USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 872 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 104 HIS : no HD1:sc= -1.05 X(o=-2.9,f=-2.7) USER MOD Set 1.2: A 105 HIS : no HD1:sc= -1.88 X(o=-2.9,f=-2.9) USER MOD Set 2.1: A 82 GLN :FLIP amide:sc= -1.6 F(o=-4.3!,f=-2) USER MOD Set 2.2: A 84 GLN : amide:sc= -0.359 K(o=-2,f=-3.8!) USER MOD Set 3.1: A 4 GLN : amide:sc= -3.49! C(o=-4.2!,f=-4.4!) USER MOD Set 3.2: A 6 THR OG1 : rot -150:sc= -0.7 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.137) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.34 K(o=-1.3,f=-5.7!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 19 ASN : amide:sc= -0.0395 K(o=-0.04,f=-5.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= 1.01 (180deg=-0.176) USER MOD Single : A 26 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.74) USER MOD Single : A 30 ASN : amide:sc= -3.59! X(o=-3.6!,f=-3.9) USER MOD Single : A 31 THR OG1 : rot -61:sc= 1.02 USER MOD Single : A 32 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-3.6!) USER MOD Single : A 34 SER OG : rot -33:sc= 1.05 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.65 F(o=-2.2!,f=-1.6) USER MOD Single : A 45 THR OG1 : rot -89:sc= -0.626 USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= -6.14! (180deg=-11.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.31) USER MOD Single : A 63 GLN : amide:sc= -7.93! C(o=-7.9!,f=-10!) USER MOD Single : A 66 SER OG : rot -150:sc= -0.375 USER MOD Single : A 67 TYR OH : rot 80:sc= 0.129 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.0492 F(o=-1.5!,f=-0.049) USER MOD Single : A 86 ASN : amide:sc= -0.385 K(o=-0.39,f=-2.2!) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.0688 (180deg=-0.521) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0224 F(o=-0.72,f=-0.022) USER MOD Single : A 89 SER OG : rot -46:sc= 0.421 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-6.1!) USER MOD Single : A 107 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-0.97) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.744 7.971 -9.797 1.00 0.00 N ATOM 2 CA MET A 1 -16.237 7.124 -10.915 1.00 0.00 C ATOM 3 C MET A 1 -14.746 6.861 -10.717 1.00 0.00 C ATOM 4 O MET A 1 -14.249 5.789 -11.001 1.00 0.00 O ATOM 5 CB MET A 1 -16.444 7.858 -12.242 1.00 0.00 C ATOM 6 CG MET A 1 -16.031 6.948 -13.402 1.00 0.00 C ATOM 7 SD MET A 1 -16.336 7.803 -14.969 1.00 0.00 S ATOM 8 CE MET A 1 -15.820 6.464 -16.071 1.00 0.00 C ATOM 0 H1 MET A 1 -17.783 7.997 -9.825 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.432 7.571 -8.889 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.371 8.937 -9.896 1.00 0.00 H new ATOM 0 HA MET A 1 -16.779 6.178 -10.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.489 8.149 -12.349 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.855 8.775 -12.258 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.976 6.686 -13.316 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.595 6.016 -13.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.929 6.783 -17.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.777 6.214 -15.876 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.443 5.587 -15.894 1.00 0.00 H new ATOM 20 N GLU A 2 -14.025 7.834 -10.239 1.00 0.00 N ATOM 21 CA GLU A 2 -12.565 7.646 -10.034 1.00 0.00 C ATOM 22 C GLU A 2 -12.336 6.683 -8.855 1.00 0.00 C ATOM 23 O GLU A 2 -13.200 6.512 -8.019 1.00 0.00 O ATOM 24 CB GLU A 2 -11.923 9.014 -9.735 1.00 0.00 C ATOM 25 CG GLU A 2 -11.520 9.699 -11.046 1.00 0.00 C ATOM 26 CD GLU A 2 -12.742 9.811 -11.961 1.00 0.00 C ATOM 27 OE1 GLU A 2 -13.782 10.229 -11.479 1.00 0.00 O ATOM 28 OE2 GLU A 2 -12.617 9.474 -13.126 1.00 0.00 O ATOM 0 H GLU A 2 -14.385 8.753 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.111 7.222 -10.930 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.625 9.643 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.048 8.883 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.114 10.690 -10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.734 9.128 -11.540 1.00 0.00 H new ATOM 35 N PRO A 3 -11.178 6.059 -8.775 1.00 0.00 N ATOM 36 CA PRO A 3 -10.861 5.116 -7.658 1.00 0.00 C ATOM 37 C PRO A 3 -11.132 5.729 -6.277 1.00 0.00 C ATOM 38 O PRO A 3 -10.925 6.904 -6.055 1.00 0.00 O ATOM 39 CB PRO A 3 -9.356 4.838 -7.824 1.00 0.00 C ATOM 40 CG PRO A 3 -9.061 5.096 -9.265 1.00 0.00 C ATOM 41 CD PRO A 3 -10.058 6.163 -9.734 1.00 0.00 C ATOM 0 HA PRO A 3 -11.482 4.221 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.763 5.487 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.114 3.811 -7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.035 5.441 -9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.167 4.183 -9.851 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.613 7.158 -9.720 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.390 5.977 -10.755 1.00 0.00 H new ATOM 49 N GLN A 4 -11.587 4.929 -5.352 1.00 0.00 N ATOM 50 CA GLN A 4 -11.870 5.446 -3.983 1.00 0.00 C ATOM 51 C GLN A 4 -10.544 5.650 -3.239 1.00 0.00 C ATOM 52 O GLN A 4 -10.211 4.925 -2.320 1.00 0.00 O ATOM 53 CB GLN A 4 -12.741 4.427 -3.233 1.00 0.00 C ATOM 54 CG GLN A 4 -13.486 5.113 -2.084 1.00 0.00 C ATOM 55 CD GLN A 4 -12.480 5.588 -1.035 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.759 4.793 -0.465 1.00 0.00 O ATOM 57 NE2 GLN A 4 -12.393 6.860 -0.761 1.00 0.00 N ATOM 0 H GLN A 4 -11.776 3.936 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.398 6.397 -4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.455 3.973 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.118 3.622 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.060 5.959 -2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.198 4.421 -1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.998 7.527 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.720 7.188 -0.068 1.00 0.00 H new ATOM 66 N LEU A 5 -9.782 6.628 -3.641 1.00 0.00 N ATOM 67 CA LEU A 5 -8.474 6.884 -2.976 1.00 0.00 C ATOM 68 C LEU A 5 -8.708 7.443 -1.570 1.00 0.00 C ATOM 69 O LEU A 5 -9.632 8.196 -1.335 1.00 0.00 O ATOM 70 CB LEU A 5 -7.686 7.901 -3.804 1.00 0.00 C ATOM 71 CG LEU A 5 -7.553 7.396 -5.245 1.00 0.00 C ATOM 72 CD1 LEU A 5 -6.797 8.438 -6.075 1.00 0.00 C ATOM 73 CD2 LEU A 5 -6.791 6.060 -5.268 1.00 0.00 C ATOM 0 H LEU A 5 -10.010 7.264 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.914 5.952 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.192 8.866 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.698 8.053 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.546 7.241 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.699 8.084 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.347 9.379 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.806 8.593 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.702 5.710 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.796 6.201 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.334 5.321 -4.679 1.00 0.00 H new ATOM 85 N THR A 6 -7.864 7.076 -0.638 1.00 0.00 N ATOM 86 CA THR A 6 -8.000 7.568 0.769 1.00 0.00 C ATOM 87 C THR A 6 -6.686 8.226 1.194 1.00 0.00 C ATOM 88 O THR A 6 -5.614 7.698 0.973 1.00 0.00 O ATOM 89 CB THR A 6 -8.311 6.389 1.691 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.567 5.836 1.329 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.361 6.863 3.144 1.00 0.00 C ATOM 0 H THR A 6 -7.076 6.448 -0.794 1.00 0.00 H new ATOM 0 HA THR A 6 -8.810 8.295 0.833 1.00 0.00 H new ATOM 0 HB THR A 6 -7.531 5.634 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.994 5.448 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.583 6.018 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.397 7.291 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.138 7.619 3.253 1.00 0.00 H new ATOM 99 N LYS A 7 -6.761 9.385 1.782 1.00 0.00 N ATOM 100 CA LYS A 7 -5.522 10.096 2.201 1.00 0.00 C ATOM 101 C LYS A 7 -4.940 9.462 3.464 1.00 0.00 C ATOM 102 O LYS A 7 -5.643 8.894 4.274 1.00 0.00 O ATOM 103 CB LYS A 7 -5.856 11.558 2.477 1.00 0.00 C ATOM 104 CG LYS A 7 -6.267 12.237 1.168 1.00 0.00 C ATOM 105 CD LYS A 7 -6.742 13.669 1.448 1.00 0.00 C ATOM 106 CE LYS A 7 -5.540 14.590 1.686 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.007 16.003 1.717 1.00 0.00 N ATOM 0 H LYS A 7 -7.631 9.874 1.992 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.784 10.023 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.664 11.627 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.993 12.065 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.425 12.253 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.063 11.668 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.329 14.036 0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.395 13.679 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.051 14.335 2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.801 14.456 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.196 16.633 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.455 16.241 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.697 16.124 2.486 1.00 0.00 H new ATOM 121 N ILE A 8 -3.649 9.564 3.633 1.00 0.00 N ATOM 122 CA ILE A 8 -2.995 8.976 4.836 1.00 0.00 C ATOM 123 C ILE A 8 -3.520 9.676 6.093 1.00 0.00 C ATOM 124 O ILE A 8 -3.816 9.050 7.090 1.00 0.00 O ATOM 125 CB ILE A 8 -1.481 9.190 4.733 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.932 8.358 3.572 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.805 8.757 6.036 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.511 8.776 3.283 1.00 0.00 C ATOM 0 H ILE A 8 -3.016 10.033 2.985 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.217 7.910 4.894 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.276 10.246 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.972 7.297 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.548 8.501 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.271 8.912 5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.196 9.349 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.007 7.701 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.903 8.184 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.537 9.833 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.123 8.610 4.170 1.00 0.00 H new ATOM 140 N VAL A 9 -3.632 10.972 6.049 1.00 0.00 N ATOM 141 CA VAL A 9 -4.131 11.727 7.234 1.00 0.00 C ATOM 142 C VAL A 9 -5.578 11.320 7.533 1.00 0.00 C ATOM 143 O VAL A 9 -6.052 11.446 8.643 1.00 0.00 O ATOM 144 CB VAL A 9 -4.066 13.229 6.937 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.081 13.590 5.847 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.374 14.020 8.211 1.00 0.00 C ATOM 0 H VAL A 9 -3.398 11.546 5.239 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.511 11.499 8.101 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.064 13.481 6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.029 14.659 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.852 13.034 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.085 13.334 6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.327 15.088 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.373 13.765 8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.642 13.772 8.979 1.00 0.00 H new ATOM 156 N ASP A 10 -6.289 10.840 6.548 1.00 0.00 N ATOM 157 CA ASP A 10 -7.705 10.432 6.783 1.00 0.00 C ATOM 158 C ASP A 10 -7.744 9.051 7.437 1.00 0.00 C ATOM 159 O ASP A 10 -8.795 8.545 7.779 1.00 0.00 O ATOM 160 CB ASP A 10 -8.453 10.376 5.450 1.00 0.00 C ATOM 161 CG ASP A 10 -8.634 11.793 4.904 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.454 12.727 5.668 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.949 11.920 3.733 1.00 0.00 O ATOM 0 H ASP A 10 -5.952 10.713 5.594 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.180 11.161 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.898 9.768 4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.425 9.901 5.586 1.00 0.00 H new ATOM 168 N ILE A 11 -6.610 8.427 7.613 1.00 0.00 N ATOM 169 CA ILE A 11 -6.605 7.076 8.241 1.00 0.00 C ATOM 170 C ILE A 11 -6.701 7.211 9.759 1.00 0.00 C ATOM 171 O ILE A 11 -5.844 7.788 10.401 1.00 0.00 O ATOM 172 CB ILE A 11 -5.314 6.340 7.885 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.267 6.101 6.375 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.274 4.996 8.620 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.891 5.561 5.979 1.00 0.00 C ATOM 0 H ILE A 11 -5.694 8.792 7.351 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.460 6.512 7.868 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.455 6.941 8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.043 5.393 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.470 7.031 5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.353 4.470 8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.309 5.168 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.131 4.392 8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.862 5.392 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.123 6.285 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.706 4.621 6.499 1.00 0.00 H new ATOM 187 N VAL A 12 -7.734 6.668 10.334 1.00 0.00 N ATOM 188 CA VAL A 12 -7.901 6.738 11.812 1.00 0.00 C ATOM 189 C VAL A 12 -8.696 5.516 12.281 1.00 0.00 C ATOM 190 O VAL A 12 -9.159 5.463 13.403 1.00 0.00 O ATOM 191 CB VAL A 12 -8.656 8.016 12.186 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.770 9.237 11.926 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.925 8.121 11.340 