALA B 692 -2.325 -0.179 -27.108 1.00 0.00 C ATOM 1571 O ALA B 692 -3.279 0.594 -27.056 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.651 -1.542 -25.028 1.00 0.00 C ATOM 0 H ALA B 692 -1.586 0.389 -24.031 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.798 -1.260 -26.085 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -2.958 -2.391 -25.638 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.164 -1.903 -24.122 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.528 -0.954 -24.758 1.00 0.00 H new ATOM 1578 N GLU B 693 -1.854 -0.650 -28.261 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.370 -0.211 -29.555 1.00 0.00 C ATOM 1580 C GLU B 693 -3.866 -0.434 -29.636 1.00 0.00 C ATOM 1581 O GLU B 693 -4.586 0.428 -30.124 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.694 -0.987 -30.682 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.302 -0.399 -30.969 1.00 0.00 C ATOM 1584 CD GLU B 693 0.473 -1.242 -31.997 1.00 0.00 C ATOM 1585 OE1 GLU B 693 0.352 -0.987 -33.222 1.00 0.00 O ATOM 1586 OE2 GLU B 693 1.232 -2.158 -31.594 1.00 0.00 O ATOM 0 H GLU B 693 -1.108 -1.343 -28.324 1.00 0.00 H new ATOM 0 HA GLU B 693 -2.157 0.853 -29.660 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.604 -2.038 -30.407 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.308 -0.945 -31.582 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.407 0.620 -31.340 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.267 -0.343 -30.041 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.355 -1.552 -29.102 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.770 -1.850 -29.188 1.00 0.00 C ATOM 1595 C ALA B 694 -6.599 -0.795 -28.433 1.00 0.00 C ATOM 1596 O ALA B 694 -7.655 -0.379 -28.905 1.00 0.00 O ATOM 1597 CB ALA B 694 -6.011 -3.260 -28.651 1.00 0.00 C ATOM 0 H ALA B 694 -3.797 -2.252 -28.614 1.00 0.00 H new ATOM 0 HA ALA B 694 -6.094 -1.813 -30.228 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -7.074 -3.495 -28.711 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.446 -3.978 -29.246 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.685 -3.314 -27.612 1.00 0.00 H new ATOM 1603 N VAL B 695 -6.086 -0.309 -27.293 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.676 0.798 -26.542 1.00 0.00 C ATOM 1605 C VAL B 695 -6.578 2.076 -27.372 1.00 0.00 C ATOM 1606 O VAL B 695 -7.560 2.800 -27.445 1.00 0.00 O ATOM 1607 CB VAL B 695 -5.992 0.924 -25.157 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.148 2.295 -24.487 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.535 -0.123 -24.184 1.00 0.00 C ATOM 0 H VAL B 695 -5.239 -0.682 -26.865 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.733 0.611 -26.352 1.00 0.00 H new ATOM 0 HB VAL B 695 -4.933 0.773 -25.369 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.638 2.289 -23.524 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.711 3.063 -25.125 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.206 2.508 -24.336 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -6.040 -0.014 -23.219 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.608 0.019 -24.059 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.344 -1.121 -24.579 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.436 2.361 -28.009 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.278 3.545 -28.850 1.00 0.00 C ATOM 1621 C GLN B 696 -6.327 3.540 -29.958 1.00 0.00 C ATOM 1622 O GLN B 696 -6.982 4.552 -30.153 1.00 0.00 O ATOM 1623 CB GLN B 696 -3.857 3.563 -29.423 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.526 