USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 982 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 54 GLN : amide:sc= 0.103 X(o=0.1,f=-0.34) USER MOD Set 1.2: A 97 GLN : amide:sc= 0 K(o=0.1,f=-0.68) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= -1.98! USER MOD Set 2.2: A 79 HIS : no HD1:sc= 1.04 K(o=-0.94,f=-5.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 0.997 (180deg=0.649) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00412 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0538) USER MOD Single : A 8 THR OG1 : rot 60:sc= 0.524 USER MOD Single : A 11 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.34) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 18 THR OG1 : rot 62:sc= 1.21 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -2.2! (180deg=-3.68!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00314 USER MOD Single : A 40 HIS : no HE2:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.0746 (180deg=-0.375) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.0736 (180deg=-0.409) USER MOD Single : A 59 GLN : amide:sc= -3.26! K(o=-3.3!,f=-1.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -38:sc= 0.0535 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 77 TYR OH : rot -75:sc= -0.32 USER MOD Single : A 83 HIS : no HD1:sc=-0.00642 X(o=-0.0064,f=0) USER MOD Single : A 86 MET CE :methyl -128:sc= -0.32 (180deg=-1.07) USER MOD Single : A 87 SER OG : rot -61:sc= 1.22 USER MOD Single : A 88 GLN : amide:sc= 0.0249 K(o=0.025,f=-0.51) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.291 K(o=-0.29,f=-4.8!) USER MOD Single : A 100 THR OG1 : rot -51:sc= 0.133 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HE2:sc= 1.05 K(o=1,f=-4.5!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.034) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.066 20.183 -16.480 1.00 0.00 N ATOM 2 CA MET A 1 -0.427 21.290 -15.731 1.00 0.00 C ATOM 3 C MET A 1 -1.374 21.855 -14.674 1.00 0.00 C ATOM 4 O MET A 1 -0.934 22.439 -13.685 1.00 0.00 O ATOM 5 CB MET A 1 -0.014 22.409 -16.687 1.00 0.00 C ATOM 6 CG MET A 1 0.992 21.974 -17.739 1.00 0.00 C ATOM 7 SD MET A 1 2.507 21.300 -17.030 1.00 0.00 S ATOM 8 CE MET A 1 3.424 20.893 -18.519 1.00 0.00 C ATOM 0 H1 MET A 1 -0.335 19.527 -16.822 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.722 19.674 -15.854 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.590 20.570 -17.291 1.00 0.00 H new ATOM 0 HA MET A 1 0.457 20.889 -15.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.903 22.796 -17.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.410 23.230 -16.109 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.534 21.224 -18.383 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.241 22.827 -18.370 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.388 20.464 -18.247 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.859 20.171 -19.108 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.582 21.797 -19.107 1.00 0.00 H new ATOM 20 N ILE A 2 -2.674 21.681 -14.885 1.00 0.00 N ATOM 21 CA ILE A 2 -3.677 22.244 -13.988 1.00 0.00 C ATOM 22 C ILE A 2 -3.992 21.303 -12.825 1.00 0.00 C ATOM 23 O ILE A 2 -4.550 21.723 -11.810 1.00 0.00 O ATOM 24 CB ILE A 2 -4.989 22.562 -14.741 1.00 0.00 C ATOM 25 CG1 ILE A 2 -5.603 21.280 -15.316 1.00 0.00 C ATOM 26 CG2 ILE A 2 -4.735 23.579 -15.847 1.00 0.00 C ATOM 27 CD1 ILE A 2 -6.957 21.487 -15.960 1.00 0.00 C ATOM 0 H ILE A 2 -3.058 21.154 -15.670 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.251 23.166 -13.592 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.698 22.993 -14.034 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.920 20.861 -16.055 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.699 20.544 -14.517 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.669 23.792 -16.367 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.344 24.499 -15.413 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.010 23.175 -16.554 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.327 20.536 -16.343 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.656 21.877 -15.220 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.864 22.198 -16.781 1.00 0.00 H new ATOM 39 N GLU A 3 -3.620 20.041 -12.965 1.00 0.00 N ATOM 40 CA GLU A 3 -3.971 19.031 -11.980 1.00 0.00 C ATOM 41 C GLU A 3 -2.796 18.747 -11.043 1.00 0.00 C ATOM 42 O GLU A 3 -1.661 18.574 -11.487 1.00 0.00 O ATOM 43 CB GLU A 3 -4.440 17.734 -12.667 1.00 0.00 C ATOM 44 CG GLU A 3 -3.376 17.012 -13.494 1.00 0.00 C ATOM 45 CD GLU A 3 -2.973 17.763 -14.749 1.00 0.00 C ATOM 46 OE1 GLU A 3 -2.089 18.642 -14.665 1.00 0.00 O ATOM 47 OE2 GLU A 3 -3.534 17.482 -15.825 1.00 0.00 O ATOM 0 H GLU A 3 -3.074 19.691 -13.752 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.796 19.420 -11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.809 17.050 -11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.283 17.970 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.493 16.853 -12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.751 16.027 -13.774 1.00 0.00 H new ATOM 54 N PRO A 4 -3.055 18.733 -9.727 1.00 0.00 N ATOM 55 CA PRO A 4 -2.044 18.383 -8.729 1.00 0.00 C ATOM 56 C PRO A 4 -1.549 16.951 -8.907 1.00 0.00 C ATOM 57 O PRO A 4 -2.264 15.989 -8.617 1.00 0.00 O ATOM 58 CB PRO A 4 -2.776 18.539 -7.391 1.00 0.00 C ATOM 59 CG PRO A 4 -3.949 19.406 -7.694 1.00 0.00 C ATOM 60 CD PRO A 4 -4.342 19.083 -9.106 1.00 0.00 C ATOM 0 HA PRO A 4 -1.157 19.011 -8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.090 17.572 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.132 18.995 -6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.770 19.208 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.693 20.460 -7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.051 18.256 -9.150 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.812 19.933 -9.600 1.00 0.00 H new ATOM 68 N SER A 5 -0.329 16.816 -9.398 1.00 0.00 N ATOM 69 CA SER A 5 0.236 15.512 -9.696 1.00 0.00 C ATOM 70 C SER A 5 1.144 15.028 -8.565 1.00 0.00 C ATOM 71 O SER A 5 1.569 13.871 -8.547 1.00 0.00 O ATOM 72 CB SER A 5 1.004 15.572 -11.019 1.00 0.00 C ATOM 73 OG SER A 5 1.917 16.663 -11.042 1.00 0.00 O ATOM 0 H SER A 5 0.292 17.599 -9.600 1.00 0.00 H new ATOM 0 HA SER A 5 -0.580 14.795 -9.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.547 14.639 -11.169 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.300 15.668 -11.846 1.00 0.00 H new ATOM 0 HG SER A 5 2.393 16.673 -11.899 1.00 0.00 H new ATOM 79 N LYS A 6 1.416 15.915 -7.610 1.00 0.00 N ATOM 80 CA LYS A 6 2.292 15.596 -6.486 1.00 0.00 C ATOM 81 C LYS A 6 1.597 14.647 -5.509 1.00 0.00 C ATOM 82 O LYS A 6 2.228 14.089 -4.612 1.00 0.00 O ATOM 83 CB LYS A 6 2.715 16.888 -5.772 1.00 0.00 C ATOM 84 CG LYS A 6 3.786 16.699 -4.700 1.00 0.00 C ATOM 85 CD LYS A 6 5.065 16.107 -5.280 1.00 0.00 C ATOM 86 CE LYS A 6 6.191 16.061 -4.254 1.00 0.00 C ATOM 87 NZ LYS A 6 5.829 15.268 -3.049 1.00 0.00 N ATOM 0 H LYS A 6 1.041 16.863 -7.593 1.00 0.00 H new ATOM 0 HA LYS A 6 3.181 15.095 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.084 17.595 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.835 17.339 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.008 17.659 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.405 16.045 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.865 15.099 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.381 16.699 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.081 15.631 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.447 17.077 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.654 15.196 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.050 15.738 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.529 14.315 -3.338 1.00 0.00 H new ATOM 101 N ILE A 7 0.295 14.457 -5.700 1.00 0.00 N ATOM 102 CA ILE A 7 -0.482 13.567 -4.848 1.00 0.00 C ATOM 103 C ILE A 7 0.000 12.125 -4.993 1.00 0.00 C ATOM 104 O ILE A 7 -0.319 11.435 -5.967 1.00 0.00 O ATOM 105 CB ILE A 7 -1.993 13.644 -5.162 1.00 0.00 C ATOM 106 CG1 ILE A 7 -2.484 15.089 -5.039 1.00 0.00 C ATOM 107 CG2 ILE A 7 -2.779 12.730 -4.228 1.00 0.00 C ATOM 108 CD1 ILE A 7 -3.945 15.270 -5.392 1.00 0.00 C ATOM 0 H ILE A 7 -0.244 14.909 -6.439 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.332 13.897 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.155 13.307 -6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.321 15.432 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.882 15.724 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.841 12.796 -4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.442 11.701 -4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.616 13.038 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.219 16.319 -5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.111 14.959 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.558 14.663 -4.726 1.00 0.00 H new ATOM 120 N THR A 8 0.794 11.694 -4.028 1.00 0.00 N ATOM 121 CA THR A 8 1.358 10.360 -4.023 1.00 0.00 C ATOM 122 C THR A 8 0.759 9.559 -2.860 1.00 0.00 C ATOM 123 O THR A 8 -0.059 10.088 -2.104 1.00 0.00 O ATOM 124 CB THR A 8 2.896 10.446 -3.898 1.00 0.00 C ATOM 125 OG1 THR A 8 3.385 11.498 -4.741 1.00 0.00 O ATOM 126 CG2 THR A 8 3.571 9.141 -4.299 1.00 0.00 C ATOM 0 H THR A 8 1.065 12.262 -3.225 1.00 0.00 H new ATOM 0 HA THR A 8 1.117 9.852 -4.957 1.00 0.00 H new ATOM 0 HB THR A 8 3.133 10.647 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.991 12.351 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.651 9.244 -4.197 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.220 8.336 -3.653 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.325 8.908 -5.335 1.00 0.00 H new ATOM 134 N VAL A 9 1.146 8.294 -2.730 1.00 0.00 N ATOM 135 CA VAL A 9 0.634 7.433 -1.668 1.00 0.00 C ATOM 136 C VAL A 9 0.881 8.041 -0.287 1.00 0.00 C ATOM 137 O VAL A 9 -0.053 8.227 0.493 1.00 0.00 O ATOM 138 CB VAL A 9 1.277 6.030 -1.729 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.688 5.114 -0.665 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.098 5.426 -3.110 1.00 0.00 C ATOM 0 H VAL A 9 1.816 7.840 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.441 7.342 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 9 2.344 6.136 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.158 4.132 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.870 5.539 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.386 5.014 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.556 4.437 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.035 5.339 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.574 6.067 -3.852 1.00 0.00 H new ATOM 150 N GLU A 10 2.134 8.382 -0.004 1.00 0.00 N ATOM 151 CA GLU A 10 2.505 8.916 1.303 1.00 0.00 C ATOM 152 C GLU A 10 1.890 10.295 1.541 1.00 0.00 C ATOM 153 O GLU A 10 1.703 10.708 2.683 1.00 0.00 O ATOM 154 CB GLU A 10 4.032 8.946 1.457 1.00 0.00 C ATOM 155 CG GLU A 10 4.798 9.269 0.178 1.00 0.00 C ATOM 156 CD GLU A 10 4.685 10.718 -0.247 1.00 0.00 C ATOM 157 OE1 GLU A 10 5.460 11.550 0.266 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.836 11.026 -1.107 1.00 0.00 O ATOM 0 H GLU A 10 2.910 8.298 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 10 2.101 8.252 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.292 9.684 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.365 7.977 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.850 9.022 0.322 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.429 8.633 -0.627 1.00 0.00 H new ATOM 165 N GLN A 11 1.559 10.983 0.457 1.00 0.00 N ATOM 166 CA GLN A 11 0.892 12.275 0.531 1.00 0.00 C ATOM 167 C GLN A 11 -0.482 12.102 1.174 1.00 0.00 C ATOM 168 O GLN A 11 -0.806 12.754 2.170 1.00 0.00 O ATOM 169 CB GLN A 11 0.759 12.860 -0.883 1.00 0.00 C ATOM 170 CG GLN A 11 0.658 14.380 -0.962 1.00 0.00 C ATOM 171 CD GLN A 11 -0.591 14.946 -0.316 1.00 0.00 C ATOM 172 OE1 GLN A 11 -1.647 15.033 -0.946 1.00 0.00 O ATOM 173 NE2 GLN A 11 -0.477 15.363 0.934 1.00 0.00 N ATOM 0 H GLN A 11 1.744 10.663 -0.494 1.00 0.00 H new ATOM 0 HA GLN A 11 1.478 12.962 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.619 12.540 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.126 12.430 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.534 14.818 -0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.683 14.682 -2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.414 15.274 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.280 15.774 1.410 1.00 0.00 H new ATOM 182 N TRP A 12 -1.277 11.191 0.622 1.00 0.00 N ATOM 183 CA TRP A 12 -2.628 10.971 1.118 1.00 0.00 C ATOM 184 C TRP A 12 -2.606 10.279 2.478 1.00 0.00 C ATOM 185 O TRP A 12 -3.420 10.586 3.344 1.00 0.00 O ATOM 186 CB TRP A 12 -3.457 10.151 0.124 1.00 0.00 C ATOM 187 CG TRP A 12 -4.901 10.045 0.520 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.853 11.018 0.407 1.00 0.00 C ATOM 189 CD2 TRP A 12 -5.553 8.908 1.104 1.00 0.00 C ATOM 190 NE1 TRP A 12 -7.057 10.556 0.883 1.00 0.00 N ATOM 191 CE2 TRP A 12 -6.899 9.263 1.314 1.00 0.00 C ATOM 192 CE3 TRP A 12 -5.127 7.625 1.468 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.824 8.376 1.871 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -6.045 6.749 2.017 1.00 0.00 C ATOM 195 CH2 TRP A 12 -7.379 7.128 2.216 1.00 0.00 C ATOM 0 H TRP A 12 -1.010 10.598 -0.164 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.096 11.949 1.233 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.388 10.608 -0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.033 9.150 0.043 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.685 12.005 0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.927 11.088 0.911 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.100 7.325 1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.853 8.665 2.