1.00 0.00 C ATOM 0 H VAL A 12 -8.477 6.174 9.840 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.923 6.749 12.292 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.920 7.982 13.243 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.312 10.144 12.194 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.865 9.164 12.528 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.501 9.273 10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.464 9.030 11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.657 8.152 10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.560 7.255 11.527 1.00 0.00 H new ATOM 203 N GLU A 13 -8.863 4.532 11.428 1.00 0.00 N ATOM 204 CA GLU A 13 -9.634 3.311 11.824 1.00 0.00 C ATOM 205 C GLU A 13 -8.936 2.062 11.277 1.00 0.00 C ATOM 206 O GLU A 13 -8.444 2.046 10.165 1.00 0.00 O ATOM 207 CB GLU A 13 -11.052 3.405 11.247 1.00 0.00 C ATOM 208 CG GLU A 13 -11.907 2.251 11.779 1.00 0.00 C ATOM 209 CD GLU A 13 -12.158 2.451 13.276 1.00 0.00 C ATOM 210 OE1 GLU A 13 -11.840 3.520 13.773 1.00 0.00 O ATOM 211 OE2 GLU A 13 -12.673 1.537 13.897 1.00 0.00 O ATOM 0 H GLU A 13 -8.499 4.522 10.475 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.684 3.244 12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.503 4.359 11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.014 3.370 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.855 2.209 11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.402 1.301 11.608 1.00 0.00 H new ATOM 218 N ASN A 14 -8.892 1.013 12.055 1.00 0.00 N ATOM 219 CA ASN A 14 -8.231 -0.247 11.601 1.00 0.00 C ATOM 220 C ASN A 14 -9.231 -1.110 10.828 1.00 0.00 C ATOM 221 O ASN A 14 -10.427 -1.015 11.020 1.00 0.00 O ATOM 222 CB ASN A 14 -7.732 -1.020 12.823 1.00 0.00 C ATOM 223 CG ASN A 14 -8.928 -1.455 13.672 1.00 0.00 C ATOM 224 OD1 ASN A 14 -10.029 -0.975 13.484 1.00 0.00 O ATOM 225 ND2 ASN A 14 -8.758 -2.349 14.607 1.00 0.00 N ATOM 0 H ASN A 14 -9.289 0.974 12.994 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.392 -0.001 10.950 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.160 -1.892 12.507 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.061 -0.396 13.413 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.549 -2.645 15.180 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.835 -2.752 14.765 1.00 0.00 H new ATOM 232 N GLY A 15 -8.751 -1.955 9.959 1.00 0.00 N ATOM 233 CA GLY A 15 -9.675 -2.830 9.181 1.00 0.00 C ATOM 234 C GLY A 15 -10.377 -2.000 8.108 1.00 0.00 C ATOM 235 O GLY A 15 -11.232 -2.483 7.393 1.00 0.00 O ATOM 0 H GLY A 15 -7.760 -2.078 9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.118 -3.646 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.411 -3.282 9.846 1.00 0.00 H new ATOM 239 N GLN A 16 -10.026 -0.751 7.990 1.00 0.00 N ATOM 240 CA GLN A 16 -10.677 0.105 6.963 1.00 0.00 C ATOM 241 C GLN A 16 -10.204 -0.312 5.570 1.00 0.00 C ATOM 242 O GLN A 16 -9.022 -0.423 5.307 1.00 0.00 O ATOM 243 CB GLN A 16 -10.318 1.568 7.221 1.00 0.00 C ATOM 244 CG GLN A 16 -10.944 2.450 6.141 1.00 0.00 C ATOM 245 CD GLN A 16 -10.847 3.916 6.567 1.00 0.00 C ATOM 246 OE1 GLN A 16 -11.358 4.293 7.601 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.193 4.760 5.820 1.00 0.00 N ATOM 0 H GLN A 16 -9.318 -0.287 8.559 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.759 -0.015 7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.675 1.872 8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.235 1.692 7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.431 2.301 5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.987 2.172 5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.763 4.445 4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.111 5.736 6.105 1.00 0.00 H new ATOM 256 N TRP A 17 -11.126 -0.551 4.675 1.00 0.00 N ATOM 257 CA TRP A 17 -10.756 -0.971 3.291 1.00 0.00 C ATOM 258 C TRP A 17 -10.797 0.238 2.361 1.00 0.00 C ATOM 259 O TRP A 17 -11.691 1.054 2.434 1.00 0.00 O ATOM 260 CB TRP A 17 -11.761 -2.012 2.799 1.00 0.00 C ATOM 261 CG TRP A 17 -11.614 -3.256 3.607 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.233 -3.491 4.787 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.813 -4.436 3.321 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.857 -4.741 5.245 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.984 -5.363 4.374 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.964 -4.788 2.257 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.332 -6.596 4.375 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.305 -6.028 2.254 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.491 -6.931 3.310 1.00 0.00 C ATOM 0 H TRP A 17 -12.129 -0.472 4.845 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.751 -1.394 3.296 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.776 -1.625 2.887 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.592 -2.227 1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.909 -2.814 5.289 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.184 -5.153 6.119 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.818 -4.101 1.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.476 -7.287 5.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.652 -6.287 1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.985 -7.885 3.301 1.00 0.00 H new ATOM 280 N ALA A 18 -9.844 0.354 1.480 1.00 0.00 N ATOM 281 CA ALA A 18 -9.843 1.510 0.541 1.00 0.00 C ATOM 282 C ALA A 18 -8.666 1.388 -0.426 1.00 0.00 C ATOM 283 O ALA A 18 -7.909 0.437 -0.383 1.00 0.00 O ATOM 284 CB ALA A 18 -9.722 2.818 1.330 1.00 0.00 C ATOM 0 H ALA A 18 -9.068 -0.299 1.369 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.776 1.513 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.722 3.661 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.566 2.910 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.792 2.815 1.899 1.00 0.00 H new ATOM 290 N ASN A 19 -8.514 2.349 -1.304 1.00 0.00 N ATOM 291 CA ASN A 19 -7.392 2.317 -2.291 1.00 0.00 C ATOM 292 C ASN A 19 -6.375 3.399 -1.930 1.00 0.00 C ATOM 293 O ASN A 19 -6.730 4.454 -1.445 1.00 0.00 O ATOM 294 CB ASN A 19 -7.950 2.595 -3.685 1.00 0.00 C ATOM 295 CG ASN A 19 -8.879 1.453 -4.094 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.928 0.430 -3.440 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.621 1.580 -5.158 1.00 0.00 N ATOM 0 H ASN A 19 -9.126 3.162 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.909 1.340 -2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.493 3.540 -3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.135 2.691 -4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.242 0.821 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.581 2.438 -5.708 1.00 0.00 H new ATOM 304 N LEU A 20 -5.111 3.153 -2.163 1.00 0.00 N ATOM 305 CA LEU A 20 -4.076 4.181 -1.832 1.00 0.00 C ATOM 306 C LEU A 20 -2.970 4.138 -2.889 1.00 0.00 C ATOM 307 O LEU A 20 -2.372 3.109 -3.136 1.00 0.00 O ATOM 308 CB LEU A 20 -3.483 3.878 -0.450 1.00 0.00 C ATOM 309 CG LEU A 20 -2.682 5.090 0.072 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.393 4.902 1.566 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.349 5.242 -0.697 1.00 0.00 C ATOM 0 H LEU A 20 -4.751 2.288 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.529 5.172 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.282 3.634 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.834 3.004 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.274 5.992 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.827 5.756 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.333 4.824 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.812 3.991 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.803 6.103 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.748 4.342 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.555 5.389 -1.757 1.00 0.00 H new ATOM 323 N LYS A 21 -2.690 5.258 -3.506 1.00 0.00 N ATOM 324 CA LYS A 21 -1.613 5.322 -4.544 1.00 0.00 C ATOM 325 C LYS A 21 -0.452 6.156 -4.000 1.00 0.00 C ATOM 326 O LYS A 21 -0.649 7.218 -3.446 1.00 0.00 O ATOM 327 CB LYS A 21 -2.163 5.986 -5.805 1.00 0.00 C ATOM 328 CG LYS A 21 -1.057 6.057 -6.859 1.00 0.00 C ATOM 329 CD LYS A 21 -1.639 6.507 -8.201 1.00 0.00 C ATOM 330 CE LYS A 21 -2.144 7.948 -8.096 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.316 8.507 -9.466 1.00 0.00 N ATOM 0 H LYS A 21 -3.167 6.143 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.269 4.316 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.011 5.419 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.527 6.987 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.282 6.753 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.584 5.081 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.879 6.435 -8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.456 5.847 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.091 7.976 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.437 8.554 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.659 9.487 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.403 8.492 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.006 7.933 -9.991 1.00 0.00 H new ATOM 345 N ALA A 22 0.754 5.687 -4.146 1.00 0.00 N ATOM 346 CA ALA A 22 1.913 6.466 -3.625 1.00 0.00 C ATOM 347 C ALA A 22 3.206 5.939 -4.245 1.00 0.00 C ATOM 348 O ALA A 22 3.201 4.952 -4.954 1.00 0.00 O ATOM 349 CB ALA A 22 1.977 6.322 -2.102 1.00 0.00 C ATOM 0 H ALA A 22 0.988 4.804 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 22 1.792 7.517 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.824 6.891 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.055 6.702 -1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.098 5.271 -1.841 1.00 0.00 H new ATOM 355 N LYS A 23 4.317 6.587 -3.983 1.00 0.00 N ATOM 356 CA LYS A 23 5.622 6.124 -4.557 1.00 0.00 C ATOM 357 C LYS A 23 6.487 5.536 -3.449 1.00 0.00 C ATOM 358 O LYS A 23 6.415 5.941 -2.305 1.00 0.00 O ATOM 359 CB LYS A 23 6.349 7.304 -5.204 1.00 0.00 C ATOM 360 CG LYS A 23 6.412 8.477 -4.224 1.00 0.00 C ATOM 361 CD LYS A 23 7.459 9.487 -4.698 1.00 0.00 C ATOM 362 CE LYS A 23 7.036 10.075 -6.044 1.00 0.00 C ATOM 363 NZ LYS A 23 7.867 11.273 -6.344 1.00 0.00 N ATOM 0 H LYS A 23 4.376 7.418 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 23 5.433 5.361 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.357 7.007 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.831 7.607 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.436 8.957 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.665 8.117 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.570 10.283 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.430 9.001 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.154 9.331 -6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.981 10.348 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.249 12.066 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.420 11.531 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.513 11.059 -7.131 1.00 0.00 H new ATOM 377 N VAL A 24 7.295 4.568 -3.781 1.00 0.00 N ATOM 378 CA VAL A 24 8.159 3.930 -2.748 1.00 0.00 C ATOM 379 C VAL A 24 9.442 4.740 -2.558 1.00 0.00 C ATOM 380 O VAL A 24 10.142 5.048 -3.501 1.00 0.00 O ATOM 381 CB VAL A 24 8.516 2.514 -3.199 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.446 1.863 -2.171 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.235 1.685 -3.328 1.00 0.00 C ATOM 0 H VAL A 24 7.395 4.191 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 24 7.619 3.896 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 24 9.022 2.558 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.698 0.854 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.358 2.453 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.945 1.818 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.486 0.674 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.730 1.644 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.576 2.146 -4.063 1.00 0.00 H new ATOM 393 N ILE A 25 9.764 5.071 -1.335 1.00 0.00 N ATOM 394 CA ILE A 25 11.014 5.842 -1.063 1.00 0.00 C ATOM 395 C ILE A 25 12.117 4.855 -0.687 1.00 0.00 C ATOM 396 O ILE A 25 13.181 4.840 -1.273 1.00 0.00 O ATOM 397 CB ILE A 25 10.778 6.808 0.099 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.770 7.879 -0.325 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.098 7.475 0.491 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.316 8.678 0.900 1.00 0.00 C ATOM 0 H ILE A 25 9.213 4.839 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 25 11.302 6.411 -1.947 1.00 0.00 H new ATOM 0 HB ILE A 25 10.386 6.256 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.222 8.546 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.910 7.412 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.926 8.163 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.815 6.712 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.495 8.026 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.599 9.439 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.847 8.006 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.179 9.158 1.361 1.00 0.00 H new ATOM 412 N GLN A 26 11.865 4.018 0.285 1.00 0.00 N ATOM 413 CA GLN A 26 12.888 3.018 0.699 1.00 0.00 C ATOM 414 C GLN A 26 12.190 1.759 1.221 1.00 0.00 C ATOM 415 O GLN A 26 11.143 1.819 1.848 1.00 0.00 O ATOM 416 CB GLN A 26 13.766 3.618 1.800 1.00 0.00 C ATOM 417 CG GLN A 26 14.876 2.633 2.180 1.00 0.00 C ATOM 418 CD GLN A 26 15.805 