4.763 -30.310 1.00 0.00 C ATOM 1625 CD GLN B 696 -2.304 4.452 -31.166 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -2.379 4.382 -32.392 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -1.170 4.202 -30.532 1.00 0.00 N ATOM 0 H GLN B 696 -4.601 1.778 -27.954 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.426 4.449 -28.259 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.149 3.538 -28.595 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.704 2.652 -30.001 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -4.377 5.001 -30.948 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.335 5.641 -29.693 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -1.130 4.266 -29.515 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -0.336 3.945 -31.060 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.528 2.426 -30.667 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.511 2.354 -31.751 1.00 0.00 C ATOM 1638 C LYS B 697 -8.919 2.557 -31.199 1.00 0.00 C ATOM 1639 O LYS B 697 -9.686 3.347 -31.747 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.414 1.000 -32.477 1.00 0.00 C ATOM 1641 CG LYS B 697 -6.059 0.749 -33.165 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.662 1.785 -34.234 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.667 1.954 -35.389 1.00 0.00 C ATOM 1644 NZ LYS B 697 -6.777 0.746 -36.257 1.00 0.00 N ATOM 0 H LYS B 697 -6.019 1.556 -30.508 1.00 0.00 H new ATOM 0 HA LYS B 697 -7.296 3.147 -32.467 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.598 0.201 -31.759 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -8.205 0.944 -33.225 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -5.282 0.723 -32.401 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -6.083 -0.237 -33.629 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.526 2.751 -33.748 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.697 1.500 -34.652 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -7.649 2.187 -34.976 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -6.368 2.806 -36.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -7.468 0.924 -37.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.850 0.535 -36.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -7.090 -0.065 -35.686 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.245 1.876 -30.103 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.566 1.977 -29.480 1.00 0.00 C ATOM 1660 C GLU B 698 -10.843 3.416 -29.026 1.00 0.00 C ATOM 1661 O GLU B 698 -11.924 3.956 -29.265 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.652 0.975 -28.316 1.00 0.00 C ATOM 1663 CG GLU B 698 -12.046 0.933 -27.675 1.00 0.00 C ATOM 1664 CD GLU B 698 -12.174 -0.237 -26.683 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -12.525 -1.363 -27.111 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -11.951 -0.033 -25.466 1.00 0.00 O ATOM 0 H GLU B 698 -8.607 1.242 -29.623 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.338 1.725 -30.207 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -10.393 -0.020 -28.678 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -9.915 1.240 -27.558 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -12.239 1.873 -27.158 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -12.803 0.836 -28.453 1.00 0.00 H new ATOM 1673 N LEU B 699 -9.844 4.065 -28.422 1.00 0.00 N ATOM 1674 CA LEU B 699 -9.932 5.453 -27.984 1.00 0.00 C ATOM 1675 C LEU B 699 -10.034 6.371 -29.173 1.00 0.00 C ATOM 1676 O LEU B 699 -10.857 7.261 -29.149 