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.728 5.755 2.297 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -8.070 6.421 2.650 1.00 0.00 H new ATOM 206 N LEU A 13 -1.665 9.360 2.670 1.00 0.00 N ATOM 207 CA LEU A 13 -1.539 8.656 3.943 1.00 0.00 C ATOM 208 C LEU A 13 -1.195 9.625 5.071 1.00 0.00 C ATOM 209 O LEU A 13 -1.601 9.428 6.215 1.00 0.00 O ATOM 210 CB LEU A 13 -0.489 7.542 3.853 1.00 0.00 C ATOM 211 CG LEU A 13 -1.038 6.147 3.527 1.00 0.00 C ATOM 212 CD1 LEU A 13 -2.005 5.691 4.609 1.00 0.00 C ATOM 213 CD2 LEU A 13 -1.720 6.131 2.168 1.00 0.00 C ATOM 0 H LEU A 13 -0.981 9.086 1.965 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.503 8.199 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.241 7.814 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.045 7.491 4.802 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.197 5.454 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.385 4.700 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.487 5.653 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.836 6.393 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.099 5.130 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.548 6.840 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.002 6.412 1.397 1.00 0.00 H new ATOM 225 N ASN A 14 -0.456 10.679 4.745 1.00 0.00 N ATOM 226 CA ASN A 14 -0.143 11.721 5.718 1.00 0.00 C ATOM 227 C ASN A 14 -1.411 12.482 6.093 1.00 0.00 C ATOM 228 O ASN A 14 -1.647 12.783 7.266 1.00 0.00 O ATOM 229 CB ASN A 14 0.917 12.675 5.158 1.00 0.00 C ATOM 230 CG ASN A 14 1.306 13.775 6.130 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.241 13.606 7.347 1.00 0.00 O ATOM 232 ND2 ASN A 14 1.733 14.907 5.595 1.00 0.00 N ATOM 0 H ASN A 14 -0.063 10.835 3.817 1.00 0.00 H new ATOM 0 HA ASN A 14 0.261 11.255 6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.806 12.104 4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.541 13.127 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.023 15.678 6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.772 15.009 4.581 1.00 0.00 H new ATOM 239 N ARG A 15 -2.240 12.767 5.095 1.00 0.00 N ATOM 240 CA ARG A 15 -3.530 13.404 5.334 1.00 0.00 C ATOM 241 C ARG A 15 -4.423 12.478 6.150 1.00 0.00 C ATOM 242 O ARG A 15 -5.063 12.907 7.114 1.00 0.00 O ATOM 243 CB ARG A 15 -4.221 13.759 4.015 1.00 0.00 C ATOM 244 CG ARG A 15 -3.462 14.774 3.182 1.00 0.00 C ATOM 245 CD ARG A 15 -4.281 15.236 1.985 1.00 0.00 C ATOM 246 NE ARG A 15 -5.550 15.843 2.390 1.00 0.00 N ATOM 247 CZ ARG A 15 -5.684 17.119 2.762 1.00 0.00 C ATOM 248 NH1 ARG A 15 -4.637 17.934 2.748 1.00 0.00 N ATOM 249 NH2 ARG A 15 -6.872 17.584 3.127 1.00 0.00 N ATOM 0 H ARG A 15 -2.042 12.568 4.114 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.356 14.326 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.355 12.850 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.216 14.150 4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.203 15.633 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.526 14.336 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.703 15.957 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.478 14.387 1.331 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.384 15.255 2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.725 17.587 2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.745 18.907 3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.684 16.967 3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.973 18.558 3.411 1.00 0.00 H new ATOM 263 N TRP A 16 -4.446 11.209 5.751 1.00 0.00 N ATOM 264 CA TRP A 16 -5.176 10.163 6.461 1.00 0.00 C ATOM 265 C TRP A 16 -4.830 10.194 7.941 1.00 0.00 C ATOM 266 O TRP A 16 -5.689 10.399 8.794 1.00 0.00 O ATOM 267 CB TRP A 16 -4.795 8.794 5.884 1.00 0.00 C ATOM 268 CG TRP A 16 -5.621 7.652 6.401 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.797 7.194 5.884 1.00 0.00 C ATOM 270 CD2 TRP A 16 -5.325 6.811 7.527 1.00 0.00 C ATOM 271 NE1 TRP A 16 -7.255 6.128 6.621 1.00 0.00 N ATOM 272 CE2 TRP A 16 -6.372 5.876 7.634 1.00 0.00 C ATOM 273 CE3 TRP A 16 -4.282 6.764 8.456 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -6.401 4.903 8.629 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -4.313 5.796 9.444 1.00 0.00 C ATOM 276 CH2 TRP A 16 -5.367 4.880 9.524 1.00 0.00 C ATOM 0 H TRP A 16 -3.956 10.876 4.921 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.246 10.334 6.339 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.888 8.832 4.799 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.746 8.598 6.107 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.296 7.609 5.021 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.114 5.609 6.441 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.467 7.470 8.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -7.211 4.192 8.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.510 5.747 10.165 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -5.364 4.139 10.309 1.00 0.00 H new ATOM 287 N LEU A 17 -3.552 10.014 8.217 1.00 0.00 N ATOM 288 CA LEU A 17 -3.039 9.953 9.576 1.00 0.00 C ATOM 289 C LEU A 17 -3.415 11.202 10.374 1.00 0.00 C ATOM 290 O LEU A 17 -3.802 11.114 11.536 1.00 0.00 O ATOM 291 CB LEU A 17 -1.522 9.792 9.510 1.00 0.00 C ATOM 292 CG LEU A 17 -0.800 9.619 10.842 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.353 8.427 11.611 1.00 0.00 C ATOM 294 CD2 LEU A 17 0.685 9.451 10.583 1.00 0.00 C ATOM 0 H LEU A 17 -2.834 9.905 7.501 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.485 9.102 10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.297 8.928 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.107 10.666 9.008 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.962 10.506 11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.821 8.326 12.557 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.414 8.581 11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.220 7.520 11.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.208 9.327 11.531 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.849 8.571 9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.067 10.334 10.071 1.00 0.00 H new ATOM 306 N THR A 18 -3.329 12.357 9.734 1.00 0.00 N ATOM 307 CA THR A 18 -3.599 13.624 10.399 1.00 0.00 C ATOM 308 C THR A 18 -5.072 13.758 10.806 1.00 0.00 C ATOM 309 O THR A 18 -5.377 14.124 11.942 1.00 0.00 O ATOM 310 CB THR A 18 -3.203 14.805 9.490 1.00 0.00 C ATOM 311 OG1 THR A 18 -1.823 14.680 9.110 1.00 0.00 O ATOM 312 CG2 THR A 18 -3.413 16.137 10.193 1.00 0.00 C ATOM 0 H THR A 18 -3.073 12.444 8.750 1.00 0.00 H new ATOM 0 HA THR A 18 -2.997 13.644 11.307 1.00 0.00 H new ATOM 0 HB THR A 18 -3.839 14.779 8.605 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.699 13.857 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.125 16.950 9.526 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.464 16.244 10.463 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.801 16.173 11.094 1.00 0.00 H new ATOM 320 N ASP A 19 -5.982 13.441 9.889 1.00 0.00 N ATOM 321 CA ASP A 19 -7.408 13.660 10.128 1.00 0.00 C ATOM 322 C ASP A 19 -8.063 12.469 10.816 1.00 0.00 C ATOM 323 O ASP A 19 -8.906 12.642 11.697 1.00 0.00 O ATOM 324 CB ASP A 19 -8.142 13.958 8.819 1.00 0.00 C ATOM 325 CG ASP A 19 -7.751 15.296 8.227 1.00 0.00 C ATOM 326 OD1 ASP A 19 -8.330 16.327 8.637 1.00 0.00 O ATOM 327 OD2 ASP A 19 -6.871 15.329 7.345 1.00 0.00 O ATOM 0 H ASP A 19 -5.761 13.035 8.980 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.485 14.521 10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.928 13.169 8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.217 13.943 8.998 1.00 0.00 H new ATOM 332 N TYR A 20 -7.674 11.266 10.422 1.00 0.00 N ATOM 333 CA TYR A 20 -8.322 10.049 10.910 1.00 0.00 C ATOM 334 C TYR A 20 -7.868 9.678 12.318 1.00 0.00 C ATOM 335 O TYR A 20 -8.528 8.890 12.993 1.00 0.00 O ATOM 336 CB TYR A 20 -8.069 8.879 9.952 1.00 0.00 C ATOM 337 CG TYR A 20 -8.867 8.951 8.665 1.00 0.00 C ATOM 338 CD1 TYR A 20 -8.589 9.907 7.696 1.00 0.00 C ATOM 339 CD2 TYR A 20 -9.892 8.047 8.416 1.00 0.00 C ATOM 340 CE1 TYR A 20 -9.309 9.960 6.518 1.00 0.00 C ATOM 341 CE2 TYR A 20 -10.617 8.095 7.242 1.00 0.00 C ATOM 342 CZ TYR A 20 -10.321 9.052 6.298 1.00 0.00 C ATOM 343 OH TYR A 20 -11.039 9.100 5.127 1.00 0.00 O ATOM 0 H TYR A 20 -6.912 11.102 9.764 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.392 10.255 10.952 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.007 8.846 9.708 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.307 7.946 10.463 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.797 10.621 7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.126 7.294 9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.080 10.709 5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.412 7.386 7.065 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.715 8.390 5.128 1.00 0.00 H new ATOM 353 N ALA A 21 -6.745 10.229 12.759 1.00 0.00 N ATOM 354 CA ALA A 21 -6.274 9.977 14.116 1.00 0.00 C ATOM 355 C ALA A 21 -7.106 10.759 15.123 1.00 0.00 C ATOM 356 O ALA A 21 -7.550 10.207 16.131 1.00 0.00 O ATOM 357 CB ALA A 21 -4.804 10.338 14.257 1.00 0.00 C ATOM 0 H ALA A 21 -6.149 10.845 12.206 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.386 8.912 14.319 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.477 10.141 15.278 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.214 9.737 13.565 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.665 11.395 14.029 1.00 0.00 H new ATOM 363 N LYS A 22 -7.324 12.044 14.826 1.00 0.00 N ATOM 364 CA LYS A 22 -8.062 12.942 15.711 1.00 0.00 C ATOM 365 C LYS A 22 -7.403 12.980 17.093 1.00 0.00 C ATOM 366 O LYS A 22 -7.746 12.209 17.988 1.00 0.00 O ATOM 367 CB LYS A 22 -9.543 12.523 15.782 1.00 0.00 C ATOM 368 CG LYS A 22 -10.447 13.504 16.521 1.00 0.00 C ATOM 369 CD LYS A 22 -10.582 13.177 18.005 1.00 0.00 C ATOM 370 CE LYS A 22 -11.506 11.988 18.261 1.00 0.00 C ATOM 371 NZ LYS A 22 -10.920 10.690 17.828 1.00 0.00 N ATOM 0 H LYS A 22 -6.994 12.487 13.968 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.032 13.954 15.308 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.920 12.396 14.767 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.609 11.551 16.270 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.049 14.513 16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.435 13.499 16.061 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.596 12.962 18.417 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.965 14.051 18.533 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.738 11.938 19.325 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.448 12.148 17.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.408 9.910 18.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.034 10.584 16.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.908 10.668 18.068 1.00 0.00 H new ATOM 385 N PRO A 23 -6.419 13.870 17.267 1.00 0.00 N ATOM 386 CA PRO A 23 -5.644 13.955 18.503 1.00 0.00 C ATOM 387 C PRO A 23 -6.477 14.402 19.702 1.00 0.00 C ATOM 388 O PRO A 23 -6.829 15.577 19.832 1.00 0.00 O ATOM 389 CB PRO A 23 -4.558 14.985 18.191 1.00 0.00 C ATOM 390 CG PRO A 23 -5.088 15.780 17.047 1.00 0.00 C ATOM 391 CD PRO A 23 -5.980 14.858 16.266 1.00 0.00 C ATOM 0 HA PRO A 23 -5.251 12.979 18.787 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.359 15.621 19.054 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.618 14.499 17.930 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.643 16.649 17.402 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.275 16.154 16.424 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.826 15.391 15.831 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.445 14.384 15.443 1.00 0.00 H new ATOM 399 N HIS A 24 -6.797 13.447 20.563 1.00 0.00 N ATOM 400 CA HIS A 24 -7.493 13.719 21.814 1.00 0.00 C ATOM 401 C HIS A 24 -7.450 12.476 22.690 1.00 0.00 C ATOM 402 O HIS A 24 -7.227 12.558 23.894 1.00 0.00 O ATOM 403 CB HIS A 24 -8.948 14.140 21.569 1.00 0.00 C ATOM 404 CG HIS A 24 -9.650 14.613 22.808 1.00 0.00 C ATOM 405 ND1 HIS A 24 -10.853 14.098 23.243 1.00 0.00 N ATOM 406 CD2 HIS A 24 -9.310 15.571 23.700 1.00 0.00 C ATOM 407 CE1 HIS A 24 -11.220 14.721 24.347 1.00 0.00 C ATOM 408 NE2 HIS A 24 -10.301 15.619 24.647 1.00 0.00 N ATOM 0 H HIS A 24 -6.582 12.461 20.415 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.991 14.546 22.316 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.967 14.935 20.824 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.496 13.297 21.150 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.422 16.185 23.672 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.121 14.528 24.910 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.324 16.246 25.451 1.00 0.00 H new ATOM 417 N LEU A 25 -7.670 11.325 22.067 1.00 0.00 N ATOM 418 CA LEU A 25 -7.556 10.047 22.753 1.00 0.00 C ATOM 419 C LEU A 25 -6.236 9.383 22.386 1.00 0.00 C ATOM 420 O LEU A 25 -6.077 8.872 21.277 1.00 0.00 O ATOM 421 CB LEU A 25 -8.728 9.131 22.383 1.00 0.00 C ATOM 422 CG LEU A 25 -10.108 9.633 22.813 1.00 0.00 C ATOM 423 CD1 LEU A 25 -11.190 8.676 22.338 1.00 0.00 C ATOM 424 CD2 LEU A 25 -10.167 9.805 24.325 1.00 0.00 C ATOM 0 H LEU A 25 -7.929 11.252 21.083 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.583 10.222 23.828 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.731 8.990 21.302 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.559 8.152 22.832 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.283 10.606 22.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.166 9.046 22.651 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.161 8.605 21.251 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.020 7.690 22.771 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.156 10.163 24.612 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.973 8.847 24.808 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.414 10.528 24.639 1.00 0.00 H new ATOM 436 N ARG A 26 -5.282 9.424 23.301 1.00 0.00 N ATOM 437 CA ARG A 26 -3.960 8.874 23.048 1.00 0.00 C ATOM 438 C ARG A 26 -3.844 7.468 23.618 1.00 0.00 C ATOM 439 O ARG A 26 -3.864 7.275 24.836 1.00 0.00 O ATOM 440 CB ARG A 26 -2.873 9.776 23.640 1.00 0.00 C ATOM 441 CG ARG A 26 -2.849 11.172 23.037 1.00 0.00 C ATOM 442 CD ARG A 26 -1.734 12.019 23.623 1.00 0.00 C ATOM 443 NE ARG A 26 -0.409 11.499 23.291 1.00 0.00 N ATOM 444 CZ ARG A 26 0.731 12.095 23.639 1.00 0.00 C ATOM 445 NH1 ARG A 26 0.705 13.220 24.346 1.00 0.00 N ATOM 446 NH2 ARG A 26 1.894 11.562 23.290 1.00 0.00 N ATOM 0 H ARG A 26 -5.398 9.833 24.228 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.818 8.824 21.968 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.025 9.856 24.716 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.901 9.307 23.489 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.721 11.099 21.957 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.807 11.661 23.213 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.824 13.040 23.253 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.844 12.061 24.707 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.354 10.629 22.762 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.188 13.628 24.623 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.578 13.675 24.612 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.917 10.694 22.754 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.765 12.020 23.557 1.00 0.00 H new ATOM 460 N GLN A 27 -3.731 6.490 22.732 1.00 0.00 N ATOM 461 CA GLN A 27 -3.621 5.096 23.134 1.00 0.00 C ATOM 462 C GLN A 27 -3.034 4.256 22.007 1.00 0.00 C ATOM 463 O GLN A 27 -3.518 4.294 20.875 1.00 0.00 O ATOM 464 CB GLN A 27 -4.996 4.545 23.525 1.00 0.00 C ATOM 465 CG GLN A 27 -4.964 3.088 23.951 1.00 0.00 C ATOM 466 CD GLN A 27 -6.335 2.544 24.285 1.00 0.00 C ATOM 467 OE1 GLN A 27 -7.034 2.014 23.424 1.00 0.00 O ATOM 468 NE2 GLN A 27 -6.730 2.671 25.538 1.00 0.00 N ATOM 0 H GLN A 27 -3.713 6.638 21.723 