2.416 0.983 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.142 3.349 0.283 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.227 1.211 0.709 1.00 0.00 N ATOM 0 H GLN A 26 10.991 3.985 0.810 1.00 0.00 H new ATOM 0 HA GLN A 26 13.510 2.754 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.203 4.556 1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.159 3.850 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.443 3.018 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.442 1.683 2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.945 0.426 1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.839 1.055 -0.092 1.00 0.00 H new ATOM 429 N LEU A 27 12.780 0.620 0.970 1.00 0.00 N ATOM 430 CA LEU A 27 12.197 -0.671 1.442 1.00 0.00 C ATOM 431 C LEU A 27 13.326 -1.610 1.855 1.00 0.00 C ATOM 432 O LEU A 27 14.355 -1.672 1.211 1.00 0.00 O ATOM 433 CB LEU A 27 11.353 -1.313 0.326 1.00 0.00 C ATOM 434 CG LEU A 27 12.241 -1.801 -0.833 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.345 -2.381 -1.930 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.060 -0.631 -1.406 1.00 0.00 C ATOM 0 H LEU A 27 13.653 0.528 0.451 1.00 0.00 H new ATOM 0 HA LEU A 27 11.549 -0.484 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.787 -2.151 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.628 -0.589 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 27 12.929 -2.563 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.963 -2.730 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.771 -3.216 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.662 -1.610 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.684 -0.990 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.384 0.140 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.694 -0.213 -0.624 1.00 0.00 H new ATOM 448 N TRP A 28 13.141 -2.345 2.924 1.00 0.00 N ATOM 449 CA TRP A 28 14.197 -3.295 3.392 1.00 0.00 C ATOM 450 C TRP A 28 13.663 -4.725 3.285 1.00 0.00 C ATOM 451 O TRP A 28 12.618 -5.051 3.810 1.00 0.00 O ATOM 452 CB TRP A 28 14.547 -2.985 4.848 1.00 0.00 C ATOM 453 CG TRP A 28 15.645 -3.891 5.295 1.00 0.00 C ATOM 454 CD1 TRP A 28 16.915 -3.863 4.828 1.00 0.00 C ATOM 455 CD2 TRP A 28 15.599 -4.952 6.290 1.00 0.00 C ATOM 456 NE1 TRP A 28 17.649 -4.843 5.470 1.00 0.00 N ATOM 457 CE2 TRP A 28 16.882 -5.541 6.381 1.00 0.00 C ATOM 458 CE3 TRP A 28 14.577 -5.457 7.113 1.00 0.00 C ATOM 459 CZ2 TRP A 28 17.142 -6.594 7.260 1.00 0.00 C ATOM 460 CZ3 TRP A 28 14.836 -6.515 7.999 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.115 -7.084 8.070 1.00 0.00 C ATOM 0 H TRP A 28 12.297 -2.327 3.497 1.00 0.00 H new ATOM 0 HA TRP A 28 15.090 -3.191 2.776 1.00 0.00 H new ATOM 0 HB2 TRP A 28 14.856 -1.944 4.946 1.00 0.00 H new ATOM 0 HB3 TRP A 28 13.670 -3.118 5.481 1.00 0.00 H new ATOM 0 HD1 TRP A 28 17.293 -3.186 4.077 1.00 0.00 H new ATOM 0 HE1 TRP A 28 18.636 -5.028 5.292 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.587 -5.029 7.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 18.130 -7.027 7.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 14.045 -6.893 8.630 1.00 0.00 H new ATOM 0 HH2 TRP A 28 16.306 -7.901 8.750 1.00 0.00 H new ATOM 472 N GLU A 29 14.372 -5.578 2.601 1.00 0.00 N ATOM 473 CA GLU A 29 13.908 -6.987 2.450 1.00 0.00 C ATOM 474 C GLU A 29 13.983 -7.709 3.794 1.00 0.00 C ATOM 475 O GLU A 29 14.897 -7.508 4.568 1.00 0.00 O ATOM 476 CB GLU A 29 14.798 -7.706 1.436 1.00 0.00 C ATOM 477 CG GLU A 29 14.560 -7.120 0.044 1.00 0.00 C ATOM 478 CD GLU A 29 15.525 -7.762 -0.953 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.287 -8.620 -0.540 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.485 -7.384 -2.113 1.00 0.00 O ATOM 0 H GLU A 29 15.255 -5.361 2.139 1.00 0.00 H new ATOM 0 HA GLU A 29 12.875 -6.989 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.846 -7.597 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.578 -8.774 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.530 -7.297 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.706 -6.040 0.063 1.00 0.00 H new ATOM 487 N ASN A 30 13.031 -8.559 4.077 1.00 0.00 N ATOM 488 CA ASN A 30 13.052 -9.302 5.369 1.00 0.00 C ATOM 489 C ASN A 30 12.233 -10.587 5.228 1.00 0.00 C ATOM 490 O ASN A 30 11.034 -10.553 5.030 1.00 0.00 O ATOM 491 CB ASN A 30 12.459 -8.429 6.483 1.00 0.00 C ATOM 492 CG ASN A 30 10.956 -8.249 6.262 1.00 0.00 C ATOM 493 OD1 ASN A 30 10.536 -7.739 5.243 1.00 0.00 O ATOM 494 ND2 ASN A 30 10.123 -8.660 7.178 1.00 0.00 N ATOM 0 H ASN A 30 12.240 -8.770 3.468 1.00 0.00 H new ATOM 0 HA ASN A 30 14.081 -9.552 5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.640 -8.891 7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.952 -7.457 6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.118 -8.553 7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.476 -9.088 8.034 1.00 0.00 H new ATOM 501 N THR A 31 12.874 -11.722 5.324 1.00 0.00 N ATOM 502 CA THR A 31 12.144 -13.023 5.194 1.00 0.00 C ATOM 503 C THR A 31 11.895 -13.593 6.593 1.00 0.00 C ATOM 504 O THR A 31 12.358 -14.662 6.940 1.00 0.00 O ATOM 505 CB THR A 31 12.992 -13.997 4.364 1.00 0.00 C ATOM 506 OG1 THR A 31 12.690 -15.334 4.736 1.00 0.00 O ATOM 507 CG2 THR A 31 14.478 -13.721 4.605 1.00 0.00 C ATOM 0 H THR A 31 13.877 -11.807 5.488 1.00 0.00 H new ATOM 0 HA THR A 31 11.188 -12.873 4.693 1.00 0.00 H new ATOM 0 HB THR A 31 12.765 -13.858 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 31 12.911 -15.468 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.077 -14.414 4.014 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.711 -12.698 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 31 14.706 -13.854 5.663 1.00 0.00 H new ATOM 515 N HIS A 32 11.166 -12.879 7.405 1.00 0.00 N ATOM 516 CA HIS A 32 10.879 -13.365 8.786 1.00 0.00 C ATOM 517 C HIS A 32 10.106 -14.681 8.708 1.00 0.00 C ATOM 518 O HIS A 32 10.449 -15.655 9.346 1.00 0.00 O ATOM 519 CB HIS A 32 10.034 -12.312 9.510 1.00 0.00 C ATOM 520 CG HIS A 32 9.746 -12.758 10.918 1.00 0.00 C ATOM 521 ND1 HIS A 32 8.838 -13.766 11.203 1.00 0.00 N ATOM 522 CD2 HIS A 32 10.222 -12.327 12.131 1.00 0.00 C ATOM 523 CE1 HIS A 32 8.794 -13.905 12.541 1.00 0.00 C ATOM 524 NE2 HIS A 32 9.619 -13.052 13.154 1.00 0.00 N ATOM 0 H HIS A 32 10.754 -11.975 7.171 1.00 0.00 H new ATOM 0 HA HIS A 32 11.810 -13.529 9.329 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.561 -11.358 9.523 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.099 -12.152 8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.953 -11.544 12.270 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.168 -14.619 13.056 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.774 -12.953 14.157 1.00 0.00 H new ATOM 532 N GLU A 33 9.069 -14.715 7.919 1.00 0.00 N ATOM 533 CA GLU A 33 8.265 -15.957 7.776 1.00 0.00 C ATOM 534 C GLU A 33 7.211 -15.748 6.683 1.00 0.00 C ATOM 535 O GLU A 33 7.322 -16.266 5.590 1.00 0.00 O ATOM 536 CB GLU A 33 7.571 -16.278 9.115 1.00 0.00 C ATOM 537 CG GLU A 33 7.250 -17.770 9.182 1.00 0.00 C ATOM 538 CD GLU A 33 6.230 -18.125 8.098 1.00 0.00 C ATOM 539 OE1 GLU A 33 5.371 -17.302 7.827 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.328 -19.212 7.552 1.00 0.00 O ATOM 0 H GLU A 33 8.742 -13.926 7.362 1.00 0.00 H new ATOM 0 HA GLU A 33 8.915 -16.788 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.217 -15.997 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.655 -15.694 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.160 -18.354 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.854 -18.023 10.165 1.00 0.00 H new ATOM 547 N SER A 34 6.185 -14.990 6.979 1.00 0.00 N ATOM 548 CA SER A 34 5.104 -14.727 5.978 1.00 0.00 C ATOM 549 C SER A 34 5.228 -13.292 5.459 1.00 0.00 C ATOM 550 O SER A 34 4.385 -12.815 4.725 1.00 0.00 O ATOM 551 CB SER A 34 3.744 -14.904 6.651 1.00 0.00 C ATOM 552 OG SER A 34 2.716 -14.611 5.715 1.00 0.00 O ATOM 0 H SER A 34 6.048 -14.537 7.882 1.00 0.00 H new ATOM 0 HA SER A 34 5.198 -15.425 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.637 -15.925 7.018 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.664 -14.244 7.515 1.00 0.00 H new ATOM 0 HG SER A 34 3.023 -13.912 5.101 1.00 0.00 H new ATOM 558 N ILE A 35 6.268 -12.595 5.843 1.00 0.00 N ATOM 559 CA ILE A 35 6.450 -11.182 5.384 1.00 0.00 C ATOM 560 C ILE A 35 7.504 -11.134 4.279 1.00 0.00 C ATOM 561 O ILE A 35 8.592 -11.659 4.415 1.00 0.00 O ATOM 562 CB ILE A 35 6.908 -10.324 6.562 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.843 -10.371 7.661 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.098 -8.880 6.096 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.395 -9.737 8.941 1.00 0.00 C ATOM 0 H ILE A 35 7.003 -12.945 6.458 1.00 0.00 H new ATOM 0 HA ILE A 35 5.505 -10.800 4.998 1.00 0.00 H new ATOM 0 HB ILE A 35 7.852 -10.706 6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.948 -9.840 7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.549 -11.403 7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.425 -8.267 6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.851 -8.848 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.154 -8.495 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.635 -9.772 9.721 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.277 -10.287 9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.667 -8.700 8.745 1.00 0.00 H new ATOM 577 N SER A 36 7.180 -10.514 3.179 1.00 0.00 N ATOM 578 CA SER A 36 8.143 -10.430 2.043 1.00 0.00 C ATOM 579 C SER A 36 9.058 -9.215 2.221 1.00 0.00 C ATOM 580 O SER A 36 10.244 -9.347 2.468 1.00 0.00 O ATOM 581 CB SER A 36 7.364 -10.290 0.735 1.00 0.00 C ATOM 582 OG SER A 36 8.277 -10.150 -0.345 1.00 0.00 O ATOM 0 H SER A 36 6.282 -10.058 3.016 1.00 0.00 H new ATOM 0 HA SER A 36 8.751 -11.334 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.732 -11.164 0.580 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.704 -9.424 0.783 1.00 0.00 H new ATOM 0 HG SER A 36 7.779 -10.062 -1.185 1.00 0.00 H new ATOM 588 N GLN A 37 8.520 -8.029 2.081 1.00 0.00 N ATOM 589 CA GLN A 37 9.351 -6.793 2.222 1.00 0.00 C ATOM 590 C GLN A 37 8.628 -5.787 3.115 1.00 0.00 C ATOM 591 O GLN A 37 7.418 -5.791 3.221 1.00 0.00 O ATOM 592 CB GLN A 37 9.555 -6.174 0.838 1.00 0.00 C ATOM 593 CG GLN A 37 10.352 -7.141 -0.038 1.00 0.00 C ATOM 594 CD GLN A 37 10.559 -6.527 -1.423 1.00 0.00 C ATOM 595 OE1 GLN A 37 11.682 -6.737 -2.052 1.00 0.00 O flip ATOM 596 NE2 GLN A 37 9.689 -5.853 -1.939 1.00 0.00 N flip ATOM 0 H GLN A 37 7.535 -7.863 1.874 1.00 0.00 H new ATOM 0 HA GLN A 37 10.313 -7.048 2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.591 -5.959 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.084 -5.225 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.316 -7.355 0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.822 -8.090 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.811 -5.689 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.837 -5.451 -2.865 1.00 0.00 H new ATOM 605 N VAL A 38 9.371 -4.921 3.754 1.00 0.00 N ATOM 606 CA VAL A 38 8.761 -3.891 4.648 1.00 0.00 C ATOM 607 C VAL A 38 9.345 -2.529 4.294 1.00 0.00 C ATOM 608 O VAL A 38 10.536 -2.387 4.104 1.00 0.00 O ATOM 609 CB VAL A 38 9.081 -4.230 6.105 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.297 -5.476 6.512 1.00 0.00 C ATOM 611 CG2 VAL A 38 10.583 -4.500 6.254 1.00 0.00 C ATOM 0 H VAL A 38 10.389 -4.883 3.694 1.00 0.00 H new ATOM 0 HA VAL A 38 7.679 -3.873 4.516 1.00 0.00 H new ATOM 0 HB VAL A 38 8.802 -3.393 6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.520 -5.724 7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.229 -5.285 6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.581 -6.310 5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.808 -4.741 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.867 -5.338 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.143 -3.613 5.958 1.00 0.00 H new ATOM 621 N GLY A 39 8.525 -1.526 4.188 1.00 0.00 N ATOM 622 CA GLY A 39 9.063 -0.188 3.829 1.00 0.00 C ATOM 623 C GLY A 39 8.000 0.880 4.035 1.00 0.00 C ATOM 624 O GLY A 39 7.004 0.664 4.697 1.00 0.00 O ATOM 0 H GLY A 39 7.516 -1.572 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.937 0.036 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.392 -0.188 2.790 1.00 0.00 H new ATOM 628 N LEU A 40 8.211 2.035 3.461 1.00 0.00 N ATOM 629 CA LEU A 40 7.223 3.150 3.601 1.00 0.00 C ATOM 630 C LEU A 40 6.935 3.750 2.221 1.00 0.00 C ATOM 631 O LEU A 40 7.676 3.551 1.280 1.00 0.00 O ATOM 632 CB LEU A 40 7.761 4.234 4.561 1.00 0.00 C ATOM 633 CG LEU A 40 9.291 4.385 4.457 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.020 3.138 5.021 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.688 4.628 2.992 1.00 0.00 C ATOM 0 H LEU A 40 9.031 2.257 2.897 1.00 0.00 H new ATOM 0 HA LEU A 40 6.297 2.757 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.286 5.188 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.490 3.979 5.585 1.00 0.00 H new ATOM 0 HG LEU A 40 9.596 5.242 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.098 3.276 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.756 3.005 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.720 2.255 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.770 4.734 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.366 3.783 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.210 5.539 2.632 1.00 0.00 H new ATOM 647 N LEU A 41 5.845 4.469 2.097 1.00 0.00 N ATOM 648 CA LEU A 41 5.473 5.084 0.782 1.00 0.00 C ATOM 649 C LEU A 41 5.394 6.603 