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.678 5.865 -27.209 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.753 5.469 -25.742 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.336 5.419 -25.156 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.623 6.471 -24.949 1.00 0.00 C ATOM 0 H LEU B 699 -8.942 3.632 -28.223 1.00 0.00 H new ATOM 0 HA LEU B 699 -10.815 5.532 -27.349 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -7.803 5.401 -27.664 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.544 6.944 -27.286 1.00 0.00 H new ATOM 0 HG LEU B 699 -9.214 4.484 -25.664 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.387 5.135 -24.105 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.742 4.685 -25.701 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -6.871 6.401 -25.245 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.663 6.169 -23.902 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.188 7.468 -25.023 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.632 6.484 -25.362 1.00 0.00 H new ATOM 1692 N LEU B 700 -9.221 6.179 -30.203 1.00 0.00 N ATOM 1693 CA LEU B 700 -9.193 7.048 -31.367 1.00 0.00 C ATOM 1694 C LEU B 700 -10.555 7.060 -32.049 1.00 0.00 C ATOM 1695 O LEU B 700 -11.027 8.117 -32.458 1.00 0.00 O ATOM 1696 CB LEU B 700 -8.086 6.538 -32.298 1.00 0.00 C ATOM 1697 CG LEU B 700 -7.931 7.322 -33.610 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.656 8.805 -33.350 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.779 6.701 -34.401 1.00 0.00 C ATOM 0 H LEU B 700 -8.556 5.407 -30.252 1.00 0.00 H new ATOM 0 HA LEU B 700 -8.979 8.079 -31.084 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -7.138 6.566 -31.761 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -8.285 5.494 -32.537 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.861 7.263 -34.176 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -7.552 9.328 -34.301 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.485 9.236 -32.788 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.735 8.909 -32.776 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.649 7.241 -35.339 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.861 6.763 -33.816 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -7.005 5.656 -34.613 1.00 0.00 H new ATOM 1711 N ALA B 701 -11.208 5.898 -32.120 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.581 5.804 -32.584 1.00 0.00 C ATOM 1713 C ALA B 701 -13.515 6.610 -31.672 1.00 0.00 C ATOM 1714 O ALA B 701 -14.353 7.349 -32.171 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.995 4.331 -32.675 1.00 0.00 C ATOM 0 H ALA B 701 -10.796 5.003 -31.857 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.659 6.237 -33.581 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -14.026 4.264 -33.023 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -12.341 3.812 -33.375 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.914 3.869 -31.691 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.345 6.536 -30.349 1.00 0.00 N ATOM 1722 CA GLU B 702 -14.062 7.376 -29.394 1.00 0.00 C ATOM 1723 C GLU B 702 -13.825 8.866 -29.699 1.00 0.00 C ATOM 1724 O GLU B 702 -14.762 9.644 -29.863 1.00 0.00 O ATOM 1725 CB GLU B 702 -13.615 7.025 -27.961 1.00 0.00 C ATOM 1726 CG GLU B 702 -14.749 6.863 -26.950 1.00 0.00 C ATOM 1727 CD GLU B 702 -15.450 5.496 -27.064 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -16.312 5.315 -27.958 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -15.135 4.610 -26.231 1.00 0.00 O ATOM 0 H