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.955 5.043 23.996 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.401 5.145 24.340 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.676 4.654 22.680 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.526 2.490 23.152 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.315 2.983 24.820 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.119 3.117 26.222 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.646 2.323 25.822 1.00 0.00 H new ATOM 477 N SER A 28 -1.993 3.501 22.318 1.00 0.00 N ATOM 478 CA SER A 28 -1.388 2.600 21.354 1.00 0.00 C ATOM 479 C SER A 28 -2.148 1.275 21.353 1.00 0.00 C ATOM 480 O SER A 28 -2.234 0.604 22.380 1.00 0.00 O ATOM 481 CB SER A 28 0.083 2.379 21.706 1.00 0.00 C ATOM 482 OG SER A 28 0.769 3.617 21.842 1.00 0.00 O ATOM 0 H SER A 28 -1.548 3.495 23.236 1.00 0.00 H new ATOM 0 HA SER A 28 -1.442 3.037 20.357 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.157 1.815 22.636 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.559 1.779 20.931 1.00 0.00 H new ATOM 0 HG SER A 28 1.707 3.448 22.069 1.00 0.00 H new ATOM 488 N THR A 29 -2.702 0.906 20.205 1.00 0.00 N ATOM 489 CA THR A 29 -3.583 -0.251 20.119 1.00 0.00 C ATOM 490 C THR A 29 -2.835 -1.488 19.605 1.00 0.00 C ATOM 491 O THR A 29 -3.450 -2.514 19.309 1.00 0.00 O ATOM 492 CB THR A 29 -4.784 0.064 19.197 1.00 0.00 C ATOM 493 OG1 THR A 29 -5.273 1.383 19.484 1.00 0.00 O ATOM 494 CG2 THR A 29 -5.917 -0.937 19.393 1.00 0.00 C ATOM 0 H THR A 29 -2.556 1.392 19.320 1.00 0.00 H new ATOM 0 HA THR A 29 -3.946 -0.472 21.123 1.00 0.00 H new ATOM 0 HB THR A 29 -4.441 -0.001 18.164 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.033 1.585 18.899 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.744 -0.685 18.729 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.560 -1.941 19.163 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.258 -0.902 20.428 1.00 0.00 H new ATOM 502 N TRP A 30 -1.502 -1.394 19.529 1.00 0.00 N ATOM 503 CA TRP A 30 -0.676 -2.495 19.027 1.00 0.00 C ATOM 504 C TRP A 30 -1.080 -2.813 17.593 1.00 0.00 C ATOM 505 O TRP A 30 -1.120 -3.970 17.175 1.00 0.00 O ATOM 506 CB TRP A 30 -0.823 -3.740 19.914 1.00 0.00 C ATOM 507 CG TRP A 30 -0.409 -3.516 21.340 1.00 0.00 C ATOM 508 CD1 TRP A 30 0.863 -3.524 21.832 1.00 0.00 C ATOM 509 CD2 TRP A 30 -1.269 -3.258 22.458 1.00 0.00 C ATOM 510 NE1 TRP A 30 0.848 -3.281 23.184 1.00 0.00 N ATOM 511 CE2 TRP A 30 -0.449 -3.119 23.592 1.00 0.00 C ATOM 512 CE3 TRP A 30 -2.653 -3.132 22.608 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -0.966 -2.857 24.859 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -3.164 -2.872 23.865 1.00 0.00 C ATOM 515 CH2 TRP A 30 -2.323 -2.740 24.976 1.00 0.00 C ATOM 0 H TRP A 30 -0.974 -0.567 19.809 1.00 0.00 H new ATOM 0 HA TRP A 30 0.371 -2.192 19.051 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -1.862 -4.069 19.894 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.224 -4.548 19.493 1.00 0.00 H new ATOM 0 HD1 TRP A 30 1.753 -3.696 21.244 1.00 0.00 H new ATOM 0 HE1 TRP A 30 1.670 -3.230 23.786 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -3.310 -3.236 21.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.319 -2.750 25.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -4.231 -2.769 23.993 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.755 -2.542 25.946 1.00 0.00 H new ATOM 526 N GLU A 31 -1.351 -1.756 16.849 1.00 0.00 N ATOM 527 CA GLU A 31 -1.906 -1.856 15.514 1.00 0.00 C ATOM 528 C GLU A 31 -0.843 -2.255 14.490 1.00 0.00 C ATOM 529 O GLU A 31 0.051 -1.474 14.157 1.00 0.00 O ATOM 530 CB GLU A 31 -2.589 -0.530 15.119 1.00 0.00 C ATOM 531 CG GLU A 31 -1.750 0.731 15.346 1.00 0.00 C ATOM 532 CD GLU A 31 -1.565 1.091 16.813 1.00 0.00 C ATOM 533 OE1 GLU A 31 -2.502 1.653 17.418 1.00 0.00 O ATOM 534 OE2 GLU A 31 -0.482 0.801 17.369 1.00 0.00 O ATOM 0 H GLU A 31 -1.190 -0.797 17.158 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.658 -2.645 15.519 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.861 -0.581 14.065 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.517 -0.436 15.684 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.770 0.591 14.890 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.224 1.568 14.833 1.00 0.00 H new ATOM 541 N SER A 32 -0.953 -3.483 13.992 1.00 0.00 N ATOM 542 CA SER A 32 -0.018 -4.001 13.003 1.00 0.00 C ATOM 543 C SER A 32 -0.129 -3.225 11.696 1.00 0.00 C ATOM 544 O SER A 32 0.867 -3.017 11.004 1.00 0.00 O ATOM 545 CB SER A 32 -0.286 -5.483 12.742 1.00 0.00 C ATOM 546 OG SER A 32 -0.202 -6.239 13.938 1.00 0.00 O ATOM 0 H SER A 32 -1.686 -4.140 14.260 1.00 0.00 H new ATOM 0 HA SER A 32 0.991 -3.882 13.399 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.276 -5.604 12.301 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.434 -5.863 12.017 1.00 0.00 H new ATOM 0 HG SER A 32 -0.379 -7.183 13.742 1.00 0.00 H new ATOM 552 N TYR A 33 -1.350 -2.792 11.379 1.00 0.00 N ATOM 553 CA TYR A 33 -1.622 -2.034 10.157 1.00 0.00 C ATOM 554 C TYR A 33 -0.686 -0.835 10.036 1.00 0.00 C ATOM 555 O TYR A 33 -0.204 -0.520 8.952 1.00 0.00 O ATOM 556 CB TYR A 33 -3.078 -1.550 10.140 1.00 0.00 C ATOM 557 CG TYR A 33 -4.107 -2.647 9.960 1.00 0.00 C ATOM 558 CD1 TYR A 33 -4.382 -3.550 10.981 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.813 -2.770 8.768 1.00 0.00 C ATOM 560 CE1 TYR A 33 -5.332 -4.542 10.819 1.00 0.00 C ATOM 561 CE2 TYR A 33 -5.762 -3.759 8.600 1.00 0.00 C ATOM 562 CZ TYR A 33 -6.017 -4.642 9.627 1.00 0.00 C ATOM 563 OH TYR A 33 -6.971 -5.624 9.467 1.00 0.00 O ATOM 0 H TYR A 33 -2.174 -2.955 11.958 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.452 -2.698 9.309 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.284 -1.027 11.074 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.196 -0.824 9.336 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.845 -3.476 11.915 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.616 -2.081 7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.536 -5.235 11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.302 -3.840 7.668 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.362 -5.558 8.571 1.00 0.00 H new ATOM 573 N GLU A 34 -0.418 -0.198 11.164 1.00 0.00 N ATOM 574 CA GLU A 34 0.419 0.992 11.206 1.00 0.00 C ATOM 575 C GLU A 34 1.867 0.640 10.857 1.00 0.00 C ATOM 576 O GLU A 34 2.475 1.250 9.973 1.00 0.00 O ATOM 577 CB GLU A 34 0.311 1.616 12.603 1.00 0.00 C ATOM 578 CG GLU A 34 0.888 3.017 12.735 1.00 0.00 C ATOM 579 CD GLU A 34 2.327 3.030 13.201 1.00 0.00 C ATOM 580 OE1 GLU A 34 2.567 2.900 14.423 1.00 0.00 O ATOM 581 OE2 GLU A 34 3.225 3.197 12.357 1.00 0.00 O ATOM 0 H GLU A 34 -0.773 -0.489 12.075 1.00 0.00 H new ATOM 0 HA GLU A 34 0.079 1.717 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.740 1.645 12.890 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.817 0.964 13.314 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.821 3.522 11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.281 3.588 13.437 1.00 0.00 H new ATOM 588 N THR A 35 2.391 -0.369 11.532 1.00 0.00 N ATOM 589 CA THR A 35 3.776 -0.785 11.368 1.00 0.00 C ATOM 590 C THR A 35 4.042 -1.401 9.989 1.00 0.00 C ATOM 591 O THR A 35 4.961 -0.982 9.281 1.00 0.00 O ATOM 592 CB THR A 35 4.151 -1.802 12.461 1.00 0.00 C ATOM 593 OG1 THR A 35 3.625 -1.363 13.722 1.00 0.00 O ATOM 594 CG2 THR A 35 5.660 -1.960 12.563 1.00 0.00 C ATOM 0 H THR A 35 1.869 -0.924 12.210 1.00 0.00 H new ATOM 0 HA THR A 35 4.392 0.110 11.456 1.00 0.00 H new ATOM 0 HB THR A 35 3.723 -2.769 12.197 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.862 -2.011 14.418 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.898 -2.684 13.342 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.054 -2.311 11.609 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.111 -0.999 12.811 1.00 0.00 H new ATOM 602 N VAL A 36 3.235 -2.385 9.597 1.00 0.00 N ATOM 603 CA VAL A 36 3.499 -3.130 8.368 1.00 0.00 C ATOM 604 C VAL A 36 3.336 -2.256 7.128 1.00 0.00 C ATOM 605 O VAL A 36 4.060 -2.432 6.141 1.00 0.00 O ATOM 606 CB VAL A 36 2.610 -4.388 8.225 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.866 -5.360 9.364 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.133 -4.021 8.150 1.00 0.00 C ATOM 0 H VAL A 36 2.402 -2.682 10.106 1.00 0.00 H new ATOM 0 HA VAL A 36 4.537 -3.454 8.445 1.00 0.00 H new ATOM 0 HB VAL A 36 2.877 -4.877 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.230 -6.237 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.912 -5.666 9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.639 -4.875 10.314 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.537 -4.928 8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.842 -3.494 9.059 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.961 -3.377 7.287 1.00 0.00 H new ATOM 618 N LEU A 37 2.406 -1.313 7.182 1.00 0.00 N ATOM 619 CA LEU A 37 2.137 -0.445 6.046 1.00 0.00 C ATOM 620 C LEU A 37 3.347 0.432 5.755 1.00 0.00 C ATOM 621 O LEU A 37 3.958 0.319 4.694 1.00 0.00 O ATOM 622 CB LEU A 37 0.908 0.424 6.314 1.00 0.00 C ATOM 623 CG LEU A 37 0.330 1.140 5.092 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.221 0.131 4.096 1.00 0.00 C ATOM 625 CD2 LEU A 37 -0.753 2.116 5.513 1.00 0.00 C ATOM 0 H LEU A 37 1.826 -1.130 8.001 1.00 0.00 H new ATOM 0 HA LEU A 37 1.937 -1.069 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.129 -0.203 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.170 1.172 7.062 1.00 0.00 H new ATOM 0 HG LEU A 37 1.131 1.700 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.628 0.657 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.579 -0.534 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.009 -0.454 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.154 2.617 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.553 1.576 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.331 2.857 6.191 1.00 0.00 H new ATOM 637 N ARG A 38 3.714 1.273 6.722 1.00 0.00 N ATOM 638 CA ARG A 38 4.819 2.210 6.544 1.00 0.00 C ATOM 639 C ARG A 38 6.090 1.485 6.104 1.00 0.00 C ATOM 640 O ARG A 38 6.752 1.892 5.147 1.00 0.00 O ATOM 641 CB ARG A 38 5.089 2.999 7.839 1.00 0.00 C ATOM 642 CG ARG A 38 5.569 2.139 9.003 1.00 0.00 C ATOM 643 CD ARG A 38 6.213 2.971 10.101 1.00 0.00 C ATOM 644 NE ARG A 38 5.243 3.797 10.812 1.00 0.00 N ATOM 645 CZ ARG A 38 5.447 5.066 11.151 1.00 0.00 C ATOM 646 NH1 ARG A 38 6.584 5.676 10.843 1.00 0.00 N ATOM 647 NH2 ARG A 38 4.508 5.724 11.817 1.00 0.00 N ATOM 0 H ARG A 38 3.262 1.323 7.635 1.00 0.00 H new ATOM 0 HA ARG A 38 4.529 2.911 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.836 3.766 7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.175 3.515 8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.726 1.585 9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.286 1.403 8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.712 2.310 10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.981 3.610 9.666 1.00 0.00 H new ATOM 0 HE ARG A 38 4.350 3.373 11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.314 5.171 10.340 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.728 6.650 11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.636 5.256 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.657 6.698 12.081 1.00 0.00 H new ATOM 661 N LEU A 39 6.384 0.380 6.778 1.00 0.00 N ATOM 662 CA LEU A 39 7.639 -0.331 6.603 1.00 0.00 C ATOM 663 C LEU A 39 7.775 -0.911 5.201 1.00 0.00 C ATOM 664 O LEU A 39 8.856 -0.890 4.616 1.00 0.00 O ATOM 665 CB LEU A 39 7.733 -1.455 7.637 1.00 0.00 C ATOM 666 CG LEU A 39 9.081 -2.170 7.706 1.00 0.00 C ATOM 667 CD1 LEU A 39 10.157 -1.226 8.221 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.983 -3.408 8.587 1.00 0.00 C ATOM 0 H LEU A 39 5.757 -0.046 7.461 1.00 0.00 H new ATOM 0 HA LEU A 39 8.451 0.382 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.510 -1.041 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.960 -2.192 7.419 1.00 0.00 H new ATOM 0 HG LEU A 39 9.357 -2.488 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.111 -1.751 8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.243 -0.371 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.889 -0.878 9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.952 -3.905 8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.686 -3.115 9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.241 -4.091 8.174 1.00 0.00 H new ATOM 680 N HIS A 40 6.685 -1.430 4.658 1.00 0.00 N ATOM 681 CA HIS A 40 6.765 -2.164 3.403 1.00 0.00 C ATOM 682 C HIS A 40 6.332 -1.329 2.201 1.00 0.00 C ATOM 683 O HIS A 40 6.965 -1.390 1.150 1.00 0.00 O ATOM 684 CB HIS A 40 5.931 -3.444 3.480 1.00 0.00 C ATOM 685 CG HIS A 40 6.412 -4.408 4.522 1.00 0.00 C ATOM 686 ND1 HIS A 40 5.815 -4.539 5.757 1.00 0.00 N ATOM 687 CD2 HIS A 40 7.438 -5.292 4.509 1.00 0.00 C ATOM 688 CE1 HIS A 40 6.452 -5.460 6.457 1.00 0.00 C ATOM 689 NE2 HIS A 40 7.440 -5.932 5.723 1.00 0.00 N ATOM 0 H HIS A 40 5.749 -1.359 5.057 1.00 0.00 H new ATOM 0 HA HIS A 40 7.814 -2.419 3.255 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.894 -3.181 3.690 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.944 -3.936 2.507 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.007 -4.007 6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.127 -5.462 3.695 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.205 -5.773 7.461 1.00 0.00 H new ATOM 698 N VAL A 41 5.274 -0.540 2.349 1.00 0.00 N ATOM 699 CA VAL A 41 4.664 0.100 1.189 1.00 0.00 C ATOM 700 C VAL A 41 5.257 1.482 0.897 1.00 0.00 C ATOM 701 O VAL A 41 5.365 1.870 -0.259 1.00 0.00 O ATOM 702 CB VAL A 41 3.120 0.209 1.324 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.531 -1.089 1.859 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.704 1.397 2.182 1.00 0.00 C ATOM 0 H VAL A 41 4.828 -0.331 3.242 1.00 0.00 H new ATOM 0 HA VAL A 41 4.894 -0.551 0.345 1.00 0.00 H new ATOM 0 HB VAL A 41 2.717 0.381 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.449 -0.989 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.767 -1.905 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.955 -1.304 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.617 1.434 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.126 1.289 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.071 2.318 1.730 1.00 0.00 H new ATOM 714 N ILE A 42 5.672 2.213 1.926 1.00 0.00 N ATOM 715 CA ILE A 42 6.108 3.596 1.729 1.00 0.00 C ATOM 716 C ILE A 42 7.411 3.714 0.911 1.00 0.00 C ATOM 717 O ILE A 42 7.468 4.516 -0.024 1.00 0.00 O ATOM 718 CB ILE A 42 6.245 4.356 3.070 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.872 4.482 3.738 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.858 5.736 2.856 1.00 0.00 C ATOM 721 CD1 ILE A 42 4.880 5.302 5.012 1.00 0.00 C ATOM 0 H ILE A 42 5.717 1.881 2.890 1.00 0.00 H new ATOM 0 HA ILE A 42 5.318 4.066 1.143 1.00 0.00 H new ATOM 0 HB