0.938 1.00 0.00 C ATOM 650 O LEU A 41 4.810 7.115 1.875 1.00 0.00 O ATOM 651 CB LEU A 41 4.108 4.543 0.345 1.00 0.00 C ATOM 652 CG LEU A 41 4.142 3.011 0.326 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.763 2.476 -0.072 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.196 2.521 -0.682 1.00 0.00 C ATOM 0 H LEU A 41 5.191 4.658 2.857 1.00 0.00 H new ATOM 0 HA LEU A 41 6.224 4.836 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.333 4.891 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.855 4.923 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 41 4.403 2.646 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.786 1.386 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.019 2.814 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.501 2.846 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.214 1.431 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.945 2.886 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.177 2.898 -0.394 1.00 0.00 H new ATOM 666 N GLY A 42 5.985 7.325 0.024 1.00 0.00 N ATOM 667 CA GLY A 42 5.957 8.815 0.104 1.00 0.00 C ATOM 668 C GLY A 42 4.682 9.350 -0.548 1.00 0.00 C ATOM 669 O GLY A 42 4.235 8.852 -1.565 1.00 0.00 O ATOM 0 H GLY A 42 6.488 6.946 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.003 9.132 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.832 9.231 -0.395 1.00 0.00 H new ATOM 673 N ASP A 43 4.094 10.365 0.030 1.00 0.00 N ATOM 674 CA ASP A 43 2.847 10.944 -0.551 1.00 0.00 C ATOM 675 C ASP A 43 2.750 12.430 -0.201 1.00 0.00 C ATOM 676 O ASP A 43 3.428 12.922 0.679 1.00 0.00 O ATOM 677 CB ASP A 43 1.627 10.212 0.012 1.00 0.00 C ATOM 678 CG ASP A 43 0.384 10.602 -0.793 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.546 11.054 -1.916 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.708 10.443 -0.273 1.00 0.00 O ATOM 0 H ASP A 43 4.425 10.819 0.882 1.00 0.00 H new ATOM 0 HA ASP A 43 2.875 10.829 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.782 9.134 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.488 10.468 1.063 1.00 0.00 H new ATOM 685 N GLU A 44 1.909 13.144 -0.893 1.00 0.00 N ATOM 686 CA GLU A 44 1.751 14.602 -0.623 1.00 0.00 C ATOM 687 C GLU A 44 1.195 14.814 0.787 1.00 0.00 C ATOM 688 O GLU A 44 1.314 15.881 1.357 1.00 0.00 O ATOM 689 CB GLU A 44 0.782 15.196 -1.647 1.00 0.00 C ATOM 690 CG GLU A 44 0.654 16.705 -1.431 1.00 0.00 C ATOM 691 CD GLU A 44 -0.248 17.291 -2.518 1.00 0.00 C ATOM 692 OE1 GLU A 44 -0.886 16.515 -3.211 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.284 18.503 -2.641 1.00 0.00 O ATOM 0 H GLU A 44 1.319 12.779 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 44 2.721 15.093 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.138 14.994 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.195 14.722 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.237 16.910 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.637 17.174 -1.465 1.00 0.00 H new ATOM 700 N THR A 45 0.575 13.816 1.353 1.00 0.00 N ATOM 701 CA THR A 45 -0.002 13.974 2.724 1.00 0.00 C ATOM 702 C THR A 45 1.011 13.531 3.784 1.00 0.00 C ATOM 703 O THR A 45 0.838 13.791 4.958 1.00 0.00 O ATOM 704 CB THR A 45 -1.263 13.114 2.836 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.905 11.740 2.763 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.216 13.459 1.691 1.00 0.00 C ATOM 0 H THR A 45 0.441 12.898 0.929 1.00 0.00 H new ATOM 0 HA THR A 45 -0.247 15.023 2.890 1.00 0.00 H new ATOM 0 HB THR A 45 -1.756 13.309 3.788 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.908 11.450 1.827 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.115 12.847 1.769 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.488 14.513 1.749 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.725 13.263 0.738 1.00 0.00 H new ATOM 714 N GLY A 46 2.072 12.877 3.390 1.00 0.00 N ATOM 715 CA GLY A 46 3.092 12.435 4.393 1.00 0.00 C ATOM 716 C GLY A 46 3.687 11.086 3.985 1.00 0.00 C ATOM 717 O GLY A 46 3.697 10.723 2.826 1.00 0.00 O ATOM 0 H GLY A 46 2.278 12.630 2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.883 13.181 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.632 12.355 5.378 1.00 0.00 H new ATOM 721 N ILE A 47 4.189 10.347 4.945 1.00 0.00 N ATOM 722 CA ILE A 47 4.804 9.011 4.658 1.00 0.00 C ATOM 723 C ILE A 47 4.125 7.956 5.536 1.00 0.00 C ATOM 724 O ILE A 47 3.876 8.186 6.703 1.00 0.00 O ATOM 725 CB ILE A 47 6.296 9.068 4.998 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.982 10.111 4.115 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.923 7.701 4.751 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.390 10.386 4.644 1.00 0.00 C ATOM 0 H ILE A 47 4.199 10.616 5.929 1.00 0.00 H new ATOM 0 HA ILE A 47 4.676 8.755 3.606 1.00 0.00 H new ATOM 0 HB ILE A 47 6.421 9.343 6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.033 9.754 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.400 11.033 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.985 7.739 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.434 6.957 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.799 7.428 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.877 11.130 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.328 10.761 5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.970 9.463 4.631 1.00 0.00 H new ATOM 740 N ILE A 48 3.815 6.806 4.983 1.00 0.00 N ATOM 741 CA ILE A 48 3.138 5.730 5.786 1.00 0.00 C ATOM 742 C ILE A 48 3.881 4.401 5.628 1.00 0.00 C ATOM 743 O ILE A 48 4.488 4.130 4.612 1.00 0.00 O ATOM 744 CB ILE A 48 1.697 5.563 5.306 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.014 4.479 6.145 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.687 5.155 3.832 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.494 4.510 5.898 1.00 0.00 C ATOM 0 H ILE A 48 4.001 6.564 4.010 1.00 0.00 H new ATOM 0 HA ILE A 48 3.146 6.019 6.837 1.00 0.00 H new ATOM 0 HB ILE A 48 1.162 6.506 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.415 3.499 5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.222 4.639 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.657 5.037 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.178 5.926 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.219 4.211 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.977 3.737 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.889 5.486 6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.694 4.328 4.842 1.00 0.00 H new ATOM 759 N LYS A 49 3.834 3.575 6.640 1.00 0.00 N ATOM 760 CA LYS A 49 4.533 2.256 6.585 1.00 0.00 C ATOM 761 C LYS A 49 3.644 1.225 5.874 1.00 0.00 C ATOM 762 O LYS A 49 2.431 1.308 5.906 1.00 0.00 O ATOM 763 CB LYS A 49 4.821 1.785 8.025 1.00 0.00 C ATOM 764 CG LYS A 49 6.152 2.369 8.518 1.00 0.00 C ATOM 765 CD LYS A 49 6.048 3.893 8.593 1.00 0.00 C ATOM 766 CE LYS A 49 7.333 4.461 9.194 1.00 0.00 C ATOM 767 NZ LYS A 49 7.235 5.948 9.254 1.00 0.00 N ATOM 0 H LYS A 49 3.336 3.759 7.511 1.00 0.00 H new ATOM 0 HA LYS A 49 5.468 2.358 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.012 2.096 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.859 0.696 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.398 1.963 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.959 2.082 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.885 4.307 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.191 4.180 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.491 4.055 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.191 4.166 8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.000 6.369 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.316 6.251 8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.321 6.262 10.242 1.00 0.00 H new ATOM 781 N PHE A 50 4.242 0.241 5.245 1.00 0.00 N ATOM 782 CA PHE A 50 3.434 -0.808 4.550 1.00 0.00 C ATOM 783 C PHE A 50 4.133 -2.161 4.717 1.00 0.00 C ATOM 784 O PHE A 50 5.346 -2.239 4.784 1.00 0.00 O ATOM 785 CB PHE A 50 3.296 -0.475 3.052 1.00 0.00 C ATOM 786 CG PHE A 50 4.577 -0.795 2.306 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.593 0.156 2.214 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.737 -2.049 1.703 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.773 -0.140 1.520 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.916 -2.347 1.009 1.00 0.00 C ATOM 791 CZ PHE A 50 6.935 -1.393 0.918 1.00 0.00 C ATOM 0 H PHE A 50 5.253 0.120 5.184 1.00 0.00 H new ATOM 0 HA PHE A 50 2.437 -0.846 4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.470 -1.043 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.054 0.581 2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.470 1.123 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.951 -2.786 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.558 0.599 1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.039 -3.314 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.845 -1.623 0.384 1.00 0.00 H new ATOM 801 N THR A 51 3.375 -3.223 4.771 1.00 0.00 N ATOM 802 CA THR A 51 3.970 -4.587 4.920 1.00 0.00 C ATOM 803 C THR A 51 3.338 -5.511 3.879 1.00 0.00 C ATOM 804 O THR A 51 2.133 -5.572 3.744 1.00 0.00 O ATOM 805 CB THR A 51 3.678 -5.116 6.324 1.00 0.00 C ATOM 806 OG1 THR A 51 4.263 -4.248 7.285 1.00 0.00 O ATOM 807 CG2 THR A 51 4.264 -6.518 6.476 1.00 0.00 C ATOM 0 H THR A 51 2.357 -3.205 4.718 1.00 0.00 H new ATOM 0 HA THR A 51 5.049 -4.546 4.771 1.00 0.00 H new ATOM 0 HB THR A 51 2.600 -5.158 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.076 -4.584 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.055 -6.893 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.814 -7.182 5.738 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.342 -6.480 6.321 1.00 0.00 H new ATOM 815 N ILE A 52 4.141 -6.225 3.137 1.00 0.00 N ATOM 816 CA ILE A 52 3.587 -7.143 2.093 1.00 0.00 C ATOM 817 C ILE A 52 3.525 -8.569 2.627 1.00 0.00 C ATOM 818 O ILE A 52 4.503 -9.112 3.103 1.00 0.00 O ATOM 819 CB ILE A 52 4.488 -7.097 0.857 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.344 -5.724 0.196 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.088 -8.201 -0.135 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.448 -5.534 -0.843 1.00 0.00 C ATOM 0 H ILE A 52 5.159 -6.214 3.207 1.00 0.00 H new ATOM 0 HA ILE A 52 2.579 -6.822 1.829 1.00 0.00 H new ATOM 0 HB ILE A 52 5.524 -7.260 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.366 -5.639 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.402 -4.939 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.737 -8.157 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.190 -9.175 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.053 -8.055 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.342 -4.556 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.421 -5.600 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.369 -6.311 -1.604 1.00 0.00 H new ATOM 834 N TRP A 53 2.383 -9.191 2.529 1.00 0.00 N ATOM 835 CA TRP A 53 2.266 -10.591 3.006 1.00 0.00 C ATOM 836 C TRP A 53 2.832 -11.507 1.925 1.00 0.00 C ATOM 837 O TRP A 53 2.377 -11.513 0.799 1.00 0.00 O ATOM 838 CB TRP A 53 0.794 -10.924 3.264 1.00 0.00 C ATOM 839 CG TRP A 53 0.354 -10.259 4.529 1.00 0.00 C ATOM 840 CD1 TRP A 53 -0.175 -9.016 4.615 1.00 0.00 C ATOM 841 CD2 TRP A 53 0.398 -10.779 5.888 1.00 0.00 C ATOM 842 NE1 TRP A 53 -0.456 -8.742 5.942 1.00 0.00 N ATOM 843 CE2 TRP A 53 -0.121 -9.799 6.764 1.00 0.00 C ATOM 844 CE3 TRP A 53 0.835 -11.998 6.437 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -0.204 -10.019 8.139 1.00 0.00 C ATOM 846 CZ3 TRP A 53 0.753 -12.224 7.820 1.00 0.00 C ATOM 847 CH2 TRP A 53 0.235 -11.236 8.670 1.00 0.00 C ATOM 0 H TRP A 53 1.530 -8.789 2.140 1.00 0.00 H new ATOM 0 HA TRP A 53 2.818 -10.727 3.936 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.180 -10.586 2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.661 -12.003 3.341 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.349 -8.348 3.784 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.861 -7.866 6.272 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.236 -12.765 5.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.604 -9.255 8.