GLU B 702 -12.697 5.882 -29.909 1.00 0.00 H new ATOM 0 HA GLU B 702 -15.132 7.187 -29.482 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -13.042 6.098 -27.992 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -12.941 7.805 -27.606 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -14.352 6.981 -25.942 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.481 7.657 -27.100 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.570 9.285 -29.827 1.00 0.00 N ATOM 1737 CA TRP B 703 -12.168 10.668 -29.944 1.00 0.00 C ATOM 1738 C TRP B 703 -12.652 11.269 -31.272 1.00 0.00 C ATOM 1739 O TRP B 703 -12.980 12.453 -31.322 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.641 10.687 -29.781 1.00 0.00 C ATOM 1741 CG TRP B 703 -10.041 10.106 -28.519 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.685 9.635 -27.425 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.640 10.068 -28.147 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -9.794 9.317 -26.424 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.524 9.653 -26.793 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.465 10.466 -28.792 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.347 9.760 -26.058 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.258 10.579 -28.068 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.211 10.280 -26.688 1.00 0.00 C ATOM 0 H TRP B 703 -11.781 8.640 -29.852 1.00 0.00 H new ATOM 0 HA TRP B 703 -12.622 11.295 -29.177 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -10.211 10.153 -30.628 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -10.313 11.724 -29.857 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -11.756 9.523 -27.348 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -10.048 8.891 -25.533 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.481 10.688 -29.849 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.311 9.449 -25.024 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.360 10.898 -28.575 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.306 10.451 -26.124 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.779 10.449 -32.324 1.00 0.00 N ATOM 1761 CA LYS B 704 -13.264 10.897 -33.626 1.00 0.00 C ATOM 1762 C LYS B 704 -14.778 10.732 -33.793 1.00 0.00 C ATOM 1763 O LYS B 704 -15.352 11.411 -34.643 1.00 0.00 O ATOM 1764 CB LYS B 704 -12.477 10.220 -34.769 1.00 0.00 C ATOM 1765 CG LYS B 704 -13.022 8.859 -35.225 1.00 0.00 C ATOM 1766 CD LYS B 704 -12.140 8.235 -36.317 1.00 0.00 C ATOM 1767 CE LYS B 704 -12.790 6.954 -36.869 1.00 0.00 C ATOM 1768 NZ LYS B 704 -12.021 6.371 -38.005 1.00 0.00 N ATOM 0 H LYS B 704 -12.547 9.456 -32.291 1.00 0.00 H new ATOM 0 HA LYS B 704 -13.080 11.970 -33.680 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -12.463 10.893 -35.626 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -11.443 10.090 -34.449 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -13.078 8.184 -34.371 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -14.038 8.981 -35.602 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -11.990 8.951 -37.125 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -11.156 8.004 -35.910 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -12.868 6.216 -36.070 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -13.805 7.177 -37.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -12.498 5.511 -38.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -11.967 7.063 -38.