ILE A 42 6.910 3.790 3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.176 4.934 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.496 3.484 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.943 6.249 3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.848 5.630 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.222 6.317 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.872 5.344 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.550 4.840 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.225 6.312 4.792 1.00 0.00 H new ATOM 733 N PRO A 43 8.471 2.939 1.231 1.00 0.00 N ATOM 734 CA PRO A 43 9.755 3.030 0.515 1.00 0.00 C ATOM 735 C PRO A 43 9.642 2.797 -0.999 1.00 0.00 C ATOM 736 O PRO A 43 10.264 3.509 -1.788 1.00 0.00 O ATOM 737 CB PRO A 43 10.612 1.927 1.152 1.00 0.00 C ATOM 738 CG PRO A 43 9.650 1.047 1.871 1.00 0.00 C ATOM 739 CD PRO A 43 8.534 1.944 2.315 1.00 0.00 C ATOM 0 HA PRO A 43 10.172 4.033 0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.163 1.370 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.348 2.347 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.280 0.256 1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.125 0.562 2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.595 1.401 2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.745 2.407 3.279 1.00 0.00 H new ATOM 747 N THR A 44 8.854 1.808 -1.405 1.00 0.00 N ATOM 748 CA THR A 44 8.793 1.428 -2.814 1.00 0.00 C ATOM 749 C THR A 44 7.501 1.898 -3.495 1.00 0.00 C ATOM 750 O THR A 44 7.544 2.480 -4.580 1.00 0.00 O ATOM 751 CB THR A 44 8.968 -0.103 -2.992 1.00 0.00 C ATOM 752 OG1 THR A 44 8.844 -0.472 -4.374 1.00 0.00 O ATOM 753 CG2 THR A 44 7.958 -0.884 -2.161 1.00 0.00 C ATOM 0 H THR A 44 8.255 1.260 -0.788 1.00 0.00 H new ATOM 0 HA THR A 44 9.623 1.936 -3.304 1.00 0.00 H new ATOM 0 HB THR A 44 9.969 -0.355 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.959 -1.441 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.112 -1.953 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.091 -0.643 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.948 -0.616 -2.470 1.00 0.00 H new ATOM 761 N LEU A 45 6.363 1.680 -2.846 1.00 0.00 N ATOM 762 CA LEU A 45 5.070 1.969 -3.453 1.00 0.00 C ATOM 763 C LEU A 45 4.719 3.440 -3.252 1.00 0.00 C ATOM 764 O LEU A 45 4.085 4.066 -4.101 1.00 0.00 O ATOM 765 CB LEU A 45 4.002 1.051 -2.832 1.00 0.00 C ATOM 766 CG LEU A 45 2.754 0.767 -3.680 1.00 0.00 C ATOM 767 CD1 LEU A 45 1.822 1.966 -3.723 1.00 0.00 C ATOM 768 CD2 LEU A 45 3.153 0.350 -5.086 1.00 0.00 C ATOM 0 H LEU A 45 6.310 1.304 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 45 5.111 1.778 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.472 0.098 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.679 1.495 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 45 2.212 -0.054 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.950 1.727 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.501 2.214 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.345 2.818 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.257 0.152 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.726 1.151 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.763 -0.552 -5.039 1.00 0.00 H new ATOM 780 N GLY A 46 5.183 3.999 -2.139 1.00 0.00 N ATOM 781 CA GLY A 46 4.894 5.385 -1.815 1.00 0.00 C ATOM 782 C GLY A 46 5.692 6.372 -2.653 1.00 0.00 C ATOM 783 O GLY A 46 5.772 7.555 -2.324 1.00 0.00 O ATOM 0 H GLY A 46 5.758 3.513 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.830 5.572 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.107 5.557 -0.760 1.00 0.00 H new ATOM 787 N SER A 47 6.290 5.888 -3.731 1.00 0.00 N ATOM 788 CA SER A 47 7.014 6.747 -4.656 1.00 0.00 C ATOM 789 C SER A 47 6.238 6.889 -5.961 1.00 0.00 C ATOM 790 O SER A 47 6.661 7.590 -6.877 1.00 0.00 O ATOM 791 CB SER A 47 8.404 6.176 -4.921 1.00 0.00 C ATOM 792 OG SER A 47 9.124 6.029 -3.708 1.00 0.00 O ATOM 0 H SER A 47 6.288 4.901 -3.988 1.00 0.00 H new ATOM 0 HA SER A 47 7.122 7.735 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.317 5.210 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.950 6.834 -5.597 1.00 0.00 H new ATOM 0 HG SER A 47 10.012 5.660 -3.897 1.00 0.00 H new ATOM 798 N ILE A 48 5.096 6.220 -6.030 1.00 0.00 N ATOM 799 CA ILE A 48 4.270 6.239 -7.224 1.00 0.00 C ATOM 800 C ILE A 48 2.953 6.959 -6.943 1.00 0.00 C ATOM 801 O ILE A 48 2.249 6.630 -5.985 1.00 0.00 O ATOM 802 CB ILE A 48 3.997 4.803 -7.724 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.327 4.086 -7.978 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.146 4.817 -8.988 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.177 2.629 -8.352 1.00 0.00 C ATOM 0 H ILE A 48 4.721 5.655 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 48 4.808 6.778 -8.004 1.00 0.00 H new ATOM 0 HB ILE A 48 3.441 4.265 -6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.860 4.603 -8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.945 4.159 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.969 3.794 -9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.192 5.301 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.668 5.366 -9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.162 2.192 -8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.673 2.096 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.587 2.547 -9.265 1.00 0.00 H new ATOM 817 N PRO A 49 2.629 7.984 -7.751 1.00 0.00 N ATOM 818 CA PRO A 49 1.399 8.767 -7.594 1.00 0.00 C ATOM 819 C PRO A 49 0.146 7.899 -7.618 1.00 0.00 C ATOM 820 O PRO A 49 0.078 6.906 -8.341 1.00 0.00 O ATOM 821 CB PRO A 49 1.418 9.711 -8.801 1.00 0.00 C ATOM 822 CG PRO A 49 2.852 9.809 -9.182 1.00 0.00 C ATOM 823 CD PRO A 49 3.449 8.466 -8.875 1.00 0.00 C ATOM 0 HA PRO A 49 1.368 9.281 -6.633 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.817 9.318 -9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.009 10.688 -8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.960 10.053 -10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.353 10.597 -8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.393 7.795 -9.732 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.501 8.546 -8.601 1.00 0.00 H new ATOM 831 N LEU A 50 -0.852 8.291 -6.833 1.00 0.00 N ATOM 832 CA LEU A 50 -2.099 7.537 -6.733 1.00 0.00 C ATOM 833 C LEU A 50 -2.816 7.480 -8.080 1.00 0.00 C ATOM 834 O LEU A 50 -3.512 6.514 -8.383 1.00 0.00 O ATOM 835 CB LEU A 50 -3.018 8.162 -5.681 1.00 0.00 C ATOM 836 CG LEU A 50 -2.505 8.088 -4.241 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.434 8.845 -3.305 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.377 6.640 -3.798 1.00 0.00 C ATOM 0 H LEU A 50 -0.822 9.130 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.851 6.519 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.180 9.209 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.988 7.668 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.520 8.553 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.054 8.782 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.484 9.890 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.431 8.406 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.011 6.604 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.352 6.155 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.676 6.120 -4.451 1.00 0.00 H new ATOM 850 N LYS A 51 -2.622 8.510 -8.891 1.00 0.00 N ATOM 851 CA LYS A 51 -3.256 8.583 -10.203 1.00 0.00 C ATOM 852 C LYS A 51 -2.426 7.845 -11.254 1.00 0.00 C ATOM 853 O LYS A 51 -2.740 7.874 -12.446 1.00 0.00 O ATOM 854 CB LYS A 51 -3.444 10.043 -10.616 1.00 0.00 C ATOM 855 CG LYS A 51 -4.317 10.845 -9.662 1.00 0.00 C ATOM 856 CD LYS A 51 -5.724 10.268 -9.566 1.00 0.00 C ATOM 857 CE LYS A 51 -6.625 11.120 -8.685 1.00 0.00 C ATOM 858 NZ LYS A 51 -6.739 12.512 -9.186 1.00 0.00 N ATOM 0 H LYS A 51 -2.030 9.309 -8.665 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.231 8.101 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.466 10.520 -10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.886 10.075 -11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.860 10.856 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.370 11.880 -10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.156 10.195 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.675 9.256 -9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.616 10.670 -8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.232 11.132 -7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.562 12.972 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.877 13.040 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.858 12.500 -10.219 1.00 0.00 H new ATOM 872 N LYS A 52 -1.371 7.179 -10.804 1.00 0.00 N ATOM 873 CA LYS A 52 -0.480 6.454 -11.698 1.00 0.00 C ATOM 874 C LYS A 52 -0.237 5.044 -11.162 1.00 0.00 C ATOM 875 O LYS A 52 0.596 4.297 -11.674 1.00 0.00 O ATOM 876 CB LYS A 52 0.846 7.214 -11.833 1.00 0.00 C ATOM 877 CG LYS A 52 1.720 6.734 -12.978 1.00 0.00 C ATOM 878 CD LYS A 52 3.028 7.501 -13.045 1.00 0.00 C ATOM 879 CE LYS A 52 3.828 7.131 -14.284 1.00 0.00 C ATOM 880 NZ LYS A 52 3.099 7.472 -15.537 1.00 0.00 N ATOM 0 H LYS A 52 -1.111 7.126 -9.819 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.941 6.375 -12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.633 8.274 -11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.403 7.121 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.927 5.671 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.182 6.849 -13.919 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.823 8.572 -13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.619 7.293 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.785 7.652 -14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.046 6.063 -14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.771 7.513 -16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.380 6.745 -15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.636 8.397 -15.428 1.00 0.00 H new ATOM 894 N LEU A 53 -0.990 4.679 -10.135 1.00 0.00 N ATOM 895 CA LEU A 53 -0.797 3.403 -9.469 1.00 0.00 C ATOM 896 C LEU A 53 -1.503 2.284 -10.236 1.00 0.00 C ATOM 897 O LEU A 53 -2.713 2.342 -10.475 1.00 0.00 O ATOM 898 CB LEU A 53 -1.306 3.494 -8.023 1.00 0.00 C ATOM 899 CG LEU A 53 -0.830 2.387 -7.069 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.576 1.087 -7.311 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.670 2.171 -7.211 1.00 0.00 C ATOM 0 H LEU A 53 -1.740 5.250 -9.746 1.00 0.00 H new ATOM 0 HA LEU A 53 0.267 3.166 -9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.001 4.456 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.396 3.486 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.045 2.711 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.215 0.326 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.643 1.245 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.407 0.756 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.990 1.384 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.900 1.879 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.195 3.095 -6.971 1.00 0.00 H new ATOM 913 N GLN A 54 -0.732 1.281 -10.632 1.00 0.00 N ATOM 914 CA GLN A 54 -1.259 0.126 -11.340 1.00 0.00 C ATOM 915 C GLN A 54 -0.884 -1.170 -10.617 1.00 0.00 C ATOM 916 O GLN A 54 0.021 -1.180 -9.782 1.00 0.00 O ATOM 917 CB GLN A 54 -0.741 0.115 -12.782 1.00 0.00 C ATOM 918 CG GLN A 54 -1.397 1.170 -13.659 1.00 0.00 C ATOM 919 CD GLN A 54 -2.873 0.900 -13.873 1.00 0.00 C ATOM 920 OE1 GLN A 54 -3.260 0.237 -14.834 1.00 0.00 O ATOM 921 NE2 GLN A 54 -3.705 1.384 -12.963 1.00 0.00 N ATOM 0 H GLN A 54 0.275 1.246 -10.471 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.347 0.194 -11.361 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.337 0.275 -12.776 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.914 -0.869 -13.217 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.272 2.151 -13.200 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.892 1.203 -14.624 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.344 1.929 -12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.707 1.211 -13.045 1.00 0.00 H new ATOM 930 N PRO A 55 -1.591 -2.281 -10.914 1.00 0.00 N ATOM 931 CA PRO A 55 -1.337 -3.587 -10.278 1.00 0.00 C ATOM 932 C PRO A 55 0.120 -4.040 -10.403 1.00 0.00 C ATOM 933 O PRO A 55 0.634 -4.752 -9.538 1.00 0.00 O ATOM 934 CB PRO A 55 -2.259 -4.542 -11.042 1.00 0.00 C ATOM 935 CG PRO A 55 -3.347 -3.676 -11.571 1.00 0.00 C ATOM 936 CD PRO A 55 -2.705 -2.355 -11.880 1.00 0.00 C ATOM 0 HA PRO A 55 -1.525 -3.551 -9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.726 -5.046 -11.849 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.654 -5.319 -10.387 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.794 -4.112 -12.464 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.146 -3.561 -10.839 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.348 -2.313 -12.909 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.404 -1.529 -11.751 1.00 0.00 H new ATOM 944 N ALA A 56 0.783 -3.618 -11.475 1.00 0.00 N ATOM 945 CA ALA A 56 2.179 -3.974 -11.704 1.00 0.00 C ATOM 946 C ALA A 56 3.081 -3.336 -10.656 1.00 0.00 C ATOM 947 O ALA A 56 4.064 -3.938 -10.215 1.00 0.00 O ATOM 948 CB ALA A 56 2.611 -3.546 -13.097 1.00 0.00 C ATOM 0 H ALA A 56 0.375 -3.028 -12.200 1.00 0.00 H new ATOM 0 HA ALA A 56 2.271 -5.057 -11.622 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.655 -3.818 -13.254 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.990 -4.046 -13.840 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.498 -2.466 -13.197 1.00 0.00 H new ATOM 954 N ASP A 57 2.722 -2.126 -10.251 1.00 0.00 N ATOM 955 CA ASP A 57 3.491 -1.374 -9.269 1.00 0.00 C ATOM 956 C ASP A 57 3.366 -2.024 -7.901 1.00 0.00 C ATOM 957 O ASP A 57 4.319 -2.067 -7.124 1.00 0.00 O ATOM 958 CB ASP A 57 2.993 0.071 -9.211 1.00 0.00 C ATOM 959 CG ASP A 57 3.013 0.744 -10.573 1.00 0.00 C ATOM 960 OD1 ASP A 57 4.104 1.124 -11.046 1.00 0.00 O ATOM 961 OD2 ASP A 57 1.934 0.876 -11.186 1.00 0.00 O ATOM 0 H ASP A 57 1.893 -1.639 -10.592 1.00 0.00 H new ATOM 0 HA ASP A 57 4.540 -1.375 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.977 0.087 -8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.614 0.639 -8.518 1.00 0.00 H new ATOM 966 N ILE A 58 2.180 -2.546 -7.620 1.00 0.00 N ATOM 967 CA ILE A 58 1.930 -3.251 -6.372 1.00 0.00 C ATOM 968 C ILE A 58 2.685 -4.579 -6.353 1.00 0.00 C ATOM 969 O ILE A 58 3.168 -5.018 -5.308 1.00 0.00 O ATOM 970 CB ILE A 58 0.421 -3.489 -6.162 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.323 -2.152 -6.167 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.170 -4.234 -4.858 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.825 -2.294 -6.052 1.00 0.00 C ATOM 0 H ILE A 58 1.374 -2.494 -8.242 1.00 0.00 H new ATOM 