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.091 -13.164 8.232 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.175 -11.415 9.733 1.00 0.00 H new ATOM 858 N LYS A 54 3.833 -12.269 2.253 1.00 0.00 N ATOM 859 CA LYS A 54 4.441 -13.170 1.238 1.00 0.00 C ATOM 860 C LYS A 54 3.377 -14.163 0.761 1.00 0.00 C ATOM 861 O LYS A 54 3.348 -14.562 -0.386 1.00 0.00 O ATOM 862 CB LYS A 54 5.622 -13.924 1.872 1.00 0.00 C ATOM 863 CG LYS A 54 6.594 -14.378 0.781 1.00 0.00 C ATOM 864 CD LYS A 54 7.806 -15.050 1.432 1.00 0.00 C ATOM 865 CE LYS A 54 8.790 -15.498 0.349 1.00 0.00 C ATOM 866 NZ LYS A 54 9.976 -16.136 0.988 1.00 0.00 N ATOM 0 H LYS A 54 4.257 -12.308 3.180 1.00 0.00 H new ATOM 0 HA LYS A 54 4.805 -12.592 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.136 -13.279 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.257 -14.787 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.099 -15.073 0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.914 -13.524 0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.294 -14.357 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.485 -15.908 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.306 -16.202 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.102 -14.643 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.645 -16.441 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.442 -15.451 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.670 -16.962 1.541 1.00 0.00 H new ATOM 880 N ASN A 55 2.501 -14.561 1.640 1.00 0.00 N ATOM 881 CA ASN A 55 1.432 -15.525 1.254 1.00 0.00 C ATOM 882 C ASN A 55 0.644 -14.962 0.066 1.00 0.00 C ATOM 883 O ASN A 55 -0.182 -15.632 -0.520 1.00 0.00 O ATOM 884 CB ASN A 55 0.494 -15.735 2.447 1.00 0.00 C ATOM 885 CG ASN A 55 -0.634 -16.690 2.059 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.728 -16.261 1.750 1.00 0.00 O ATOM 887 ND2 ASN A 55 -0.416 -17.976 2.067 1.00 0.00 N ATOM 0 H ASN A 55 2.479 -14.259 2.614 1.00 0.00 H new ATOM 0 HA ASN A 55 1.877 -16.478 0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.051 -16.140 3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.079 -14.779 2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.164 -18.622 1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.502 -18.336 2.326 1.00 0.00 H new ATOM 894 N ALA A 56 0.903 -13.735 -0.304 1.00 0.00 N ATOM 895 CA ALA A 56 0.186 -13.131 -1.465 1.00 0.00 C ATOM 896 C ALA A 56 0.959 -13.460 -2.745 1.00 0.00 C ATOM 897 O ALA A 56 0.410 -13.506 -3.827 1.00 0.00 O ATOM 898 CB ALA A 56 0.118 -11.612 -1.284 1.00 0.00 C ATOM 0 H ALA A 56 1.582 -13.124 0.149 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.826 -13.531 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.405 -11.168 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.417 -11.379 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.128 -11.207 -1.229 1.00 0.00 H new ATOM 904 N GLU A 57 2.235 -13.699 -2.620 1.00 0.00 N ATOM 905 CA GLU A 57 3.064 -14.037 -3.812 1.00 0.00 C ATOM 906 C GLU A 57 2.858 -12.991 -4.908 1.00 0.00 C ATOM 907 O GLU A 57 2.613 -13.321 -6.050 1.00 0.00 O ATOM 908 CB GLU A 57 2.656 -15.414 -4.344 1.00 0.00 C ATOM 909 CG GLU A 57 2.976 -16.488 -3.301 1.00 0.00 C ATOM 910 CD GLU A 57 4.488 -16.563 -3.090 1.00 0.00 C ATOM 911 OE1 GLU A 57 5.210 -16.109 -3.963 1.00 0.00 O ATOM 912 OE2 GLU A 57 4.901 -17.067 -2.059 1.00 0.00 O ATOM 0 H GLU A 57 2.743 -13.675 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 57 4.115 -14.050 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.591 -15.424 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.185 -15.627 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.478 -16.255 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.596 -17.455 -3.631 1.00 0.00 H new ATOM 919 N LEU A 58 2.961 -11.730 -4.573 1.00 0.00 N ATOM 920 CA LEU A 58 2.773 -10.653 -5.597 1.00 0.00 C ATOM 921 C LEU A 58 4.151 -10.097 -6.012 1.00 0.00 C ATOM 922 O LEU A 58 5.085 -10.137 -5.235 1.00 0.00 O ATOM 923 CB LEU A 58 1.931 -9.530 -4.988 1.00 0.00 C ATOM 924 CG LEU A 58 0.595 -10.095 -4.483 1.00 0.00 C ATOM 925 CD1 LEU A 58 -0.154 -9.007 -3.709 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.265 -10.562 -5.670 1.00 0.00 C ATOM 0 H LEU A 58 3.168 -11.397 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 58 2.268 -11.058 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.472 -9.062 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.750 -8.754 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 58 0.791 -10.946 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.103 -9.404 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.449 -8.683 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.342 -8.157 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.210 -10.961 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.461 -9.718 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.266 -11.339 -6.221 1.00 0.00 H new ATOM 938 N PRO A 59 4.291 -9.571 -7.217 1.00 0.00 N ATOM 939 CA PRO A 59 5.597 -8.999 -7.686 1.00 0.00 C ATOM 940 C PRO A 59 6.187 -7.979 -6.701 1.00 0.00 C ATOM 941 O PRO A 59 5.476 -7.249 -6.038 1.00 0.00 O ATOM 942 CB PRO A 59 5.246 -8.312 -9.019 1.00 0.00 C ATOM 943 CG PRO A 59 4.013 -9.001 -9.509 1.00 0.00 C ATOM 944 CD PRO A 59 3.250 -9.474 -8.266 1.00 0.00 C ATOM 0 HA PRO A 59 6.357 -9.775 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.070 -7.246 -8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.061 -8.408 -9.737 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.401 -8.323 -10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.270 -9.844 -10.150 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.467 -8.769 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.766 -10.436 -8.437 1.00 0.00 H new ATOM 952 N LEU A 60 7.489 -7.929 -6.603 1.00 0.00 N ATOM 953 CA LEU A 60 8.143 -6.970 -5.668 1.00 0.00 C ATOM 954 C LEU A 60 8.005 -5.541 -6.205 1.00 0.00 C ATOM 955 O LEU A 60 8.078 -5.297 -7.393 1.00 0.00 O ATOM 956 CB LEU A 60 9.626 -7.331 -5.530 1.00 0.00 C ATOM 957 CG LEU A 60 9.761 -8.788 -5.069 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.245 -9.153 -4.971 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.092 -8.972 -3.694 1.00 0.00 C ATOM 0 H LEU A 60 8.131 -8.516 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 60 7.661 -7.029 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.135 -7.192 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.107 -6.666 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 60 9.269 -9.440 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.344 -10.188 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.714 -9.035 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.734 -8.496 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.193 -10.010 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.574 -8.320 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.035 -8.717 -3.767 1.00 0.00 H new ATOM 971 N LEU A 61 7.790 -4.599 -5.328 1.00 0.00 N ATOM 972 CA LEU A 61 7.627 -3.182 -5.761 1.00 0.00 C ATOM 973 C LEU A 61 9.000 -2.559 -6.043 1.00 0.00 C ATOM 974 O LEU A 61 9.985 -2.880 -5.407 1.00 0.00 O ATOM 975 CB LEU A 61 6.910 -2.404 -4.650 1.00 0.00 C ATOM 976 CG LEU A 61 5.402 -2.674 -4.726 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.136 -4.170 -4.523 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.685 -1.875 -3.635 1.00 0.00 C ATOM 0 H LEU A 61 7.720 -4.752 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 61 7.036 -3.141 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.295 -2.704 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.105 -1.337 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 61 5.029 -2.370 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.064 -4.360 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.645 -4.739 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.510 -4.477 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.613 -2.067 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.059 -2.178 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.871 -0.811 -3.781 1.00 0.00 H new ATOM 990 N GLU A 62 9.070 -1.671 -7.001 1.00 0.00 N ATOM 991 CA GLU A 62 10.374 -1.026 -7.342 1.00 0.00 C ATOM 992 C GLU A 62 10.572 0.220 -6.473 1.00 0.00 C ATOM 993 O GLU A 62 9.630 0.896 -6.105 1.00 0.00 O ATOM 994 CB GLU A 62 10.364 -0.630 -8.825 1.00 0.00 C ATOM 995 CG GLU A 62 11.734 -0.076 -9.234 1.00 0.00 C ATOM 996 CD GLU A 62 12.770 -1.201 -9.214 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.374 -2.347 -9.075 1.00 0.00 O ATOM 998 OE2 GLU A 62 13.945 -0.900 -9.348 1.00 0.00 O ATOM 0 H GLU A 62 8.277 -1.364 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 62 11.191 -1.723 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.116 -1.496 -9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.593 0.119 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.677 0.362 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.034 0.720 -8.552 1.00 0.00 H new ATOM 1005 N GLN A 63 11.798 0.525 -6.138 1.00 0.00 N ATOM 1006 CA GLN A 63 12.077 1.719 -5.289 1.00 0.00 C ATOM 1007 C GLN A 63 12.092 2.989 -6.153 1.00 0.00 C ATOM 1008 O GLN A 63 12.815 3.079 -7.125 1.00 0.00 O ATOM 1009 CB GLN A 63 13.444 1.535 -4.606 1.00 0.00 C ATOM 1010 CG GLN A 63 13.527 2.390 -3.336 1.00 0.00 C ATOM 1011 CD GLN A 63 13.516 3.872 -3.709 1.00 0.00 C ATOM 1012 OE1 GLN A 63 12.474 4.493 -3.742 1.00 0.00 O ATOM 1013 NE2 GLN A 63 14.640 4.472 -3.988 1.00 0.00 N ATOM 0 H GLN A 63 12.623 -0.006 -6.418 1.00 0.00 H new ATOM 0 HA GLN A 63 11.297 1.821 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.594 0.485 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.242 1.816 -5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.687 2.165 -2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.436 2.151 -2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.517 3.951 -3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.642 5.462 -4.234 1.00 0.00 H new ATOM 1022 N GLY A 64 11.317 3.980 -5.795 1.00 0.00 N ATOM 1023 CA GLY A 64 11.302 5.249 -6.586 1.00 0.00 C ATOM 1024 C GLY A 64 10.309 5.143 -7.748 1.00 0.00 C ATOM 1025 O GLY A 64 10.508 5.721 -8.797 1.00 0.00 O ATOM 0 H GLY A 64 10.693 3.966 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.029 6.084 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.300 5.457 -6.970 1.00 0.00 H new ATOM 1029 N GLU A 65 9.239 4.409 -7.572 1.00 0.00 N ATOM 1030 CA GLU A 65 8.228 4.266 -8.667 1.00 0.00 C ATOM 1031 C GLU A 65 6.814 4.369 -8.088 1.00 0.00 C ATOM 1032 O GLU A 65 6.559 3.982 -6.961 1.00 0.00 O ATOM 1033 CB GLU A 65 8.411 2.908 -9.354 1.00 0.00 C ATOM 1034 CG GLU A 65 9.756 2.876 -10.089 1.00 0.00 C ATOM 1035 CD GLU A 65 9.747 3.898 -11.229 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.666 4.291 -11.636 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.819 4.272 -11.673 1.00 0.00 O ATOM 0 H GLU A 65 9.021 3.901 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 65 8.370 5.064 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.371 2.108 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.597 2.733 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.566 3.099 -9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.941 1.877 -10.485 1.00 0.00 H new ATOM 1044 N SER A 66 5.896 4.900 -8.858 1.00 0.00 N ATOM 1045 CA SER A 66 4.490 5.043 -8.380 1.00 0.00 C ATOM 1046 C SER A 66 3.769 3.696 -8.480 1.00 0.00 C ATOM 1047 O SER A 66 3.970 2.939 -9.408 1.00 0.00 O ATOM 1048 CB SER A 66 3.764 6.079 -9.242 1.00 0.00 C ATOM 1049 OG SER A 66 4.164 7.384 -8.842 1.00 0.00 O ATOM 0 H SER A 66 6.064 5.242 -9.804 1.00 0.00 H new ATOM 0 HA SER A 66 4.493 5.370 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.997 5.921 -10.295 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.685 5.967 -9.134 1.00 0.00 H new ATOM 0 HG SER A 66 3.431 8.014 -9.001 1.00 0.00 H new ATOM 1055 N TYR A 67 2.915 3.405 -7.534 1.00 0.00 N ATOM 1056 CA TYR A 67 2.155 2.118 -7.562 1.00 0.00 C ATOM 1057 C TYR A 67 0.715 2.367 -7.122 1.00 0.00 C ATOM 1058 O TYR A 67 0.454 3.131 -6.211 1.00 0.00 O ATOM 1059 CB TYR A 67 2.805 1.101 -6.616 1.00 0.00 C ATOM 1060 CG TYR A 67 4.056 0.548 -7.251 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.949 -0.356 -8.314 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.318 0.931 -6.782 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.103 -0.877 -8.910 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.473 0.409 -7.378 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.365 -0.495 -8.442 1.00 0.00 C ATOM 1066 OH TYR A 67 7.502 -1.006 -9.033 1.00 0.00 O ATOM 0 H TYR A 67 2.709 4.007 -6.737 1.00 0.00 H new ATOM 0 HA TYR A 67 2.167 1.721 -8.577 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.047 1.576 -5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.107 0.292 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.975 -0.652 -8.675 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.401 1.628 -5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.019 -1.574 -9.731 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.447 0.704 -7.017 1.00 0.00 H new ATOM 0 HH TYR A 67 7.687 -0.518 -9.862 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.218 1.705 -7.755 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.655 1.862 -7.384 1.00 0.00 C ATOM 1078 C LEU A 68 -2.073 0.629 -6.588 1.00 0.00 C ATOM 1079 O LEU A 68 -2.002 -0.486 -7.073 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.491 1.973 -8.666 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.989 1.807 -8.366 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.412 2.784 -7.269 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.793 2.100 -9.639 1.00 0.00 C ATOM 0 H LEU A 68 -0.043 1.055 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.809 2.759 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.316 2.941 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.173 1.212 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.178 0.787 -8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.475 2.660 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.840 2.584 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.223 3.806 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.857 1.984 -9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.596 3.121 -9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.498 1.404 -10.424 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.503 0.826 -5.369 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.931 -0.320 -4.512 1.00 0.00 C ATOM 1097 C LEU A 69 -4.458 -0.317 -4.417 1.00 0.00 C ATOM 1098 O LEU A 69 -5.063 0.696 -4.128 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.324 -0.146 -3.118 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.799 -0.018 -3.228 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.207 0.190 -1.831 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.208 -1.290 -3.857 1.00 0.00 C ATOM 0 H LEU A 69 -2.577 1.742 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.594 -1.265 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.739 0.741 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.582 -0.998 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.554 0.835 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.877 0.281 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.619 1.099 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.457 -0.662 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.875 -1.190 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.451 -2.151 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.628 -1.433 -4.853 1.00 0.00 H new ATOM 1114 N ARG A 70 -5.088 -1.441 -4.675 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.589 -1.507 -4.619 1.00 0.00 C ATOM 1116 C ARG A 70 -7.058 -2.623 -3.682 1.00 0.00 C ATOM 1117 O ARG A 70 -6.471 -3.685 -3.607 1.00 0.00 O ATOM 1118 CB ARG A 70 -7.136 -1.768 -6.025 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.992 -0.501 -6.869 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.479 -0.775 -8.294 1.00 0.00 C ATOM 1121 NE ARG A 70 -7.433 0.488 -9.085 1.00 0.00 N ATOM 1122 CZ ARG A 70 -7.662 0.465 -10.368 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -7.921 -0.667 -10.964 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -7.632 1.573 -11.055 1.00 0.00 N ATOM 0 H ARG A 70 -4.628 -2.317 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.961 -0.556 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.595 -2.592 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.183 -2.065 -5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.570 0.311 -6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.951 -0.179 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.854 -1.534 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.496 -1.167 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.222 1.372 -8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.944 -1.533 -10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.100 -0.685 -11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.429 2.457 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.811 1.556 -12.059 1.00 0.00 H new ATOM 1138 N SER A 71 -8.136 -2.377 -2.981 1.00 0.00 N ATOM 1139 CA SER A 71 -8.701 -3.396 -2.047 1.00 0.00 C ATOM 1140 C SER A 71 -7.696 -3.733 -0.940 1.00 0.00 C ATOM 1141 O SER A 71 -7.486 -4.885 -0.619 1.00 0.00 O ATOM 1142 CB SER A 71 -9.052 -4.667 -2.825 1.00 0.00 C ATOM 1143 OG SER A 71 -9.598 -4.309 -4.087 1.00 0.00 O ATOM 0 H SER A 71 -8.655 -1.500 -3.018 1.00 0.00 H new ATOM 0 HA SER A 71 -9.600 -2.985 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.162 -5.281 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.769 -5.265 -2.262 1.00 0.00 H new ATOM 0 HG SER A 71 -9.822 -5.121 -4.588 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.085 -2.743 -0.339 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.108 -3.020 0.763 1.00 0.00 C ATOM 1151 C VAL A 72 -6.800 -2.811 2.111 1.00 0.00 C ATOM 1152 O VAL A 72 -7.836 -2.177 2.194 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.912 -2.069 0.657 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.022 -2.477 -0.521 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.412 -0.638 0.447 1.00 0.00 C ATOM 0 H VAL A 72 -7.219 -1.757 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.755 -4.048 0.679 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.332 -2.122 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.174 -1.796 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.659 -3.494 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.598 -2.433 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.560 0.038 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.997 -0.588 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.036 -0.343 1.291 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.229 -3.345 3.163 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.828 -3.203 4.529 1.00 0.00 C ATOM 1167 C VAL A 73 -5.805 -2.547 5.457 1.00 0.00 C ATOM 1168 O VAL A 73 -4.626 -2.839 5.403 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.196 -4.594 5.067 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.925 -5.391 5.383 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.024 -4.440 6.346 1.00 0.00 C ATOM 0 H VAL A 73 -5.361 -3.881 3.134 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.725 -2.585 4.480 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.774 -5.126 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.198 -6.375 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.332 -5.505 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.340 -4.861 6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.287 -5.426 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.441 -3.902 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.934 -3.882 6.125 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.242 -1.654 6.299 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.294 -0.968 7.223 1.00 0.00 C ATOM 1183 C VAL A 74 -5.167 -1.773 8.520 1.00 0.00 C ATOM 1184 O VAL A 74 -6.115 -1.923 9.267 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.839 0.426 7.531 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.889 1.153 8.479 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -5.965 1.216 6.225 1.00 0.00 C ATOM 0 H VAL A 74 -7.217 -1.368 6.388 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.311 -0.889 6.760 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.817 0.339 8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.281 2.147 8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.798 0.588 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.908 1.244 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.354 2.212 6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.985 1.302 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.646 0.698 5.550 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.997 -2.298 8.790 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.790 -3.103 10.037 1.00 0.00 C ATOM 1199 C GLY A 75 -3.122 -2.237 11.108 1.00 0.00 C ATOM 1200 O GLY A 75 -2.389 -1.315 10.810 1.00 0.00 O ATOM 0 H GLY A 75 -3.172 -2.204 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.746 -3.477 10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.170 -3.973 9.821 1.00 0.00 H new ATOM 1204 N GLU A 76 -3.371 -2.530 12.354 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.755 -1.730 13.451 1.00 0.00 C ATOM 1206 C GLU A 76 -1.247 -1.974 13.495 1.00 0.00 C ATOM 1207 O GLU A 76 -0.788 -3.094 13.382 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.372 -2.151 14.782 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.829 -1.696 14.827 1.00 0.00 C ATOM 1210 CD GLU A 76 -5.487 -2.211 16.107 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.807 -2.871 16.876 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -6.661 -1.936 16.296 1.00 0.00 O ATOM 0 H GLU A 76 -3.976 -3.291 12.661 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.939 -0.671 13.271 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.313 -3.233 14.898 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.816 -1.711 15.610 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.882 -0.608 14.791 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.365 -2.070 13.955 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.473 -0.930 13.671 1.00 0.00 N ATOM 1220 CA TYR A 77 1.015 -1.082 13.740 1.00 0.00 C ATOM 1221 C TYR A 77 1.532 -0.326 14.970 1.00 0.00 C ATOM 1222 O TYR A 77 1.247 0.850 15.163 1.00 0.00 O ATOM 1223 CB TYR A 77 1.647 -0.527 12.456 1.00 0.00 C ATOM 1224 CG TYR A 77 3.115 -0.894 12.404 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.496 -2.240 12.317 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.096 0.108 12.444 1.00 0.00 C ATOM 1227 CE1 TYR A 77 4.852 -2.586 12.269 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.454 -0.240 12.398 1.00 0.00 C ATOM 1229 CZ TYR A 77 5.830 -1.586 12.312 1.00 0.00 C ATOM 1230 OH TYR A 77 7.168 -1.927 12.271 1.00 0.00 O ATOM 0 H TYR A 77 -0.811 0.027 13.770 1.00 0.00 H new ATOM 0 HA TYR A 77 1.285 -2.134 13.829 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.132 -0.929 11.584 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.533 0.556 12.423 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.742 -3.012 12.287 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.806 1.146 12.510 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.143 -3.624 12.199 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.210 0.531 12.429 1.00 0.00 H new ATOM 0 HH TYR A 77 7.714 -1.114 12.309 1.00 0.00 H new ATOM 1240 N ASN A 78 2.277 -1.011 15.812 1.00 0.00 N ATOM 1241 CA ASN A 78 2.824 -0.388 17.062 1.00 0.00 C ATOM 1242 C ASN A 78 3.184 1.074 16.816 1.00 0.00 C ATOM 1243 O ASN A 78 3.105 1.899 17.706 1.00 0.00 O ATOM 1244 CB ASN A 78 4.088 -1.139 17.494 1.00 0.00 C ATOM 1245 CG ASN A 78 3.726 -2.556 17.947 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.487 -2.844 18.240 1.00 0.00 O flip ATOM 1247 ND2 ASN A 78 4.582 -3.412 18.032 1.00 0.00 N flip ATOM 0 H ASN A 78 2.532 -1.990 15.682 1.00 0.00 H new ATOM 0 HA ASN A 78 2.063 -0.446 17.841 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.796 -1.183 16.666 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.580 -0.603 18.306 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.551 -3.189 17.803 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.333 -4.355 18.332 1.00 0.00 H new ATOM 1254 N ASP A 79 3.565 1.403 15.608 1.00 0.00 N ATOM 1255 CA ASP A 79 3.924 2.818 15.282 1.00 0.00 C ATOM 1256 C ASP A 79 2.909 3.400 14.303 1.00 0.00 C ATOM 1257 O ASP A 79 3.241 3.683 13.177 1.00 0.00 O ATOM 1258 CB ASP A 79 5.318 2.876 14.653 1.00 0.00 C ATOM 1259 CG ASP A 79 6.382 2.642 15.726 1.00 0.00 C ATOM 1260 OD1 ASP A 79 6.045 2.723 16.896 1.00 0.00 O ATOM 1261 OD2 ASP A 79 7.519 2.392 15.360 1.00 0.00 O ATOM 0 H ASP A 79 3.643 0.749 14.829 1.00 0.00 H new ATOM 0 HA ASP A 79 3.918 3.400 16.204 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.405 2.122 13.871 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.473 3.846 14.180 1.00 0.00 H new ATOM 1266 N ARG A 80 1.687 3.590 14.754 1.00 0.00 N ATOM 1267 CA ARG A 80 0.591 4.193 13.911 1.00 0.00 C ATOM 1268 C ARG A 80 -0.097 3.115 13.077 1.00 0.00 C ATOM 1269 O ARG A 80 -0.051 1.944 13.395 1.00 0.00 O ATOM 1270 CB ARG A 80 1.127 5.310 12.991 1.00 0.00 C ATOM 1271 CG ARG A 80 1.824 6.384 13.837 1.00 0.00 C ATOM 1272 CD ARG A 80 2.574 7.352 12.923 1.00 0.00 C ATOM 1273 NE ARG A 80 3.764 6.665 12.346 1.00 0.00 N ATOM 1274 CZ ARG A 80 4.444 7.235 11.391 1.00 0.00 C ATOM 1275 NH1 ARG A 80 4.092 8.411 10.953 1.00 0.00 N ATOM 1276 NH2 ARG A 80 5.482 6.630 10.880 1.00 0.00 N ATOM 0 H ARG A 80 1.393 3.345 15.700 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.135 4.638 14.591 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.826 4.893 12.266 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.308 5.753 12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.089 6.926 14.432 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.518 5.917 14.536 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.918 7.699 12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.885 8.233 13.485 1.00 0.00 H new ATOM 0 HE ARG A 80 4.046 5.750 12.698 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.285 8.885 11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.624 8.857 10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.760 5.712 11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.015 7.075 10.133 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.757 3.511 12.020 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.478 2.530 11.156 1.00 0.00 C ATOM 1292 C PHE A 81 -0.673 2.285 9.880 1.00 0.00 C ATOM 1293 O PHE A 81 0.068 3.137 9.430 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.844 3.109 10.789 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.682 3.251 12.036 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.388 2.151 12.536 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.749 4.483 12.696 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.163 2.284 13.694 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.523 4.616 13.855 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.229 3.517 14.353 1.00 0.00 C ATOM 0 H PHE A 81 -0.828 4.482 11.716 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.603 1.588 11.690 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.722 4.079 10.308 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.346 2.459 10.073 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.335 1.199 12.028 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.203 5.332 12.311 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.710 1.436 14.079 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.575 5.567 14.364 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.826 3.619 15.247 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.807 1.122 9.297 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.048 0.800 8.049 1.00 0.00 C ATOM 1312 C GLN A 82 -0.979 0.101 7.058 1.00 0.00 C ATOM 1313 O GLN A 82 -2.057 -0.335 7.409 1.00 0.00 O ATOM 1314 CB GLN A 82 1.122 -0.124 8.397 1.00 0.00 C ATOM 1315 CG GLN A 82 0.589 -1.476 8.887 1.00 0.00 C ATOM 1316 CD GLN A 82 1.747 -2.317 9.428 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.942 -1.799 9.500 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 1.561 -3.462 9.790 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.414 0.375 9.634 1.00 0.00 H new ATOM 0 HA GLN A 82 0.334 1.717 7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.756 -0.268 7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.742 0.334 9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.158 -1.323 9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.095 -2.002 8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.627 -3.869 9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.338 -4.016 10.149 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.567 -0.010 5.821 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.419 -0.685 4.791 1.00 0.00 C ATOM 1329 C VAL A 83 -0.823 -2.059 4.489 1.00 0.00 C ATOM 1330 O VAL A 83 0.363 -2.195 4.261 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.437 0.161 3.520 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.914 1.572 3.863 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.027 0.226 2.926 1.00 0.00 C ATOM 0 H VAL A 83 0.327 0.339 5.477 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.439 -0.799 5.159 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.113 -0.287 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.929 2.181 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.918 1.524 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.236 2.019 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.042 0.830 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.653 0.675 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.313 -0.781 2.685 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.636 -3.086 4.514 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.128 -4.471 4.258 1.00 0.00 C ATOM 1345 C GLN A 84 -1.564 -4.954 2.873 1.00 0.00 C ATOM 1346 O GLN A 84 -2.718 -4.867 2.504 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.695 -5.405 5.325 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.103 -5.028 6.683 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.682 -5.934 7.769 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.398 -6.871 7.481 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.403 -5.685 9.018 1.00 0.00 N ATOM 0 H GLN A 84 -2.637 -3.025 4.702 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.039 -4.469 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.782 -5.328 5.354 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.455 -6.441 5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.018 -5.125 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.325 -3.985 6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.801 -4.897 9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.786 -6.278 9.754 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.639 -5.475 2.110 1.00 0.00 N ATOM 1361 CA VAL A 85 -0.972 -5.985 0.747 1.00 0.00 C ATOM 1362 C VAL A 85 -1.316 -7.474 0.842 1.00 0.00 C ATOM 1363 O VAL A 85 -0.597 -8.243 1.452 1.00 0.00 O ATOM 1364 CB VAL A 85 0.239 -5.799 -0.167 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.146 -6.105 -1.617 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.734 -4.353 -0.059 1.00 0.00 C ATOM 0 H VAL A 85 0.341 -5.570 2.375 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.823 -5.437 0.341 1.00 0.00 H new ATOM 0 HB VAL A 85 1.031 -6.483 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.723 -5.970 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.496 -7.135 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.940 -5.429 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.598 -4.215 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.061 -3.672 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.018 -4.142 0.972 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.414 -7.884 0.251 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.826 -9.326 0.309 1.00 0.00 C ATOM 1378 C ASN A 86 -3.062 -9.867 -1.102 1.00 0.00 C ATOM 1379 O ASN A 86 -2.997 -9.151 -2.081 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.118 -9.446 1.117 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.814 -9.219 2.599 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -2.678 -9.318 3.021 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.786 -8.916 3.414 1.00 0.00 N ATOM 0 H ASN A 86 -3.047 -7.279 -0.272 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.033 -9.904 0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.847 -8.715 0.768 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.560 -10.432 0.972 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.593 -8.762 4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.740 -8.833 3.062 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.337 -11.137 -1.201 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.575 -11.768 -2.531 1.00 0.00 C ATOM 1392 C LYS A 87 -4.709 -11.054 -3.267 1.00 0.00 C ATOM 1393 O LYS A 87 -4.627 -10.789 -4.450 1.00 0.00 O ATOM 1394 CB LYS A 87 -3.961 -13.233 -2.310 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.261 -13.907 -3.648 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.496 -15.400 -3.413 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.764 -16.093 -4.747 1.00 0.00 C ATOM 1398 NZ LYS A 87 -6.011 -15.542 -5.346 1.00 0.00 N ATOM 0 H LYS A 87 -3.408 -11.774 -0.407 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.669 -11.696 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.151 -13.758 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.834 -13.293 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.140 -13.456 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.430 -13.761 -4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.626 -15.844 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.342 -15.544 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.924 -15.941 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.863 -17.168 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.383 -16.211 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.720 -15.396 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.803 -14.634 -5.807 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.771 -10.755 -2.586 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.915 -10.075 -3.254 1.00 0.00 C ATOM 1414 C ASN A 88 -6.495 -8.688 -3.749 1.00 0.00 C ATOM 1415 O ASN A 88 -6.980 -8.202 -4.751 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.069 -9.924 -2.264 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.426 -11.290 -1.675 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.269 -12.363 -2.399 1.00 0.00 O flip ATOM 1419 ND2 ASN A 88 -8.859 -11.380 -0.544 1.00 0.00 N flip ATOM 0 H ASN A 88 -5.901 -10.951 -1.593 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.231 -10.678 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.789 -9.236 -1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.937 -9.495 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.982 -10.541 0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.099 -12.294 -0.161 1.00 0.00 H new ATOM 1426 N SER A 89 -5.616 -8.033 -3.043 1.00 0.00 N ATOM 1427 CA SER A 89 -5.192 -6.665 -3.461 1.00 0.00 C ATOM 1428 C SER A 89 -4.550 -6.696 -4.851 1.00 0.00 C ATOM 1429 O SER A 89 -3.906 -7.654 -5.232 1.00 0.00 O ATOM 1430 CB SER A 89 -4.184 -6.115 -2.452 1.00 0.00 C ATOM 1431 OG SER A 89 -4.799 -6.038 -1.174 1.00 0.00 O ATOM 0 H SER A 89 -5.172 -8.385 -2.195 1.00 0.00 H new ATOM 0 HA SER A 89 -6.073 -6.025 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.306 -6.760 -2.408 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.840 -5.129 -2.764 1.00 0.00 H new ATOM 0 HG SER A 89 -5.686 -5.630 -1.262 1.00 0.00 H new ATOM 1437 N SER A 90 -4.725 -5.636 -5.606 1.00 0.00 N ATOM 1438 CA SER A 90 -4.133 -5.557 -6.981 1.00 0.00 C ATOM 1439 C SER A 90 -3.059 -4.467 -6.998 1.00 0.00 C ATOM 1440 O SER A 90 -3.146 -3.490 -6.280 1.00 0.00 O ATOM 1441 CB SER A 90 -5.226 -5.198 -7.991 1.00 0.00 C ATOM 1442 OG SER A 90 -6.366 -6.017 -7.765 1.00 0.00 O ATOM 0 H SER A 90 -5.259 -4.813 -5.325 1.00 0.00 H new ATOM 0 HA SER A 90 -3.695 -6.519 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.495 -4.146 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.858 -5.340 -9.007 1.00 0.00 H new ATOM 0 HG SER A 90 -7.067 -5.787 -8.410 1.00 0.00 H new ATOM 1448 N ILE A 91 -2.046 -4.627 -7.816 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.951 -3.605 -7.893 1.00 0.00 C ATOM 1450 C ILE A 91 -0.679 -3.255 -9.354 1.00 0.00 C ATOM 1451 O ILE A 91 -0.510 -4.126 -10.185 1.00 0.00 O ATOM 1452 CB ILE A 91 0.327 -4.184 -7.285 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.103 -4.461 -5.797 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.475 -3.185 -7.456 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.277 -5.272 -5.242 1.00 0.00 C ATOM 0 H ILE A 91 -1.929 -5.427 -8.438 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.256 -2.712 -7.347 1.00 0.00 H new ATOM 0 HB ILE A 91 0.582 -5.115 -7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.007 -3.522 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.829 -5.008 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.385 -3.599 -7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.634 -2.992 -8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.224 -2.252 -6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.115 -5.468 -4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.352 -6.218 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.201 -4.708 -5.370 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.615 -1.986 -9.673 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.328 -1.576 -11.088 1.00 0.00 C ATOM 1469 C GLU A 92 0.749 -0.491 -11.081 1.00 0.00 C ATOM 1470 O GLU A 92 0.690 0.452 -10.316 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.603 -1.035 -11.740 1.00 0.00 C ATOM 1472 CG GLU A 92 -2.671 -2.128 -11.761 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.209 -3.289 -12.646 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -1.326 -3.073 -13.461 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.746 -4.375 -12.496 1.00 0.00 O ATOM 0 H GLU A 92 -0.748 -1.215 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 92 0.021 -2.438 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.966 -0.168 -11.188 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.391 -0.700 -12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.860 -2.484 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.611 -1.724 -12.137 1.00 0.00 H new ATOM 1482 N LYS A 93 1.736 -0.620 -11.924 1.00 0.00 N ATOM 1483 CA LYS A 93 2.820 0.400 -11.966 1.00 0.00 C ATOM 1484 C LYS A 93 2.364 1.583 -12.821 1.00 0.00 C ATOM 1485 O LYS A 93 1.974 1.424 -13.960 1.00 0.00 O ATOM 1486 CB LYS A 93 4.075 -0.226 -12.572 1.00 0.00 C ATOM 1487 CG LYS A 93 5.212 0.793 -12.564 1.00 0.00 C ATOM 1488 CD LYS A 93 6.485 0.128 -13.082 1.00 0.00 C ATOM 1489 CE LYS A 93 7.630 1.139 -13.062 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.879 0.479 -13.536 1.00 0.00 N ATOM 0 H LYS A 93 1.838 -1.389 -12.586 1.00 0.00 H new ATOM 0 HA LYS A 93 3.043 0.749 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.362 -1.111 -12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.874 -0.553 -13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.954 1.648 -13.188 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.370 1.172 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.736 -0.734 -12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.329 -0.241 -14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.390 1.990 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.770 1.527 -12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.660 1.165 -13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.109 -0.319 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.741 0.130 -14.506 1.00 0.00 H new ATOM 1504 N LEU A 94 2.398 2.772 -12.274 1.00 0.00 N ATOM 1505 CA LEU A 94 1.952 3.973 -13.047 1.00 0.00 C ATOM 1506 C LEU A 94 3.162 4.675 -13.663 1.00 0.00 C ATOM 1507 O LEU A 94 4.184 4.852 -13.034 1.00 0.00 O ATOM 1508 CB LEU A 94 1.213 4.940 -12.110 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.252 4.495 -11.944 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -1.040 4.702 -13.259 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.290 3.014 -11.543 1.00 0.00 C ATOM 0 H LEU A 94 2.716 2.964 -11.324 1.00 0.00 H new ATOM 0 HA LEU A 94 1.281 3.657 -13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.706 4.966 -11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.251 5.952 -12.514 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.718 5.100 -11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.072 4.381 -13.119 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.022 5.757 -13.532 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.582 4.114 -14.054 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.326 2.696 -11.425 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.187 2.415 -12.318 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.241 2.878 -10.601 1.00 0.00 H new ATOM 1523 N SER A 95 3.035 5.081 -14.894 1.00 0.00 N ATOM 1524 CA SER A 95 4.155 5.781 -15.579 1.00 0.00 C ATOM 1525 C SER A 95 4.138 7.260 -15.185 1.00 0.00 C ATOM 1526 O SER A 95 5.012 8.019 -15.552 1.00 0.00 O ATOM 1527 CB SER A 95 3.971 5.657 -17.091 1.00 0.00 C ATOM 1528 OG SER A 95 2.805 6.373 -17.480 1.00 0.00 O ATOM 0 H SER A 95 2.196 4.957 -15.460 1.00 0.00 H new ATOM 0 HA SER A 95 