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -11.060 6.132 -37.687 1.00 0.00 H new ATOM 1782 N ARG B 705 -15.444 9.857 -33.020 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.894 9.646 -33.193 1.00 0.00 C ATOM 1784 C ARG B 705 -17.653 10.756 -32.486 1.00 0.00 C ATOM 1785 O ARG B 705 -18.696 11.203 -32.961 1.00 0.00 O ATOM 1786 CB ARG B 705 -17.356 8.237 -32.760 1.00 0.00 C ATOM 1787 CG ARG B 705 -17.505 8.050 -31.242 1.00 0.00 C ATOM 1788 CD ARG B 705 -17.431 6.599 -30.765 1.00 0.00 C ATOM 1789 NE ARG B 705 -18.556 5.764 -31.213 1.00 0.00 N ATOM 1790 CZ ARG B 705 -18.947 4.624 -30.623 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -18.330 4.167 -29.533 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -19.963 3.932 -31.135 1.00 0.00 N ATOM 0 H ARG B 705 -15.015 9.295 -32.285 1.00 0.00 H new ATOM 0 HA ARG B 705 -17.121 9.693 -34.258 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -18.313 8.021 -33.235 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -16.642 7.504 -33.135 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -16.725 8.623 -30.741 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -18.460 8.472 -30.930 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -16.500 6.157 -31.121 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -17.394 6.587 -29.676 1.00 0.00 H new ATOM 0 HE ARG B 705 -19.077 6.074 -32.033 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -17.547 4.686 -29.135 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -18.641 3.299 -29.097 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -20.440 4.269 -31.971 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -20.265 3.065 -30.691 1.00 0.00 H new ATOM 1806 N THR B 706 -17.104 11.212 -31.359 1.00 0.00 N ATOM 1807 CA THR B 706 -17.556 12.402 -30.661 1.00 0.00 C ATOM 1808 C THR B 706 -17.317 13.607 -31.577 1.00 0.00 C ATOM 1809 O THR B 706 -18.161 14.497 -31.687 1.00 0.00 O ATOM 1810 CB THR B 706 -16.792 12.495 -29.336 1.00 0.00 C ATOM 1811 OG1 THR B 706 -15.402 12.411 -29.589 1.00 0.00 O ATOM 1812 CG2 THR B 706 -17.151 11.321 -28.431 1.00 0.00 C ATOM 0 H THR B 706 -16.317 10.750 -30.902 1.00 0.00 H new ATOM 0 HA THR B 706 -18.620 12.372 -30.425 1.00 0.00 H new ATOM 0 HB THR B 706 -17.055 13.439 -28.859 1.00 0.00 H new ATOM 0 HG1 THR B 706 -15.121 11.473 -29.561 1.00 0.00 H new ATOM 0 HG21 THR B 706 -16.600 11.402 -27.494 1.00 0.00 H new ATOM 0 HG22 THR B 706 -18.221 11.335 -28.225 1.00 0.00 H new ATOM 0 HG23 THR B 706 -16.889 10.386 -28.926 1.00 0.00 H new ATOM 1820 N GLY B 707 -16.177 13.584 -32.276 1.00 0.00 N ATOM 1821 CA GLY B 707 -15.824 14.487 -33.358 1.00 0.00 C ATOM 1822 C GLY B 707 -14.550 15.228 -32.992 1.00 0.00 C ATOM 1823 O GLY B 707 -13.560 15.193 -33.725 1.00 0.00 O ATOM 0 H GLY B 707 -15.445 12.899 -32.087 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -15.681 13.928 -34.283 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.633 15.195 -33.536 1.00 0.00 H new ATOM 1827 N SER B 708 -14.568 15.829 -31.805 1.00 0.00 N ATOM 1828 CA SER B 708 -13.491 16.643 -31.260 1.00 0.00 C ATOM 1829 C SER B 708 -13.257 16.237 -29.798 1.00 0.00 C ATOM 1830 O SER B 708 -12.970 17.086 -28.955 1.00 0.00 O ATOM 1831 CB SER B 708 -13.861 18.120 -31.440 1.00 0.00 C ATOM 1832 OG SER B 708 -14.119 18.378 -32.814 1.00 0.00 O ATOM 0 H SER B 708 -15.366 15.758 -31.174 1.00 0.00 H new ATOM 0 HA SER B 708 -12.548 16.484 -31.784 1.00 0.00 H new ATOM 0 HB2 SER B 708 -14.740 18.362 -30.842 1.00 0.00 H new ATOM 0 HB3 SER B 708 -13.049 18.755 -31.085 1.00 0.00 H new ATOM 0 HG SER B 708 -14.357 19.321 -32.931 1.00 0.00 H new ATOM 1838 N ASP B 709 -13.434 