0 HA ILE A 58 2.291 -2.629 -5.553 1.00 0.00 H new ATOM 0 HB ILE A 58 0.047 -4.104 -6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.040 -1.541 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.086 -1.618 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.901 -4.392 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.678 -5.198 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.553 -3.646 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.286 -1.306 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.201 -2.878 -6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.072 -2.800 -5.119 1.00 0.00 H new ATOM 985 N GLN A 59 2.799 -5.206 -7.518 1.00 0.00 N ATOM 986 CA GLN A 59 3.614 -6.406 -7.667 1.00 0.00 C ATOM 987 C GLN A 59 5.064 -6.081 -7.314 1.00 0.00 C ATOM 988 O GLN A 59 5.743 -6.855 -6.638 1.00 0.00 O ATOM 989 CB GLN A 59 3.496 -6.932 -9.107 1.00 0.00 C ATOM 990 CG GLN A 59 4.238 -8.239 -9.385 1.00 0.00 C ATOM 991 CD GLN A 59 5.729 -8.058 -9.643 1.00 0.00 C ATOM 992 OE1 GLN A 59 6.531 -8.954 -9.377 1.00 0.00 O ATOM 993 NE2 GLN A 59 6.109 -6.900 -10.166 1.00 0.00 N ATOM 0 H GLN A 59 2.336 -4.903 -8.375 1.00 0.00 H new ATOM 0 HA GLN A 59 3.262 -7.184 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.441 -7.075 -9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.871 -6.168 -9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.105 -8.909 -8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.786 -8.726 -10.249 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.415 -6.182 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.095 -6.728 -10.361 1.00 0.00 H new ATOM 1002 N ARG A 60 5.515 -4.914 -7.768 1.00 0.00 N ATOM 1003 CA ARG A 60 6.859 -4.423 -7.478 1.00 0.00 C ATOM 1004 C ARG A 60 7.068 -4.272 -5.972 1.00 0.00 C ATOM 1005 O ARG A 60 8.137 -4.589 -5.456 1.00 0.00 O ATOM 1006 CB ARG A 60 7.076 -3.087 -8.194 1.00 0.00 C ATOM 1007 CG ARG A 60 8.284 -2.297 -7.714 1.00 0.00 C ATOM 1008 CD ARG A 60 8.436 -1.008 -8.504 1.00 0.00 C ATOM 1009 NE ARG A 60 9.401 -0.096 -7.890 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.555 0.260 -8.454 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.927 -0.262 -9.617 1.00 0.00 N ATOM 1012 NH2 ARG A 60 11.344 1.139 -7.851 1.00 0.00 N ATOM 0 H ARG A 60 4.960 -4.283 -8.346 1.00 0.00 H new ATOM 0 HA ARG A 60 7.590 -5.146 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.184 -3.276 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.184 -2.473 -8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.176 -2.068 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.185 -2.902 -7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.754 -1.242 -9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.468 -0.513 -8.579 1.00 0.00 H new ATOM 0 HE ARG A 60 9.177 0.291 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.328 -0.941 -10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.812 0.016 -10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.068 1.542 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.227 1.412 -8.282 1.00 0.00 H new ATOM 1026 N LEU A 61 6.037 -3.790 -5.282 1.00 0.00 N ATOM 1027 CA LEU A 61 6.059 -3.677 -3.826 1.00 0.00 C ATOM 1028 C LEU A 61 6.409 -5.030 -3.211 1.00 0.00 C ATOM 1029 O LEU A 61 7.420 -5.171 -2.517 1.00 0.00 O ATOM 1030 CB LEU A 61 4.677 -3.208 -3.328 1.00 0.00 C ATOM 1031 CG LEU A 61 4.590 -2.636 -1.900 1.00 0.00 C ATOM 1032 CD1 LEU A 61 3.158 -2.237 -1.606 1.00 0.00 C ATOM 1033 CD2 LEU A 61 5.064 -3.632 -0.849 1.00 0.00 C ATOM 0 H LEU A 61 5.170 -3.469 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 61 6.813 -2.949 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.312 -2.447 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.992 -4.053 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 61 5.248 -1.768 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.093 -1.832 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.837 -1.480 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.512 -3.111 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.984 -3.182 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.445 -4.528 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.103 -3.899 -1.043 1.00 0.00 H new ATOM 1045 N TYR A 62 5.567 -6.021 -3.484 1.00 0.00 N ATOM 1046 CA TYR A 62 5.733 -7.350 -2.912 1.00 0.00 C ATOM 1047 C TYR A 62 7.050 -7.980 -3.347 1.00 0.00 C ATOM 1048 O TYR A 62 7.765 -8.550 -2.529 1.00 0.00 O ATOM 1049 CB TYR A 62 4.573 -8.261 -3.313 1.00 0.00 C ATOM 1050 CG TYR A 62 3.211 -7.743 -2.908 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.990 -7.213 -1.640 1.00 0.00 C ATOM 1052 CD2 TYR A 62 2.145 -7.788 -3.794 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.744 -6.749 -1.271 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.896 -7.323 -3.432 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.702 -6.803 -2.169 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.542 -6.339 -1.805 1.00 0.00 O ATOM 0 H TYR A 62 4.760 -5.927 -4.101 1.00 0.00 H new ATOM 0 HA TYR A 62 5.743 -7.238 -1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.590 -8.399 -4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.724 -9.243 -2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.806 -7.164 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.294 -8.194 -4.784 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.587 -6.345 -0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.076 -7.366 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.164 -6.449 -2.554 1.00 0.00 H new ATOM 1066 N ALA A 63 7.371 -7.865 -4.633 1.00 0.00 N ATOM 1067 CA ALA A 63 8.583 -8.468 -5.179 1.00 0.00 C ATOM 1068 C ALA A 63 9.832 -7.897 -4.522 1.00 0.00 C ATOM 1069 O ALA A 63 10.742 -8.640 -4.152 1.00 0.00 O ATOM 1070 CB ALA A 63 8.641 -8.267 -6.687 1.00 0.00 C ATOM 0 H ALA A 63 6.808 -7.359 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 63 8.550 -9.536 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.550 -8.722 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.772 -8.734 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.642 -7.201 -6.912 1.00 0.00 H new ATOM 1076 N SER A 64 9.860 -6.579 -4.360 1.00 0.00 N ATOM 1077 CA SER A 64 11.018 -5.899 -3.798 1.00 0.00 C ATOM 1078 C SER A 64 11.263 -6.330 -2.352 1.00 0.00 C ATOM 1079 O SER A 64 12.406 -6.529 -1.938 1.00 0.00 O ATOM 1080 CB SER A 64 10.823 -4.380 -3.875 1.00 0.00 C ATOM 1081 OG SER A 64 12.003 -3.684 -3.511 1.00 0.00 O ATOM 0 H SER A 64 9.090 -5.959 -4.611 1.00 0.00 H new ATOM 0 HA SER A 64 11.894 -6.177 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.533 -4.101 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.007 -4.083 -3.216 1.00 0.00 H new ATOM 0 HG SER A 64 11.845 -2.719 -3.572 1.00 0.00 H new ATOM 1087 N LYS A 65 10.192 -6.494 -1.589 1.00 0.00 N ATOM 1088 CA LYS A 65 10.326 -6.838 -0.181 1.00 0.00 C ATOM 1089 C LYS A 65 10.384 -8.346 0.041 1.00 0.00 C ATOM 1090 O LYS A 65 10.956 -8.804 1.028 1.00 0.00 O ATOM 1091 CB LYS A 65 9.209 -6.195 0.642 1.00 0.00 C ATOM 1092 CG LYS A 65 9.484 -4.733 0.954 1.00 0.00 C ATOM 1093 CD LYS A 65 10.791 -4.590 1.721 1.00 0.00 C ATOM 1094 CE LYS A 65 11.225 -3.141 1.853 1.00 0.00 C ATOM 1095 NZ LYS A 65 12.492 -3.015 2.622 1.00 0.00 N ATOM 0 H LYS A 65 9.231 -6.396 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 65 11.278 -6.435 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.268 -6.276 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.086 -6.745 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.534 -4.160 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.664 -4.319 1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.677 -5.025 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.572 -5.156 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.357 -2.709 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.440 -2.569 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.757 -2.012 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.359 -3.405 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.247 -3.540 2.136 1.00 0.00 H new ATOM 1109 N LEU A 66 9.814 -9.121 -0.874 1.00 0.00 N ATOM 1110 CA LEU A 66 9.920 -10.575 -0.795 1.00 0.00 C ATOM 1111 C LEU A 66 11.373 -10.989 -0.974 1.00 0.00 C ATOM 1112 O LEU A 66 11.837 -11.965 -0.382 1.00 0.00 O ATOM 1113 CB LEU A 66 9.043 -11.253 -1.853 1.00 0.00 C ATOM 1114 CG LEU A 66 9.052 -12.785 -1.818 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.538 -13.294 -0.482 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.219 -13.350 -2.954 1.00 0.00 C ATOM 0 H LEU A 66 9.280 -8.774 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 66 9.567 -10.895 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.017 -10.908 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.371 -10.925 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 66 10.081 -13.122 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.552 -14.384 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.175 -12.920 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.517 -12.944 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.238 -14.439 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.191 -13.001 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.629 -13.016 -3.907 1.00 0.00 H new ATOM 1128 N GLU A 67 12.089 -10.206 -1.774 1.00 0.00 N ATOM 1129 CA GLU A 67 13.513 -10.407 -2.003 1.00 0.00 C ATOM 1130 C GLU A 67 14.302 -10.229 -0.699 1.00 0.00 C ATOM 1131 O GLU A 67 15.435 -10.693 -0.573 1.00 0.00 O ATOM 1132 CB GLU A 67 13.998 -9.415 -3.067 1.00 0.00 C ATOM 1133 CG GLU A 67 15.479 -9.507 -3.388 1.00 0.00 C ATOM 1134 CD GLU A 67 15.918 -8.469 -4.402 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.750 -7.263 -4.137 1.00 0.00 O ATOM 1136 OE2 GLU A 67 16.450 -8.859 -5.463 1.00 0.00 O ATOM 0 H GLU A 67 11.697 -9.413 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 67 13.679 -11.424 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.430 -9.578 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.775 -8.403 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.055 -9.381 -2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.703 -10.502 -3.771 1.00 0.00 H new ATOM 1143 N SER A 68 13.678 -9.580 0.280 1.00 0.00 N ATOM 1144 CA SER A 68 14.323 -9.309 1.555 1.00 0.00 C ATOM 1145 C SER A 68 14.074 -10.460 2.537 1.00 0.00 C ATOM 1146 O SER A 68 14.644 -10.501 3.631 1.00 0.00 O ATOM 1147 CB SER A 68 13.805 -7.983 2.126 1.00 0.00 C ATOM 1148 OG SER A 68 14.640 -7.496 3.165 1.00 0.00 O ATOM 0 H SER A 68 12.722 -9.232 0.211 1.00 0.00 H new ATOM 0 HA SER A 68 15.399 -9.226 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.746 -7.242 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.793 -8.122 2.507 1.00 0.00 H new ATOM 0 HG SER A 68 14.959 -8.247 3.708 1.00 0.00 H new ATOM 1154 N GLY A 69 13.227 -11.398 2.135 1.00 0.00 N ATOM 1155 CA GLY A 69 12.949 -12.552 2.966 1.00 0.00 C ATOM 1156 C GLY A 69 11.611 -12.458 3.672 1.00 0.00 C ATOM 1157 O GLY A 69 11.553 -12.412 4.902 1.00 0.00 O ATOM 0 H GLY A 69 12.727 -11.380 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.967 -13.451 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.740 -12.659 3.708 1.00 0.00 H new ATOM 1161 N LEU A 70 10.533 -12.413 2.901 1.00 0.00 N ATOM 1162 CA LEU A 70 9.192 -12.390 3.474 1.00 0.00 C ATOM 1163 C LEU A 70 8.554 -13.774 3.450 1.00 0.00 C ATOM 1164 O LEU A 70 8.698 -14.523 2.482 1.00 0.00 O ATOM 1165 CB LEU A 70 8.292 -11.398 2.732 1.00 0.00 C ATOM 1166 CG LEU A 70 8.627 -9.921 2.938 1.00 0.00 C ATOM 1167 CD1 LEU A 70 7.638 -9.046 2.182 1.00 0.00 C ATOM 1168 CD2 LEU A 70 8.621 -9.577 4.420 1.00 0.00 C ATOM 0 H LEU A 70 10.559 -12.392 1.882 1.00 0.00 H new ATOM 0 HA LEU A 70 9.293 -12.070 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.341 -11.618 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.261 -11.565 3.045 1.00 0.00 H new ATOM 0 HG LEU A 70 9.626 -9.732 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.888 -7.996 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.687 -9.277 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.629 -9.237 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.861 -8.522 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.634 -9.778 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.363 -10.184 4.938 1.00 0.00 H new ATOM 1180 N SER A 71 7.866 -14.108 4.531 1.00 0.00 N ATOM 1181 CA SER A 71 7.083 -15.335 4.602 1.00 0.00 C ATOM 1182 C SER A 71 5.803 -15.186 3.774 1.00 0.00 C ATOM 1183 O SER A 71 5.348 -14.062 3.535 1.00 0.00 O ATOM 1184 CB SER A 71 6.732 -15.635 6.062 1.00 0.00 C ATOM 1185 OG SER A 71 7.885 -15.585 6.884 1.00 0.00 O ATOM 0 H SER A 71 7.834 -13.542 5.379 1.00 0.00 H new ATOM 0 HA SER A 71 7.669 -16.160 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.996 -14.914 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.273 -16.621 6.134 1.00 0.00 H new ATOM 0 HG SER A 71 7.634 -15.778 7.811 1.00 0.00 H new ATOM 1191 N PRO A 72 5.200 -16.306 3.327 1.00 0.00 N ATOM 1192 CA PRO A 72 3.958 -16.277 2.540 1.00 0.00 C ATOM 1193 C PRO A 72 2.846 -15.512 3.253 1.00 0.00 C ATOM 1194 O PRO A 72 2.176 -14.669 2.659 1.00 0.00 O ATOM 1195 CB PRO A 72 3.585 -17.756 2.399 1.00 0.00 C ATOM 1196 CG PRO A 72 4.872 -18.488 2.565 1.00 0.00 C ATOM 1197 CD PRO A 72 5.681 -17.682 3.539 1.00 0.00 C ATOM 0 HA PRO A 72 4.092 -15.769 1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.859 -18.055 3.155 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.136 -17.960 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.702 -19.497 2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.392 -18.585 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.518 -18.011 4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.750 -17.769 3.342 1.00 0.00 H new ATOM 1205 N THR A 73 2.677 -15.797 4.538 1.00 0.00 N ATOM 1206 CA THR A 73 1.667 -15.139 5.351 1.00 0.00 C ATOM 1207 C THR A 73 2.000 -13.665 5.571 1.00 0.00 C ATOM 1208 O THR A 73 1.104 -12.835 5.732 1.00 0.00 O ATOM 1209 CB THR A 73 1.521 -15.851 6.704 1.00 0.00 C ATOM 1210 OG1 THR A 73 2.791 -16.400 7.089 1.00 0.00 O ATOM 1211 CG2 THR A 73 0.476 -16.956 6.626 1.00 0.00 C ATOM 0 H THR A 73 3.234 -16.487 5.042 1.00 0.00 H new ATOM 0 HA THR A 73 0.721 -15.196 4.812 1.00 0.00 H new ATOM 0 HB THR A 73 1.192 -15.127 7.450 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.703 -16.854 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.391 -17.445 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.487 -16.527 6.350 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.775 -17.688 5.876 1.00 0.00 H new ATOM 1219 N ARG A 74 3.288 -13.343 5.563 1.00 0.00 N ATOM 1220 CA ARG A 74 3.728 -11.959 5.672 1.00 0.00 C ATOM 1221 C ARG A 74 3.279 -11.173 4.449 1.00 0.00 C ATOM 1222 O ARG A 74 2.660 -10.120 4.575 1.00 0.00 O ATOM 1223 CB ARG A 74 5.250 -11.888 5.824 1.00 0.00 C ATOM 1224 CG ARG A 74 5.748 -12.329 7.191 1.00 0.00 C ATOM 1225 CD ARG A 74 5.406 -11.303 8.259 1.00 0.00 C ATOM 1226 NE ARG A 74 5.790 -11.747 9.596 1.00 0.00 N ATOM 1227 CZ ARG A 74 6.790 -11.223 10.303 1.00 0.00 C ATOM 1228 NH1 ARG A 74 7.566 -10.279 9.778 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.022 -11.658 11.534 1.00 0.00 N ATOM 0 H ARG A 74 4.045 -14.022 5.482 1.00 0.00 H new ATOM 0 HA ARG A 74 3.276 -11.518 6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.712 -12.513 5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.577 -10.865 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.303 -13.290 7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.827 -12.476 7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.910 -10.363 8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.335 -11.103 8.238 1.00 0.00 H new ATOM 0 HE ARG A 74 5.257 -12.509 10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.398 -9.951 8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.330 -9.883 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.436 -12.390 11.935 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.786 -11.260 12.080 1.00 0.00 H new ATOM 1243 N VAL A 75 3.575 -11.709 3.267 1.00 0.00 N ATOM 1244 CA VAL A 75 3.134 -11.096 2.016 1.00 0.00 C ATOM 1245 C VAL A 75 1.611 -11.033 1.976 1.00 0.00 C ATOM 1246 O VAL A 75 1.026 -10.036 1.553 1.00 0.00 O ATOM 1247 CB VAL A 75 3.642 -11.880 0.784 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.223 -11.190 -0.509 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.152 -12.040 0.840 1.00 0.00 C ATOM 0 H VAL A 75 4.117 -12.565 3.149 1.00 0.00 H new ATOM 0 HA VAL A 75 3.553 -10.090 1.978 1.00 0.00 H new ATOM 0 HB VAL A 75 3.189 -12.871 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.592 -11.760 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.136 -11.132 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.642 -10.184 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.492 -12.594 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.622 -11.057 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.427 -12.584 1.743 1.00 0.00 H new ATOM 1259 N ARG A 76 0.986 -12.109 2.440 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.465 -12.194 2.541 1.00 0.00 C ATOM 1261 C ARG A 76 -1.029 -11.049 3.382 1.00 0.00 C ATOM 1262 O ARG A 76 -1.972 -10.374 2.969 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.855 -13.542 3.152 1.00 0.00 C ATOM 1264 CG ARG A 76 -2.299 -13.627 3.612 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.585 -14.960 4.281 1.00 0.00 C ATOM 1266 NE ARG A 76 -3.850 -14.943 5.009 1.00 0.00 N ATOM 1267 CZ ARG A 76 -4.541 -16.032 5.334 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -4.098 -17.234 4.987 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -5.672 -15.920 6.017 1.00 0.00 N ATOM 0 H ARG A 76 1.472 -12.948 2.757 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.888 -12.111 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.674 -14.326 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.203 -13.744 4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.510 -12.815 4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.964 -13.496 2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.611 -15.747 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.774 -15.203 4.968 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.229 -14.037 5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.224 -17.325 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.631 -18.066 5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.012 -14.999 6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.202 -16.755 6.266 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.443 -10.821 4.551 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.930 -9.785 5.452 1.00 0.00 C ATOM 1285 C TYR A 77 -0.730 -8.403 4.838 1.00 0.00 C ATOM 1286 O TYR A 77 -1.586 -7.528 4.975 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.231 -9.860 6.811 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.883 -9.000 7.872 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -2.098 -9.370 8.439 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.290 -7.820 8.307 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.702 -8.589 9.406 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.891 -7.034 9.273 1.00 0.00 C ATOM 1293 CZ TYR A 77 -2.094 -7.425 9.820 1.00 0.00 C ATOM 1294 OH TYR A 77 -2.696 -6.644 10.780 1.00 0.00 O ATOM 0 H TYR A 77 0.366 -11.337 4.896 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.996 -9.954 5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.221 -10.896 7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.808 -9.553 6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.577 -10.283 8.118 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.655 -7.512 7.884 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.646 -8.890 9.835 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.420 -6.118 9.597 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.455 -6.167 10.385 1.00 0.00 H new ATOM 1304 N ILE A 78 0.400 -8.212 4.160 1.00 0.00 N ATOM 1305 CA ILE A 78 0.673 -6.953 3.472 1.00 0.00 C ATOM 1306 C ILE A 78 -0.348 -6.734 2.357 1.00 0.00 C ATOM 1307 O ILE A 78 -0.771 -5.607 2.092 1.00 0.00 O ATOM 1308 CB ILE A 78 2.100 -6.917 2.879 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.136 -7.214 3.964 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.380 -5.558 2.250 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.548 -7.345 3.435 1.00 0.00 C ATOM 0 H ILE A 78 1.138 -8.910 4.073 1.00 0.00 H new ATOM 0 HA ILE A 78 0.595 -6.154 4.210 1.00 0.00 H new ATOM 0 HB ILE A 78 2.170 -7.683 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.108 -6.418 4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.861 -8.137 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.389 -5.549 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.660 -5.371 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.292 -4.781 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.228 -7.555 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.592 -8.160 2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.843 -6.414 2.950 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.749 -7.827 1.722 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.764 -7.786 0.678 1.00 0.00 C ATOM 1325 C HIS A 79 -3.101 -7.331 1.263 1.00 0.00 C ATOM 1326 O HIS A 79 -3.842 -6.572 0.636 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.906 -9.173 0.039 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.658 -9.182 -1.255 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -4.017 -9.387 -1.342 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.223 -9.028 -2.526 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.382 -9.364 -2.609 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.312 -9.147 -3.350 1.00 0.00 N ATOM 0 H HIS A 79 -0.384 -8.760 1.914 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.460 -7.073 -0.089 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.911 -9.586 -0.130 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.410 -9.835 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.205 -8.845 -2.835 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.388 -9.500 -2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.298 -9.079 -4.368 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.387 -7.791 2.476 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.630 -7.457 3.161 1.00 0.00 C ATOM 1343 C VAL A 80 -4.635 -6.001 3.629 1.00 0.00 C ATOM 1344 O VAL A 80 -5.586 -5.263 3.366 1.00 0.00 O ATOM 1345 CB VAL A 80 -4.871 -8.385 4.373 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -6.129 -7.982 5.127 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.963 -9.834 3.922 1.00 0.00 C ATOM 0 H VAL A 80 -2.768 -8.402 3.009 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.435 -7.599 2.440 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.023 -8.284 5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.275 -8.651 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.026 -6.958 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.989 -8.047 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.133 -10.474 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.790 -9.945 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.032 -10.123 3.434 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.571 -5.588 4.312 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.494 -4.232 4.852 1.00 0.00 C ATOM 1359 C VAL A 81 -3.519 -3.190 3.734 1.00 0.00 C ATOM 1360 O VAL A 81 -4.155 -2.141 3.863 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.243 -4.030 5.750 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -0.953 -4.241 4.971 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.258 -2.653 6.397 1.00 0.00 C ATOM 0 H VAL A 81 -2.754 -6.168 4.504 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.376 -4.093 5.478 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.281 -4.783 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.100 -4.091 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.930 -5.256 4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.904 -3.528 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.372 -2.535 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.261 -1.887 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.152 -2.550 7.012 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.853 -3.495 2.625 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.820 -2.588 1.488 1.00 0.00 C ATOM 1375 C LEU A 82 -4.197 -2.498 0.841 1.00 0.00 C ATOM 1376 O LEU A 82 -4.658 -1.412 0.494 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.780 -3.049 0.464 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.531 -2.074 -0.688 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.995 -0.750 -0.169 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.569 -2.676 -1.700 1.00 0.00 C ATOM 0 H LEU A 82 -2.331 -4.361 2.491 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.538 -1.598 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.837 -3.226 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.100 -4.005 0.049 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.483 -1.886 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.826 -0.073 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.719 -0.307 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.055 -0.919 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.405 -1.967 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.381 -2.896 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.993 -3.596 -2.102 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.857 -3.646 0.708 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.202 -3.701 0.143 1.00 0.00 C ATOM 1394 C HIS A 83 -7.166 -2.867 0.976 1.00 0.00 C ATOM 1395 O HIS A 83 -8.049 -2.199 0.440 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.682 -5.158 0.066 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.112 -5.321 -0.368 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.505 -5.335 -1.692 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -9.243 -5.487 0.358 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -9.816 -5.501 -1.756 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -10.283 -5.597 -0.528 1.00 0.00 N ATOM 0 H HIS A 83 -4.481 -4.553 0.985 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.174 -3.287 -0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.041 -5.702 -0.627 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.558 -5.620 1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.313 -5.526 1.435 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.403 -5.550 -2.661 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.262 -5.732 -0.277 1.00 0.00 H new ATOM 1410 N GLU A 84 -6.982 -2.906 2.286 1.00 0.00 N ATOM 1411 CA GLU A 84 -7.845 -2.176 3.199 1.00 0.00 C ATOM 1412 C GLU A 84 -7.607 -0.677 3.076 1.00 0.00 C ATOM 1413 O GLU A 84 -8.528 0.086 2.797 1.00 0.00 O ATOM 1414 CB GLU A 84 -7.591 -2.617 4.638 1.00 0.00 C ATOM 1415 CG GLU A 84 -8.686 -2.202 5.602 1.00 0.00 C ATOM 1416 CD GLU A 84 -9.987 -2.936 5.337 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -9.937 -4.120 4.934 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -11.066 -2.344 5.533 1.00 0.00 O ATOM 0 H GLU A 84 -6.240 -3.437 2.741 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.880 -2.394 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.487 -3.702 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.643 -2.198 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.362 -2.397 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.853 -1.128 5.520 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.357 -0.267 3.261 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.013 1.148 3.287 1.00 0.00 C ATOM 1427 C ALA A 85 -6.250 1.819 1.932 1.00 0.00 C ATOM 1428 O ALA A 85 -6.834 2.900 1.863 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.567 1.330 3.720 1.00 0.00 C ATOM 0 H ALA A 85 -5.565 -0.896 3.395 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.669 1.632 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.323 2.392 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.430 0.912 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.910 0.817 3.018 1.00 0.00 H new ATOM 1435 N MET A 86 -5.818 1.168 0.857 1.00 0.00 N ATOM 1436 CA MET A 86 -5.906 1.759 -0.475 1.00 0.00 C ATOM 1437 C MET A 86 -7.357 1.871 -0.939 1.00 0.00 C ATOM 1438 O MET A 86 -7.703 2.766 -1.714 1.00 0.00 O ATOM 1439 CB MET A 86 -5.086 0.940 -1.481 1.00 0.00 C ATOM 1440 CG MET A 86 -5.084 1.515 -2.889 1.00 0.00 C ATOM 1441 SD MET A 86 -4.006 0.602 -4.016 1.00 0.00 S ATOM 1442 CE MET A 86 -2.398 0.929 -3.295 1.00 0.00 C ATOM 0 H MET A 86 -5.405 0.236 0.881 1.00 0.00 H new ATOM 0 HA MET A 86 -5.492 2.766 -0.420 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.058 0.871 -1.126 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.480 -0.076 -1.515 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.101 1.508 -3.281 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.764 2.556 -2.851 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.724 1.307 -4.064 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.498 1.672 -2.504 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.992 0.007 -2.878 1.00 0.00 H new ATOM 1452 N SER A 87 -8.215 0.986 -0.449 1.00 0.00 N ATOM 1453 CA SER A 87 -9.611 0.993 -0.863 1.00 0.00 C ATOM 1454 C SER A 87 -10.331 2.225 -0.320 1.00 0.00 C ATOM 1455 O SER A 87 -11.288 2.705 -0.926 1.00 0.00 O ATOM 1456 CB SER A 87 -10.329 -0.282 -0.412 1.00 0.00 C ATOM 1457 OG SER A 87 -10.424 -0.353 0.998 1.00 0.00 O ATOM 0 H SER A 87 -7.973 0.262 0.228 1.00 0.00 H new ATOM 0 HA SER A 87 -9.632 1.029 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.328 -0.311 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.793 -1.154 -0.786 1.00 0.00 H new ATOM 0 HG SER A 87 -9.524 -0.362 1.386 1.00 0.00 H new ATOM 1463 N GLN A 88 -9.854 2.753 0.809 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.451 3.948 1.399 1.00 0.00 C ATOM 1465 C GLN A 88 -10.277 5.139 0.465 1.00 0.00 C ATOM 1466 O GLN A 88 -11.118 6.031 0.419 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.843 4.259 2.769 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.050 3.156 3.792 1.00 0.00 C ATOM 1469 CD GLN A 88 -9.723 3.593 5.207 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -8.586 3.483 5.660 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -10.723 4.090 5.917 1.00 0.00 N ATOM 0 H GLN A 88 -9.062 2.374 1.328 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.515 3.755 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.774 4.437 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.280 5.182 3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.086 2.820 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.427 2.301 3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.653 4.165 5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.564 4.398 6.876 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.186 5.131 -0.294 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.937 6.166 -1.288 1.00 0.00 C ATOM 1482 C ALA A 89 -9.958 6.064 -2.415 1.00 0.00 C ATOM 1483 O ALA A 89 -10.439 7.074 -2.935 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.524 6.040 -1.833 1.00 0.00 C ATOM 0 H ALA A 89 -8.460 4.417 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.038 7.143 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.349 6.819 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.809 6.149 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.399 5.062 -2.297 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.296 4.831 -2.772 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.297 4.570 -3.796 1.00 0.00 C ATOM 1492 C ARG A 90 -12.671 5.021 -3.312 1.00 0.00 C ATOM 1493 O ARG A 90 -13.411 5.690 -4.034 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.328 3.080 -4.145 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.216 2.748 -5.332 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.282 1.253 -5.574 1.00 0.00 C ATOM 1497 NE ARG A 90 -12.982 0.926 -6.813 1.00 0.00 N ATOM 1498 CZ ARG A 90 -13.414 -0.295 -7.124 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -13.293 -1.287 -6.250 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -13.983 -0.516 -8.303 1.00 0.00 N ATOM 0 H ARG A 90 -9.887 3.991 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.033 5.133 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.313 2.745 -4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.674 2.520 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.220 3.134 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.835 3.246 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.271 0.848 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.787 0.773 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.150 1.678 -7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.869 -1.115 -5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.624 -2.221 -6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.089 0.249 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.314 -1.451 -8.542 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.993 4.666 -2.072 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.262 5.045 -1.465 1.00 0.00 C ATOM 1516 C GLU A 91 -14.359 6.562 -1.314 1.00 0.00 C ATOM 1517 O GLU A 91 -15.453 7.129 -1.344 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.413 4.375 -0.098 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.321 2.860 -0.154 1.00 0.00 C ATOM 1520 CD GLU A 91 -14.242 2.240 1.222 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -13.374 2.658 2.012 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -15.035 1.320 1.523 1.00 0.00 O ATOM 0 H GLU A 91 -12.388 4.113 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.067 4.710 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.640 4.754 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.374 4.657 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.190 2.464 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.442 2.572 -0.731 1.00 0.00 H new ATOM 1529 N SER A 92 -13.207 7.204 -1.150 1.00 0.00 N ATOM 1530 CA SER A 92 -13.134 8.653 -1.001 1.00 0.00 C ATOM 1531 C SER A 92 -13.510 9.356 -2.306 1.00 0.00 C ATOM 1532 O SER A 92 -13.971 10.498 -2.296 1.00 0.00 O ATOM 1533 CB SER A 92 -11.723 9.058 -0.563 1.00 0.00 C ATOM 1534 OG SER A 92 -11.625 10.456 -0.352 1.00 0.00 O ATOM 0 H SER A 92 -12.301 6.737 -1.117 1.00 0.00 H new ATOM 0 HA SER A 92 -13.848 8.961 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.461 8.531 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.003 8.752 -1.323 1.00 0.00 H new ATOM 0 HG SER A 92 -10.713 10.681 -0.072 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.321 8.670 -3.428 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.683 9.243 -4.712 1.00 0.00 C ATOM 1542 C GLY A 93 -12.491 9.798 -5.468 1.00 0.00 C ATOM 1543 O GLY A 93 -12.635 10.310 -6.583 1.00 0.00 O ATOM 0 H GLY A 93 -12.925 7.731 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.170 8.480 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.411 10.039 -4.557 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.311 9.702 -4.868 1.00 0.00 N ATOM 1548 CA LEU A 94 -10.090 10.161 -5.519 1.00 0.00 C ATOM 1549 C LEU A 94 -9.503 9.038 -6.365 1.00 0.00 C ATOM 1550 O LEU A 94 -8.597 9.249 -7.169 1.00 0.00 O ATOM 1551 CB LEU A 94 -9.077 10.656 -4.477 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.549 9.607 -3.493 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.290 8.939 -4.029 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.282 10.242 -2.140 1.00 0.00 C ATOM 0 H LEU A 94 -11.173 9.312 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.328 10.999 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.227 11.089 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.540 11.460 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.312 8.837 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.937 8.199 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.514 8.448 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.517 9.692 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.907 9.485 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.540 11.033 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.207 10.664 -1.747 1.00 0.00 H new ATOM 1566 N LEU A 95 -10.035 7.844 -6.168 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.622 6.676 -6.918 1.00 0.00 C ATOM 1568 C LEU A 95 -10.863 5.895 -7.325 1.00 0.00 C ATOM 1569 O LEU A 95 -11.756 5.681 -6.512 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.686 5.806 -6.069 1.00 0.00 C ATOM 1571 CG LEU A 95 -8.055 4.615 -6.792 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -7.222 5.086 -7.976 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -7.201 3.806 -5.828 1.00 0.00 C ATOM 0 H LEU A 95 -10.767 7.659 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.077 6.980 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.887 6.437 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.245 5.433 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.854 3.977 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.782 4.224 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.858 5.627 -8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.429 5.745 -7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.758 2.961 -6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.410 4.438 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.823 3.438 -5.012 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.934 5.501 -8.585 1.00 0.00 N ATOM 1586 CA LEU A 96 -12.114 4.810 -9.095 1.00 0.00 C ATOM 1587 C LEU A 96 -11.898 3.300 -9.148 1.00 0.00 C ATOM 1588 O LEU A 96 -12.854 2.526 -9.205 1.00 0.00 O ATOM 1589 CB LEU A 96 -12.492 5.328 -10.495 1.00 0.00 C ATOM 1590 CG LEU A 96 -11.491 5.028 -11.624 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -12.150 5.241 -12.978 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -10.250 5.906 -11.507 1.00 0.00 C ATOM 0 H LEU A 96 -10.195 5.645 -9.273 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.932 5.018 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.456 4.900 -10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.628 6.408 -10.436 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.182 3.987 -11.533 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.432 5.026 -13.770 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.007 4.575 -13.074 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -12.483 6.275 -13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.561 5.672 -12.318 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.539 6.955 -11.568 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.761 5.720 -10.551 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.643 2.884 -9.109 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.305 1.478 -9.294 1.00 0.00 C ATOM 1606 C GLN A 97 -9.658 0.893 -8.046 1.00 0.00 C ATOM 1607 O GLN A 97 -9.161 1.626 -7.193 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.358 1.325 -10.487 1.00 0.00 C ATOM 1609 CG GLN A 97 -8.037 2.061 -10.308 1.00 0.00 C ATOM 1610 CD GLN A 97 -7.131 1.957 -11.520 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -7.164 0.975 -12.258 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -6.305 2.971 -11.726 1.00 0.00 N ATOM 0 H GLN A 97 -9.842 3.496 -8.952 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.229 0.931 -9.484 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.157 0.266 -10.648 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.853 1.695 -11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.238 3.112 -10.101 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.518 1.658 -9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.308 3.769 -11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.666 2.955 -12.521 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.678 -0.427 -7.946 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.985 -1.125 -6.873 1.00 0.00 C ATOM 1623 C ASN A 98 -7.955 -2.069 -7.476 1.00 0.00 C ATOM 1624 O ASN A 98 -8.274 -3.197 -7.856 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.978 -1.903 -5.999 1.00 0.00 C ATOM 1626 CG ASN A 98 -9.360 -2.458 -4.722 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -8.196 -2.866 -4.689 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -10.139 -2.467 -3.649 1.00 0.00 N ATOM 0 H ASN A 98 -10.169 -1.039 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.482 -0.395 -6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.809 -1.248 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.393 -2.727 -6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.780 -2.819 -2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.097 -2.122 -3.711 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.705 -1.610 -7.587 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.644 -2.374 -8.230 1.00 0.00 C ATOM 1637 C PRO A 99 -5.022 -3.409 -7.302 1.00 0.00 C ATOM 1638 O PRO A 99 -4.253 -4.262 -7.741 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.628 -1.298 -8.601 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.792 -0.243 -7.560 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.229 -0.299 -7.104 1.00 0.00 C ATOM 0 HA PRO A 99 -6.008 -2.952 -9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.613 -1.696 -8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.818 -0.902 -9.599 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.114 -0.416 -6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.553 0.740 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.307 -0.221 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.814 0.518 -7.526 1.00 0.00 H new ATOM 1649 N THR A 100 -5.369 -3.341 -6.020 1.00 0.00 N ATOM 1650 CA THR A 100 -4.806 -4.246 -5.033 1.00 0.00 C ATOM 1651 C THR A 100 -5.343 -5.660 -5.230 1.00 0.00 C ATOM 1652 O THR A 100 -4.683 -6.641 -4.893 1.00 0.00 O ATOM 1653 CB THR A 100 -5.127 -3.780 -3.604 1.00 0.00 C ATOM 1654 OG1 THR A 100 -5.130 -2.348 -3.545 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.100 -4.326 -2.624 1.00 0.00 C ATOM 0 H THR A 100 -6.037 -2.668 -5.644 1.00 0.00 H new ATOM 0 HA THR A 100 -3.725 -4.245 -5.171 1.00 0.00 H new ATOM 0 HB THR A 100 -6.113 -4.157 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.304 -2.002 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.342 -3.987 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.113 -5.416 -2.653 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.108 -3.968 -2.899 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.548 -5.759 -5.780 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.155 -7.057 -6.044 1.00 0.00 C ATOM 1665 C GLU A 101 -6.499 -7.717 -7.248 1.00 0.00 C ATOM 1666 O GLU A 101 -6.471 -8.941 -7.358 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.654 -6.917 -6.290 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.406 -6.266 -5.146 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.899 -6.296 -5.362 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -11.365 -5.735 -6.371 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -11.611 -6.886 -4.528 1.00 0.00 O ATOM 0 H GLU A 101 -7.121 -4.960 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.001 -7.683 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.810 -6.330 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.076 -7.905 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.164 -6.778 -4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.076 -5.233 -5.036 1.00 0.00 H new ATOM 1678 N ALA A 102 -5.965 -6.895 -8.139 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.300 -7.391 -9.335 1.00 0.00 C ATOM 1680 C ALA A 102 -3.836 -7.716 -9.046 1.00 0.00 C ATOM 1681 O ALA A 102 -3.080 -8.096 -9.941 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.416 -6.376 -10.460 1.00 0.00 C ATOM 0 H ALA A 102 -5.979 -5.878 -8.056 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.792 -8.312 -9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.915 -6.759 -11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.468 -6.200 -10.684 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.949 -5.440 -10.155 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.443 -7.559 -7.790 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.100 -7.906 -7.363 1.00 0.00 C ATOM 1690 C ALA A 103 -2.058 -9.365 -6.945 1.00 0.00 C ATOM 1691 O ALA A 103 -2.600 -9.744 -5.905 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.649 -7.004 -6.224 1.00 0.00 C ATOM 0 H ALA A 103 -4.039 -7.192 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.413 -7.759 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.640 -7.281 -5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.656 -5.966 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.328 -7.118 -5.379 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.429 -10.179 -7.775 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.386 -11.614 -7.554 1.00 0.00 C ATOM 1700 C LYS A 104 -0.094 -12.025 -6.852 1.00 0.00 C ATOM 1701 O LYS A 104 0.959 -11.424 -7.075 1.00 0.00 O ATOM 1702 CB LYS A 104 -1.528 -12.350 -8.889 1.00 0.00 C ATOM 1703 CG LYS A 104 -0.475 -11.965 -9.916 1.00 0.00 C ATOM 1704 CD LYS A 104 -0.781 -12.556 -11.280 1.00 0.00 C ATOM 1705 CE LYS A 104 0.290 -12.189 -12.296 1.00 0.00 C ATOM 1706 NZ LYS A 104 -0.080 -12.614 -13.670 1.00 0.00 N ATOM 0 H LYS A 104 -0.938 -9.868 -8.613 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.218 -11.888 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.472 -13.424 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.516 -12.147 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.422 -10.879 -9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.503 -12.309 -9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.853 -13.641 -11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.751 -12.197 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.451 -11.111 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.233 -12.656 -12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.676 -12.345 -14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.209 -13.646 -13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.967 -12.149 -13.950 1.00 0.00 H new ATOM 1720 N PRO A 105 -0.174 -13.043 -5.970 1.00 0.00 N ATOM 1721 CA PRO A 105 0.997 -13.594 -5.269 1.00 0.00 C ATOM 1722 C PRO A 105 2.157 -13.999 -6.201 1.00 0.00 C ATOM 1723 O PRO A 105 3.311 -13.690 -5.898 1.00 0.00 O ATOM 1724 CB PRO A 105 0.435 -14.812 -4.532 1.00 0.00 C ATOM 1725 CG PRO A 105 -1.014 -14.513 -4.354 1.00 0.00 C ATOM 1726 CD PRO A 105 -1.425 -13.714 -5.559 1.00 0.00 C ATOM 0 HA PRO A 105 1.446 -12.847 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.583 -15.726 -5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.930 -14.957 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.595 -15.432 -4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.186 -13.951 -3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.816 -14.353 -6.350 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.206 -12.994 -5.316 1.00 0.00 H new ATOM 1734 N PRO A 106 1.902 -14.718 -7.326 1.00 0.00 N ATOM 1735 CA PRO A 106 2.955 -15.024 -8.304 1.00 0.00 C ATOM 1736 C PRO A 106 3.597 -13.759 -8.870 1.00 0.00 C ATOM 1737 O PRO A 106 2.918 -12.915 -9.462 1.00 0.00 O ATOM 1738 CB PRO A 106 2.224 -15.794 -9.414 1.00 0.00 C ATOM 1739 CG PRO A 106 0.775 -15.520 -9.199 1.00 0.00 C ATOM 1740 CD PRO A 106 0.612 -15.315 -7.724 1.00 0.00 C ATOM 0 HA PRO A 106 3.770 -15.589 -7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.545 -15.460 -10.401 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.435 -16.862 -9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.458 -14.637 -9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.164 -16.352 -9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.225 -14.654 -7.499 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.425 -16.255 -7.204 1.00 0.00 H new ATOM 1748 N ARG A 107 4.907 -13.633 -8.694 1.00 0.00 N ATOM 1749 CA ARG A 107 5.614 -12.436 -9.129 1.00 0.00 C ATOM 1750 C ARG A 107 5.861 -12.475 -10.630 1.00 0.00 C ATOM 1751 O ARG A 107 6.839 -13.059 -11.099 1.00 0.00 O ATOM 1752 CB ARG A 107 6.947 -12.250 -8.389 1.00 0.00 C ATOM 1753 CG ARG A 107 6.814 -11.757 -6.954 1.00 0.00 C ATOM 1754 CD ARG A 107 6.289 -12.839 -6.033 1.00 0.00 C ATOM 1755 NE ARG A 107 7.169 -14.008 -6.006 1.00 0.00 N ATOM 1756 CZ ARG A 107 6.747 -15.250 -5.794 1.00 0.00 C ATOM 1757 NH1 ARG A 107 5.453 -15.496 -5.613 1.00 0.00 N ATOM 1758 NH2 ARG A 107 7.622 -16.244 -5.772 1.00 0.00 N ATOM 0 H ARG A 107 5.497 -14.340 -8.256 1.00 0.00 H new ATOM 0 HA ARG A 107 4.976 -11.586 -8.888 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.480 -13.201 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.561 -11.543 -8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 107 7.785 -11.415 -6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.143 -10.898 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 107 6.186 -12.439 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.294 -13.141 -6.359 1.00 0.00 H new ATOM 0 HE ARG A 107 8.167 -13.860 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.780 -14.730 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.133 -16.451 -5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.614 -16.054 -5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.304 -17.200 -5.610 1.00 0.00 H new ATOM 1772 N HIS A 108 4.945 -11.885 -11.376 1.00 0.00 N ATOM 1773 CA HIS A 108 5.098 -11.726 -12.814 1.00 0.00 C ATOM 1774 C HIS A 108 4.119 -10.671 -13.308 1.00 0.00 C ATOM 1775 O HIS A 108 2.946 -10.962 -13.530 1.00 0.00 O ATOM 1776 CB HIS A 108 4.861 -13.049 -13.551 1.00 0.00 C ATOM 1777 CG HIS A 108 5.193 -12.984 -15.012 1.00 0.00 C ATOM 1778 ND1 HIS A 108 4.240 -12.826 -15.993 1.00 0.00 N ATOM 1779 CD2 HIS A 108 6.384 -13.054 -15.656 1.00 0.00 C ATOM 1780 CE1 HIS A 108 4.827 -12.801 -17.174 1.00 0.00 C ATOM 1781 NE2 HIS A 108 6.127 -12.935 -16.999 1.00 0.00 N ATOM 0 H HIS A 108 4.075 -11.503 -11.005 1.00 0.00 H new ATOM 0 HA HIS A 108 6.120 -11.410 -13.021 1.00 0.00 H new ATOM 0 HB2 HIS A 108 5.462 -13.829 -13.084 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.817 -13.339 -13.436 1.00 0.00 H new ATOM 0 HD2 HIS A 108 7.354 -13.180 -15.198 1.00 0.00 H new ATOM 0 HE1 HIS A 108 4.327 -12.689 -18.125 1.00 0.00 H new ATOM 0 HE2 HIS A 108 6.827 -12.948 -17.741 1.00 0.00 H new ATOM 1790 N PRO A 109 4.582 -9.427 -13.448 1.00 0.00 N ATOM 1791 CA PRO A 109 3.741 -8.317 -13.870 1.00 0.00 C ATOM 1792 C PRO A 109 3.671 -8.191 -15.383 1.00 0.00 C ATOM 1793 O PRO A 109 4.215 -9.022 -16.118 1.00 0.00 O ATOM 1794 CB PRO A 109 4.470 -7.116 -13.283 1.00 0.00 C ATOM 1795 CG PRO A 109 5.913 -7.491 -13.367 1.00 0.00 C ATOM 1796 CD PRO A 109 5.973 -8.993 -13.213 1.00 0.00 C ATOM 0 HA PRO A 109 2.707 -8.428 -13.543 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.261 -6.207 -13.847 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.166 -6.929 -12.253 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.340 -7.181 -14.321 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.489 -6.997 -12.584 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.659 -9.442 -13.932 1.00 0.00 H new ATOM 0 HD3 PRO A 109 6.319 -9.280 -12.220 1.00 0.00 H new ATOM 1804 N LEU A 110 3.009 -7.142 -15.844 1.00 0.00 N ATOM 1805 CA LEU A 110 2.946 -6.844 -17.264 1.00 0.00 C ATOM 1806 C LEU A 110 4.177 -6.039 -17.659 1.00 0.00 C ATOM 1807 O LEU A 110 4.097 -4.830 -17.891 1.00 0.00 O ATOM 1808 CB LEU A 110 1.665 -6.066 -17.619 1.00 0.00 C ATOM 1809 CG LEU A 110 0.336 -6.756 -17.277 1.00 0.00 C ATOM 1810 CD1 LEU A 110 0.383 -8.228 -17.649 1.00 0.00 C ATOM 1811 CD2 LEU A 110 -0.013 -6.579 -15.805 1.00 0.00 C ATOM 0 H LEU A 110 2.506 -6.481 -15.252 1.00 0.00 H new ATOM 0 HA LEU A 110 2.923 -7.783 -17.817 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.694 -5.105 -17.105 1.00 0.00 H new ATOM 0 HB3 LEU A 110 1.677 -5.856 -18.689 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.450 -6.281 -17.864 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.568 -8.697 -17.398 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.566 -8.327 -18.719 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.186 -8.717 -17.097 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.959 -7.078 -15.593 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.774 -7.015 -15.190 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.104 -5.517 -15.578 1.00 0.00 H new ATOM 1823 N GLU A 111 5.322 -6.708 -17.685 1.00 0.00 N ATOM 1824 CA GLU A 111 6.585 -6.055 -17.994 1.00 0.00 C ATOM 1825 C GLU A 111 6.598 -5.551 -19.430 1.00 0.00 C ATOM 1826 O GLU A 111 6.219 -6.269 -20.359 1.00 0.00 O ATOM 1827 CB GLU A 111 7.760 -7.002 -17.742 1.00 0.00 C ATOM 1828 CG GLU A 111 7.564 -8.401 -18.296 1.00 0.00 C ATOM 1829 CD GLU A 111 8.780 -9.279 -18.087 1.00 0.00 C ATOM 1830 OE1 GLU A 111 9.248 -9.393 -16.935 1.00 0.00 O ATOM 1831 OE2 GLU A 111 9.264 -9.868 -19.074 1.00 0.00 O ATOM 0 H GLU A 111 5.401 -7.707 -17.495 1.00 0.00 H new ATOM 0 HA GLU A 111 6.692 -5.195 -17.333 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.659 -6.572 -18.183 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.933 -7.070 -16.668 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.700 -8.861 -17.817 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.342 -8.339 -19.361 1.00 0.00 H new ATOM 1838 N HIS A 112 7.014 -4.305 -19.598 1.00 0.00 N ATOM 1839 CA HIS A 112 7.038 -3.677 -20.911 1.00 0.00 C ATOM 1840 C HIS A 112 8.164 -2.655 -21.009 1.00 0.00 C ATOM 1841 O HIS A 112 8.153 -1.634 -20.326 1.00 0.00 O ATOM 1842 CB HIS A 112 5.685 -3.023 -21.239 1.00 0.00 C ATOM 1843 CG HIS A 112 5.173 -2.058 -20.204 1.00 0.00 C ATOM 1844 ND1 HIS A 112 4.471 -2.453 -19.086 1.00 0.00 N ATOM 1845 CD2 HIS A 112 5.248 -0.706 -20.136 1.00 0.00 C ATOM 1846 CE1 HIS A 112 4.136 -1.390 -18.379 1.00 0.00 C ATOM 1847 NE2 HIS A 112 4.595 -0.317 -18.993 1.00 0.00 N ATOM 0 H HIS A 112 7.341 -3.707 -18.839 1.00 0.00 H new ATOM 0 HA HIS A 112 7.223 -4.460 -21.647 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.774 -2.498 -22.190 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.943 -3.810 -21.378 1.00 0.00 H new ATOM 0 HD1 HIS A 112 4.245 -3.417 -18.843 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.732 -0.055 -20.849 1.00 0.00 H new ATOM 0 HE1 HIS A 112 3.580 -1.398 -17.453 1.00 0.00 H new ATOM 1856 N HIS A 113 9.140 -2.956 -21.849 1.00 0.00 N ATOM 1857 CA HIS A 113 10.245 -2.045 -22.112 1.00 0.00 C ATOM 1858 C HIS A 113 9.777 -0.923 -23.038 1.00 0.00 C ATOM 1859 O HIS A 113 9.872 -1.036 -24.262 1.00 0.00 O ATOM 1860 CB HIS A 113 11.425 -2.817 -22.720 1.00 0.00 C ATOM 1861 CG HIS A 113 12.637 -1.983 -23.011 1.00 0.00 C ATOM 1862 ND1 HIS A 113 13.165 -1.851 -24.275 1.00 0.00 N ATOM 1863 CD2 HIS A 113 13.439 -1.259 -22.195 1.00 0.00 C ATOM 1864 CE1 HIS A 113 14.238 -1.087 -24.229 1.00 0.00 C ATOM 1865 NE2 HIS A 113 14.427 -0.712 -22.979 1.00 0.00 N ATOM 0 H HIS A 113 9.190 -3.834 -22.366 1.00 0.00 H new ATOM 0 HA HIS A 113 10.583 -1.597 -21.178 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.708 -3.618 -22.037 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.095 -3.289 -23.645 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.324 -1.135 -21.128 1.00 0.00 H new ATOM 0 HE1 HIS A 113 14.857 -0.815 -25.071 1.00 0.00 H new ATOM 0 HE2 HIS A 113 15.183 -0.113 -22.648 1.00 0.00 H new ATOM 1874 N HIS A 114 9.245 0.136 -22.429 1.00 0.00 N ATOM 1875 CA HIS A 114 8.630 1.256 -23.145 1.00 0.00 C ATOM 1876 C HIS A 114 7.607 0.763 -24.166 1.00 0.00 C ATOM 1877 O HIS A 114 7.931 0.525 -25.331 1.00 0.00 O ATOM 1878 CB HIS A 114 9.681 2.137 -23.829 1.00 0.00 C ATOM 1879 CG HIS A 114 9.116 3.421 -24.352 1.00 0.00 C ATOM 1880 ND1 HIS A 114 9.032 3.725 -25.692 1.00 0.00 N ATOM 1881 CD2 HIS A 114 8.590 4.480 -23.695 1.00 0.00 C ATOM 1882 CE1 HIS A 114 8.476 4.912 -25.837 1.00 0.00 C ATOM 1883 NE2 HIS A 114 8.200 5.392 -24.641 1.00 0.00 N ATOM 0 H HIS A 114 9.228 0.243 -21.415 1.00 0.00 H new ATOM 0 HA HIS A 114 8.113 1.864 -22.402 1.00 0.00 H new ATOM 0 HB2 HIS A 114 10.478 2.359 -23.120 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.132 1.583 -24.652 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.495 4.587 -22.625 1.00 0.00 H new ATOM 0 HE1 HIS A 114 8.280 5.407 -26.777 1.00 0.00 H new ATOM 0 HE2 HIS A 114 7.767 6.295 -24.450 1.00 0.00 H new ATOM 1892 N HIS A 115 6.377 0.597 -23.717 1.00 0.00 N ATOM 1893 CA HIS A 115 5.314 0.090 -24.574 1.00 0.00 C ATOM 1894 C HIS A 115 4.859 1.160 -25.564 1.00 0.00 C ATOM 1895 O HIS A 115 4.625 2.306 -25.177 1.00 0.00 O ATOM 1896 CB HIS A 115 4.135 -0.393 -23.718 1.00 0.00 C ATOM 1897 CG HIS A 115 2.933 -0.820 -24.505 1.00 0.00 C ATOM 1898 ND1 HIS A 115 1.682 -0.293 -24.295 1.00 0.00 N ATOM 1899 CD2 HIS A 115 2.794 -1.729 -25.500 1.00 0.00 C ATOM 1900 CE1 HIS A 115 0.824 -0.853 -25.122 1.00 0.00 C ATOM 1901 NE2 HIS A 115 1.472 -1.729 -25.866 1.00 0.00 N ATOM 0 H HIS A 115 6.086 0.806 -22.762 1.00 0.00 H new ATOM 0 HA HIS A 115 5.700 -0.754 -25.146 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.467 -1.229 -23.103 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.843 0.407 -23.038 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.577 -2.339 -25.925 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.232 -0.633 -25.181 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.058 -2.311 -26.594 1.00 0.00 H new ATOM 1910 N HIS A 116 4.754 0.761 -26.836 1.00 0.00 N ATOM 1911 CA HIS A 116 4.274 1.628 -27.920 1.00 0.00 C ATOM 1912 C HIS A 116 5.326 2.642 -28.355 1.00 0.00 C ATOM 1913 O HIS A 116 6.129 3.117 -27.551 1.00 0.00 O ATOM 1914 CB HIS A 116 2.985 2.362 -27.532 1.00 0.00 C ATOM 1915 CG HIS A 116 1.780 1.904 -28.288 1.00 0.00 C ATOM 1916 ND1 HIS A 116 0.533 1.793 -27.715 1.00 0.00 N ATOM 1917 CD2 HIS A 116 1.626 1.553 -29.586 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -0.333 1.390 -28.626 1.00 0.00 C ATOM 1919 NE2 HIS A 116 0.304 1.238 -29.771 1.00 0.00 N ATOM 0 H HIS A 116 5.001 -0.179 -27.145 1.00 0.00 H new ATOM 0 HA HIS A 116 4.064 0.968 -28.762 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.807 2.225 -26.465 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.122 3.431 -27.698 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.401 1.526 -30.338 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.386 1.214 -28.462 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -0.117 0.936 -30.649 1.00 0.00 H new ATOM 1928 N HIS A 117 5.327 2.946 -29.643 1.00 0.00 N ATOM 1929 CA HIS A 117 6.187 3.979 -30.195 1.00 0.00 C ATOM 1930 C HIS A 117 5.347 4.980 -30.979 1.00 0.00 C ATOM 1931 O HIS A 117 4.956 6.010 -30.402 1.00 0.00 O ATOM 1932 CB HIS A 117 7.260 3.357 -31.095 1.00 0.00 C ATOM 1933 CG HIS A 117 8.142 4.361 -31.770 1.00 0.00 C ATOM 1934 ND1 HIS A 117 8.098 4.609 -33.124 1.00 0.00 N ATOM 1935 CD2 HIS A 117 9.096 5.180 -31.270 1.00 0.00 C ATOM 1936 CE1 HIS A 117 8.986 5.536 -33.429 1.00 0.00 C ATOM 1937 NE2 HIS A 117 9.604 5.899 -32.321 1.00 0.00 N ATOM 1938 OXT HIS A 117 5.045 4.711 -32.158 1.00 0.00 O ATOM 0 H HIS A 117 4.734 2.485 -30.333 1.00 0.00 H new ATOM 0 HA HIS A 117 6.688 4.499 -29.379 1.00 0.00 H new ATOM 0 HB2 HIS A 117 7.879 2.688 -30.497 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.773 2.746 -31.855 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.400 5.254 -30.236 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.175 5.930 -34.417 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.341 6.601 -32.257 1.00 0.00 H new TER 1947 HIS A 117