5.106 5.335 -15.287 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.845 6.052 -17.609 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.880 4.608 -17.374 1.00 0.00 H new ATOM 0 HG SER A 95 2.683 6.298 -18.450 1.00 0.00 H new ATOM 1534 N GLU A 96 3.142 7.675 -14.447 1.00 0.00 N ATOM 1535 CA GLU A 96 3.044 9.109 -14.030 1.00 0.00 C ATOM 1536 C GLU A 96 3.476 9.245 -12.556 1.00 0.00 C ATOM 1537 O GLU A 96 2.779 8.788 -11.673 1.00 0.00 O ATOM 1538 CB GLU A 96 1.591 9.564 -14.175 1.00 0.00 C ATOM 1539 CG GLU A 96 1.183 9.471 -15.648 1.00 0.00 C ATOM 1540 CD GLU A 96 -0.168 10.157 -15.856 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.429 11.130 -15.167 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -0.916 9.701 -16.704 1.00 0.00 O ATOM 0 H GLU A 96 2.385 7.079 -14.112 1.00 0.00 H new ATOM 0 HA GLU A 96 3.692 9.723 -14.655 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.939 8.940 -13.564 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.480 10.588 -13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.940 9.942 -16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.121 8.426 -15.952 1.00 0.00 H new ATOM 1549 N PRO A 97 4.615 9.850 -12.270 1.00 0.00 N ATOM 1550 CA PRO A 97 5.096 10.000 -10.864 1.00 0.00 C ATOM 1551 C PRO A 97 4.318 11.081 -10.100 1.00 0.00 C ATOM 1552 O PRO A 97 3.696 11.945 -10.687 1.00 0.00 O ATOM 1553 CB PRO A 97 6.580 10.367 -11.019 1.00 0.00 C ATOM 1554 CG PRO A 97 6.681 11.046 -12.350 1.00 0.00 C ATOM 1555 CD PRO A 97 5.564 10.459 -13.229 1.00 0.00 C ATOM 0 HA PRO A 97 4.948 9.093 -10.278 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.908 11.026 -10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.211 9.479 -10.981 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.564 12.125 -12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.659 10.874 -12.800 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.082 11.233 -13.827 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.956 9.717 -13.925 1.00 0.00 H new ATOM 1563 N ILE A 98 4.344 11.033 -8.792 1.00 0.00 N ATOM 1564 CA ILE A 98 3.605 12.049 -7.978 1.00 0.00 C ATOM 1565 C ILE A 98 4.576 13.127 -7.499 1.00 0.00 C ATOM 1566 O ILE A 98 5.600 12.844 -6.908 1.00 0.00 O ATOM 1567 CB ILE A 98 2.962 11.364 -6.771 1.00 0.00 C ATOM 1568 CG1 ILE A 98 1.942 10.335 -7.266 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.262 12.407 -5.896 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.473 9.464 -6.098 1.00 0.00 C ATOM 0 H ILE A 98 4.847 10.331 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 98 2.829 12.510 -8.590 1.00 0.00 H new ATOM 0 HB ILE A 98 3.730 10.865 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.090 10.843 -7.718 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.388 9.711 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.805 11.914 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.991 13.139 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.490 12.911 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.747 8.734 -6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.328 8.944 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.009 10.093 -5.338 1.00 0.00 H new ATOM 1582 N GLU A 99 4.260 14.364 -7.760 1.00 0.00 N ATOM 1583 CA GLU A 99 5.157 15.473 -7.336 1.00 0.00 C ATOM 1584 C GLU A 99 4.972 15.750 -5.843 1.00 0.00 C ATOM 1585 O GLU A 99 3.885 16.048 -5.386 1.00 0.00 O ATOM 1586 CB GLU A 99 4.811 16.728 -8.138 1.00 0.00 C ATOM 1587 CG GLU A 99 5.199 16.513 -9.602 1.00 0.00 C ATOM 1588 CD GLU A 99 4.765 17.722 -10.430 1.00 0.00 C ATOM 1589 OE1 GLU A 99 4.224 18.649 -9.850 1.00 0.00 O ATOM 1590 OE2 GLU A 99 4.980 17.702 -11.630 1.00 0.00 O ATOM 0 H GLU A 99 3.415 14.656 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 99 6.195 15.193 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.745 16.942 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.340 17.591 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.276 16.370 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.726 15.609 -9.985 1.00 0.00 H new ATOM 1597 N VAL A 100 6.033 15.656 -5.080 1.00 0.00 N ATOM 1598 CA VAL A 100 5.947 15.914 -3.606 1.00 0.00 C ATOM 1599 C VAL A 100 6.606 17.259 -3.291 1.00 0.00 C ATOM 1600 O VAL A 100 6.461 17.793 -2.210 1.00 0.00 O ATOM 1601 CB VAL A 100 6.678 14.797 -2.859 1.00 0.00 C ATOM 1602 CG1 VAL A 100 6.305 14.840 -1.374 1.00 0.00 C ATOM 1603 CG2 VAL A 100 6.269 13.446 -3.446 1.00 0.00 C ATOM 0 H VAL A 100 6.964 15.410 -5.417 1.00 0.00 H new ATOM 0 HA VAL A 100 4.903 15.939 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 100 7.754 14.934 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.827 14.043 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.593 15.804 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.229 14.704 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.788 12.647 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.192 13.313 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.535 13.413 -4.503 1.00 0.00 H new ATOM 1613 N GLY A 101 7.329 17.813 -4.229 1.00 0.00 N ATOM 1614 CA GLY A 101 8.000 19.128 -3.989 1.00 0.00 C ATOM 1615 C GLY A 101 9.356 19.153 -4.702 1.00 0.00 C ATOM 1616 O GLY A 101 10.389 19.311 -4.084 1.00 0.00 O ATOM 0 H GLY A 101 7.485 17.411 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.371 19.940 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.138 19.287 -2.920 1.00 0.00 H new ATOM 1620 N LEU A 102 9.367 19.000 -5.999 1.00 0.00 N ATOM 1621 CA LEU A 102 10.664 19.019 -6.736 1.00 0.00 C ATOM 1622 C LEU A 102 11.325 20.391 -6.573 1.00 0.00 C ATOM 1623 O LEU A 102 12.513 20.496 -6.339 1.00 0.00 O ATOM 1624 CB LEU A 102 10.412 18.745 -8.226 1.00 0.00 C ATOM 1625 CG LEU A 102 11.719 18.861 -9.026 1.00 0.00 C ATOM 1626 CD1 LEU A 102 12.782 17.910 -8.453 1.00 0.00 C ATOM 1627 CD2 LEU A 102 11.440 18.498 -10.489 1.00 0.00 C ATOM 0 H LEU A 102 8.538 18.863 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 102 11.322 18.249 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 102 9.990 17.748 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.679 19.453 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 102 12.093 19.883 -8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.702 18.003 -9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.978 18.168 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.420 16.883 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.362 18.577 -11.066 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.064 17.477 -10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.696 19.182 -10.898 1.00 0.00 H new ATOM 1639 N GLU A 103 10.566 21.447 -6.699 1.00 0.00 N ATOM 1640 CA GLU A 103 11.151 22.816 -6.555 1.00 0.00 C ATOM 1641 C GLU A 103 11.010 23.292 -5.109 1.00 0.00 C ATOM 1642 O GLU A 103 9.917 23.503 -4.621 1.00 0.00 O ATOM 1643 CB GLU A 103 10.412 23.779 -7.486 1.00 0.00 C ATOM 1644 CG GLU A 103 11.039 25.171 -7.388 1.00 0.00 C ATOM 1645 CD GLU A 103 10.360 26.106 -8.389 1.00 0.00 C ATOM 1646 OE1 GLU A 103 9.672 25.608 -9.265 1.00 0.00 O ATOM 1647 OE2 GLU A 103 10.540 27.307 -8.263 1.00 0.00 O ATOM 0 H GLU A 103 9.565 21.423 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 103 12.208 22.788 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.462 23.418 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.357 23.825 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.928 25.561 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.108 25.116 -7.593 1.00 0.00 H new ATOM 1654 N HIS A 104 12.112 23.472 -4.426 1.00 0.00 N ATOM 1655 CA HIS A 104 12.066 23.944 -3.007 1.00 0.00 C ATOM 1656 C HIS A 104 10.926 23.254 -2.247 1.00 0.00 C ATOM 1657 O HIS A 104 11.081 22.167 -1.728 1.00 0.00 O ATOM 1658 CB HIS A 104 11.852 25.460 -2.983 1.00 0.00 C ATOM 1659 CG HIS A 104 11.788 25.931 -1.557 1.00 0.00 C ATOM 1660 ND1 HIS A 104 12.905 25.960 -0.737 1.00 0.00 N ATOM 1661 CD2 HIS A 104 10.748 26.394 -0.789 1.00 0.00 C ATOM 1662 CE1 HIS A 104 12.515 26.424 0.465 1.00 0.00 C ATOM 1663 NE2 HIS A 104 11.208 26.704 0.486 1.00 0.00 N ATOM 0 H HIS A 104 13.050 23.311 -4.793 1.00 0.00 H new ATOM 0 HA HIS A 104 13.010 23.695 -2.522 1.00 0.00 H new ATOM 0 HB2 HIS A 104 12.665 25.962 -3.507 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.930 25.717 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.727 26.501 -1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.177 26.554 1.309 1.00 0.00 H new ATOM 0 HE2 HIS A 104 10.665 27.067 1.269 1.00 0.00 H new ATOM 1671 N HIS A 105 9.780 23.880 -2.173 1.00 0.00 N ATOM 1672 CA HIS A 105 8.635 23.261 -1.446 1.00 0.00 C ATOM 1673 C HIS A 105 7.309 23.752 -2.036 1.00 0.00 C ATOM 1674 O HIS A 105 7.266 24.683 -2.815 1.00 0.00 O ATOM 1675 CB HIS A 105 8.715 23.622 0.039 1.00 0.00 C ATOM 1676 CG HIS A 105 9.874 22.891 0.663 1.00 0.00 C ATOM 1677 ND1 HIS A 105 9.954 21.507 0.671 1.00 0.00 N ATOM 1678 CD2 HIS A 105 11.004 23.334 1.303 1.00 0.00 C ATOM 1679 CE1 HIS A 105 11.095 21.168 1.297 1.00 0.00 C ATOM 1680 NE2 HIS A 105 11.774 22.246 1.704 1.00 0.00 N ATOM 0 H HIS A 105 9.589 24.793 -2.585 1.00 0.00 H new ATOM 0 HA HIS A 105 8.685 22.178 -1.555 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.841 24.698 0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.786 23.353 0.542 1.00 0.00 H new ATOM 0 HD2 HIS A 105 11.258 24.370 1.470 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.423 20.151 1.452 1.00 0.00 H new ATOM 0 HE2 HIS A 105 12.664 22.266 2.201 1.00 0.00 H new ATOM 1688 N HIS A 106 6.231 23.114 -1.677 1.00 0.00 N ATOM 1689 CA HIS A 106 4.896 23.508 -2.215 1.00 0.00 C ATOM 1690 C HIS A 106 4.567 24.960 -1.845 1.00 0.00 C ATOM 1691 O HIS A 106 5.192 25.556 -0.992 1.00 0.00 O ATOM 1692 CB HIS A 106 3.836 22.580 -1.625 1.00 0.00 C ATOM 1693 CG HIS A 106 2.520 22.829 -2.301 1.00 0.00 C ATOM 1694 ND1 HIS A 106 1.668 23.846 -1.902 1.00 0.00 N ATOM 1695 CD2 HIS A 106 1.894 22.201 -3.347 1.00 0.00 C ATOM 1696 CE1 HIS A 106 0.585 23.799 -2.698 1.00 0.00 C ATOM 1697 NE2 HIS A 106 0.671 22.815 -3.597 1.00 0.00 N ATOM 0 H HIS A 106 6.216 22.328 -1.027 1.00 0.00 H new ATOM 0 HA HIS A 106 4.911 23.426 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 106 4.134 21.540 -1.757 1.00 0.00 H new ATOM 0 HB3 HIS A 106 3.744 22.751 -0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 106 2.290 21.358 -3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.253 24.475 -2.620 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -0.012 22.567 -4.312 1.00 0.00 H new ATOM 1705 N HIS A 107 3.583 25.528 -2.493 1.00 0.00 N ATOM 1706 CA HIS A 107 3.192 26.941 -2.204 1.00 0.00 C ATOM 1707 C HIS A 107 4.436 27.831 -2.235 1.00 0.00 C ATOM 1708 O HIS A 107 4.428 28.948 -1.758 1.00 0.00 O ATOM 1709 CB HIS A 107 2.526 27.026 -0.828 1.00 0.00 C ATOM 1710 CG HIS A 107 2.070 28.438 -0.581 1.00 0.00 C ATOM 1711 ND1 HIS A 107 0.979 28.989 -1.239 1.00 0.00 N ATOM 1712 CD2 HIS A 107 2.547 29.428 0.244 1.00 0.00 C ATOM 1713 CE1 HIS A 107 0.838 30.254 -0.803 1.00 0.00 C ATOM 1714 NE2 HIS A 107 1.767 30.573 0.102 1.00 0.00 N ATOM 0 H HIS A 107 3.029 25.070 -3.216 1.00 0.00 H new ATOM 0 HA HIS A 107 2.485 27.282 -2.961 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.677 26.344 -0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.227 26.717 -0.053 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.398 29.333 0.903 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.067 30.929 -1.143 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.881 31.464 0.585 1.00 0.00 H new ATOM 1722 N HIS A 108 5.501 27.339 -2.808 1.00 0.00 N ATOM 1723 CA HIS A 108 6.764 28.134 -2.900 1.00 0.00 C ATOM 1724 C HIS A 108 7.014 28.898 -1.593 1.00 0.00 C ATOM 1725 O HIS A 108 7.065 28.322 -0.523 1.00 0.00 O ATOM 1726 CB HIS A 108 6.647 29.137 -4.053 1.00 0.00 C ATOM 1727 CG HIS A 108 6.398 28.401 -5.340 1.00 0.00 C ATOM 1728 ND1 HIS A 108 7.385 27.661 -5.975 1.00 0.00 N ATOM 1729 CD2 HIS A 108 5.280 28.289 -6.129 1.00 0.00 C ATOM 1730 CE1 HIS A 108 6.844 27.143 -7.094 1.00 0.00 C ATOM 1731 NE2 HIS A 108 5.564 27.494 -7.235 1.00 0.00 N ATOM 0 H HIS A 108 5.552 26.408 -3.222 1.00 0.00 H new ATOM 0 HA HIS A 108 7.596 27.453 -3.077 1.00 0.00 H new ATOM 0 HB2 HIS A 108 5.833 29.836 -3.859 1.00 0.00 H new ATOM 0 HB3 HIS A 108 7.561 29.726 -4.130 1.00 0.00 H new ATOM 0 HD2 HIS A 108 4.325 28.748 -5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 108 7.381 26.519 -7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.930 27.235 -7.991 1.00 0.00 H new ATOM 1739 N HIS A 109 7.170 30.191 -1.679 1.00 0.00 N ATOM 1740 CA HIS A 109 7.418 31.005 -0.457 1.00 0.00 C ATOM 1741 C HIS A 109 7.395 32.490 -0.829 1.00 0.00 C ATOM 1742 O HIS A 109 6.597 33.214 -0.255 1.00 0.00 O ATOM 1743 CB HIS A 109 8.788 30.650 0.123 1.00 0.00 C ATOM 1744 CG HIS A 109 9.053 31.502 1.332 1.00 0.00 C ATOM 1745 ND1 HIS A 109 8.328 31.367 2.505 1.00 0.00 N ATOM 1746 CD2 HIS A 109 9.959 32.508 1.564 1.00 0.00 C ATOM 1747 CE1 HIS A 109 8.804 32.269 3.382 1.00 0.00 C ATOM 1748 NE2 HIS A 109 9.800 32.991 2.859 1.00 0.00 N ATOM 1749 OXT HIS A 109 8.178 32.879 -1.680 1.00 0.00 O ATOM 0 H HIS A 109 7.136 30.721 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 109 6.645 30.798 0.283 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.818 29.595 0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.564 30.809 -0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.684 32.869 0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.427 32.395 4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.330 33.736 3.312 1.00 0.00 H new TER 1757 HIS A 109