14.938 -29.506 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.097 14.266 -28.248 1.00 0.00 C ATOM 1840 C ASP B 709 -13.786 14.801 -26.981 1.00 0.00 C ATOM 1841 O ASP B 709 -13.445 14.398 -25.865 1.00 0.00 O ATOM 1842 CB ASP B 709 -11.576 14.147 -28.092 1.00 0.00 C ATOM 1843 CG ASP B 709 -10.825 15.429 -27.633 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -11.106 16.015 -26.554 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -9.876 15.814 -28.357 1.00 0.00 O ATOM 0 H ASP B 709 -13.840 14.294 -30.184 1.00 0.00 H new ATOM 0 HA ASP B 709 -13.527 13.268 -28.340 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.367 13.354 -27.374 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.158 13.830 -29.048 1.00 0.00 H new ATOM 1850 N PHE B 710 -14.822 15.626 -27.152 1.00 0.00 N ATOM 1851 CA PHE B 710 -15.503 16.423 -26.147 1.00 0.00 C ATOM 1852 C PHE B 710 -14.559 17.415 -25.445 1.00 0.00 C ATOM 1853 O PHE B 710 -14.678 18.621 -25.678 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.263 15.530 -25.162 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.389 14.678 -25.722 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.348 15.217 -26.606 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.513 13.343 -25.298 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -19.416 14.423 -27.058 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.587 12.556 -25.741 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.539 13.093 -26.622 1.00 0.00 C ATOM 0 H PHE B 710 -15.234 15.759 -28.075 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.242 17.038 -26.661 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.543 14.866 -24.684 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -16.678 16.166 -24.380 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -18.261 16.242 -26.936 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.778 12.921 -24.628 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.143 14.836 -27.741 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.681 11.535 -25.403 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.364 12.485 -26.964 1.00 0.00 H new ATOM 1870 N HIS B 711 -13.652 16.932 -24.592 1.00 0.00 N ATOM 1871 CA HIS B 711 -12.820 17.735 -23.691 1.00 0.00 C ATOM 1872 C HIS B 711 -11.869 16.811 -22.923 1.00 0.00 C ATOM 1873 O HIS B 711 -11.975 16.664 -21.707 1.00 0.00 O ATOM 1874 CB HIS B 711 -13.670 18.622 -22.744 1.00 0.00 C ATOM 1875 CG HIS B 711 -14.957 18.022 -22.205 1.00 0.00 C ATOM 1876 ND1 HIS B 711 -16.177 18.706 -22.147 1.00 0.00 N ATOM 1877 CD2 HIS B 711 -15.137 16.756 -21.719 1.00 0.00 C ATOM 1878 CE1 HIS B 711 -17.061 17.835 -21.628 1.00 0.00 C ATOM 1879 NE2 HIS B 711 -16.464 16.658 -21.365 1.00 0.00 N ATOM 0 H HIS B 711 -13.470 15.932 -24.506 1.00 0.00 H new ATOM 0 HA HIS B 711 -12.227 18.429 -24.287 1.00 0.00 H new ATOM 0 HB2 HIS B 711 -13.047 18.905 -21.895 1.00 0.00 H new ATOM 0 HB3 HIS B 711 -13.921 19.540 -23.275 1.00 0.00 H new ATOM 0 HD2 HIS B 711 -14.386 15.985 -21.630 1.00 0.00 H new ATOM 0 HE1 HIS B 711 -18.104 18.050 -21.448 1.00 0.00 H new ATOM 0 HE2 HIS B 711 -16.917 15.834 -20.971 1.00 0.00 H new ATOM 1887 N ILE B 712 -10.977 16.113 -23.628 1.00 0.00 N ATOM 1888 CA ILE B 712 -10.158 15.046 -23.058 1.00 0.00 C ATOM 1889 C ILE B 712 -9.363 15.419 -21.809 1.00 0.00 C ATOM 1890 O ILE B 712 -9.294 14.609 -20.891 1.00 0.00 O ATOM 1891 CB ILE B 712 -9.318 14.402 -24.185 1.00 0.00 C ATOM 1892 CG1 ILE B 712 -10.162 13.271 -24.785 1.00 0.00 C ATOM 1893 CG2 ILE B 712 -7.964 13.834 -23.754 1.00 0.00 C ATOM 1894 CD1 ILE B 712 -9.450 12.510 -25.891 1.00 0.00 C ATOM 0 H ILE B 712 -10.802 16.275 -24.620 1.00 0.00 H new ATOM 0 HA ILE B 712 -10.836 14.295 -22.653 1.00 0.00 H new ATOM 0 HB ILE B 712 -9.079 15.195 -24.894 1.00 0.00 H new ATOM 0 HG12 ILE B 712 -10.438 12.574 -23.994 1.00 0.00 H new ATOM 0 HG13 ILE B 712 -11.088 13.689 -25.179 1.00 0.00 H new ATOM 0 HG21 ILE B 712 -7.457 13.407 -24.619 1.00 0.00 H new ATOM 0 HG22 ILE B 712 -7.352 14.632 -23.332 1.00 0.00 H new ATOM 0 HG23 ILE B 712 -8.117 13.059 -23.003 1.00 0.00 H new ATOM 0 HD11 ILE B 712 -10.103 11.724 -26.271 1.00 0.00 H new ATOM 0 HD12 ILE B 712 -9.198 13.195 -26.700 1.00 0.00 H new ATOM 0 HD13 ILE B 712 -8.537 12.064 -25.496 1.00 0.00 H new ATOM 1906 N GLY B 713 -8.786 16.610 -21.701 1.00 0.00 N ATOM 1907 CA GLY B 713 -8.101 17.009 -20.469 1.00 0.00 C ATOM 1908 C GLY B 713 -9.128 17.665 -19.548 1.00 0.00 C ATOM 1909 O GLY B 713 -9.024 18.855 -19.257 1.00 0.00 O ATOM 0 H GLY B 713 -8.776 17.312 -22.441 1.00 0.00 H new ATOM 0 HA2 GLY B 713 -7.654 16.141 -19.984 1.00 0.00 H new ATOM 0 HA3 GLY B 713 -7.291 17.703 -20.691 1.00 0.00 H new ATOM 1913 N HIS B 714 -10.185 16.920 -19.217 1.00 0.00 N ATOM 1914 CA HIS B 714 -11.373 17.419 -18.534 1.00 0.00 C ATOM 1915 C HIS B 714 -11.018 18.105 -17.206 1.00 0.00 C ATOM 1916 O HIS B 714 -10.135 17.638 -16.481 1.00 0.00 O ATOM 1917 CB HIS B 714 -12.345 16.250 -18.320 1.00 0.00 C ATOM 1918 CG HIS B 714 -13.663 16.670 -17.725 1.00 0.00 C ATOM 1919 ND1 HIS B 714 -14.132 16.302 -16.461 1.00 0.00 N ATOM 1920 CD2 HIS B 714 -14.575 17.488 -18.324 1.00 0.00 C ATOM 1921 CE1 HIS B 714 -15.318 16.925 -16.325 1.00 0.00 C ATOM 1922 NE2 HIS B 714 -15.613 17.630 -17.431 1.00 0.00 N ATOM 0 H HIS B 714 -10.236 15.923 -19.425 1.00 0.00 H new ATOM 0 HA HIS B 714 -11.850 18.179 -19.153 1.00 0.00 H new ATOM 0 HB2 HIS B 714 -12.526 15.758 -19.276 1.00 0.00 H new ATOM 0 HB3 HIS B 714 -11.878 15.514 -17.666 1.00 0.00 H new ATOM 0 HD2 HIS B 714 -14.498 17.935 -19.304 1.00 0.00 H new ATOM 0 HE1 HIS B 714 -15.946 16.866 -15.448 1.00 0.00 H new ATOM 0 HE2 HIS B 714 -16.461 18.177 -17.583 1.00 0.00 H new ATOM 1930 N LYS B 715 -11.698 19.212 -16.896 1.00 0.00 N ATOM 1931 CA LYS B 715 -11.589 19.985 -15.664 1.00 0.00 C ATOM 1932 C LYS B 715 -12.762 20.962 -15.614 1.00 0.00 C ATOM 1933 O LYS B 715 -13.072 21.467 -14.510 1.00 0.00 O ATOM 1934 CB LYS B 715 -10.239 20.720 -15.568 1.00 0.00 C ATOM 1935 CG LYS B 715 -9.943 21.715 -16.709 1.00 0.00 C ATOM 1936 CD LYS B 715 -8.460 22.123 -16.754 1.00 0.00 C ATOM 1937 CE LYS B 715 -7.603 20.958 -17.279 1.00 0.00 C ATOM 1938 NZ LYS B 715 -6.151 21.271 -17.324 1.00 0.00 N ATOM 1939 OXT LYS B 715 -13.378 21.226 -16.676 1.00 0.00 O ATOM 0 H LYS B 715 -12.380 19.614 -17.540 1.00 0.00 H new ATOM 0 HA LYS B 715 -11.628 19.313 -14.806 1.00 0.00 H new ATOM 0 HB2 LYS B 715 -10.205 21.259 -14.621 1.00 0.00 H new ATOM 0 HB3 LYS B 715 -9.442 19.977 -15.541 1.00 0.00 H new ATOM 0 HG2 LYS B 715 -10.224 21.266 -17.662 1.00 0.00 H new ATOM 0 HG3 LYS B 715 -10.559 22.605 -16.582 1.00 0.00 H new ATOM 0 HD2 LYS B 715 -8.335 22.994 -17.397 1.00 0.00 H new ATOM 0 HD3 LYS B 715 -8.124 22.411 -15.758 1.00 0.00 H new ATOM 0 HE2 LYS B 715 -7.760 20.086 -16.645 1.00 0.00 H new ATOM 0 HE3 LYS B 715 -7.941 20.689 -18.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 715 -5.657 20.546 -17.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 715 -6.010 22.203 -17.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 715 -5.768 21.283 -16.357 1.00 0.00 H new TER 1953 LYS B 715