USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 669 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 31 THR OG1 : rot -176:sc= -0.185 USER MOD Set 1.2: A 43 GLN : amide:sc= -0.687 K(o=-2.5,f=-4.5) USER MOD Set 1.3: A 45 HIS :FLIP no HD1:sc= -1.61 F(o=-3,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= -0.71 (180deg=-2.18!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 7 THR OG1 : rot -5:sc= 0.482 USER MOD Single : A 8 MET CE :methyl -172:sc= -0.578 (180deg=-0.698) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.46! USER MOD Single : A 41 LYS NZ :NH3+ -141:sc= -0.304 (180deg=-0.475) USER MOD Single : A 48 CYS SG : rot 42:sc= 0.14 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 58:sc= -0.292 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0718 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.821 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0445) USER MOD Single : A 67 HIS : no HE2:sc= -2.4 K(o=-2.4,f=-7.3!) USER MOD Single : A 78 GLN : amide:sc= -4.18! C(o=-4.2!,f=-7.6!) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.324 F(o=-0.97,f=-0.32) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -0.139 F(o=-0.92,f=-0.14) USER MOD Single : A 86 HIS : no HD1:sc= -0.843 K(o=-0.84,f=-3.7!) USER MOD Single : A 87 HIS : no HD1:sc= -0.0912 K(o=-0.091,f=-4.3!) USER MOD Single : A 88 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.139 -18.503 -0.719 1.00 0.00 N ATOM 2 CA MET A 1 14.347 -19.640 -1.266 1.00 0.00 C ATOM 3 C MET A 1 12.967 -19.665 -0.604 1.00 0.00 C ATOM 4 O MET A 1 12.680 -20.533 0.222 1.00 0.00 O ATOM 5 CB MET A 1 15.090 -20.953 -0.990 1.00 0.00 C ATOM 6 CG MET A 1 14.530 -22.063 -1.885 1.00 0.00 C ATOM 7 SD MET A 1 14.613 -23.645 -1.010 1.00 0.00 S ATOM 8 CE MET A 1 15.979 -24.359 -1.960 1.00 0.00 C ATOM 0 H1 MET A 1 15.540 -17.950 -1.503 1.00 0.00 H new ATOM 0 H2 MET A 1 14.521 -17.893 -0.146 1.00 0.00 H new ATOM 0 H3 MET A 1 15.910 -18.871 -0.125 1.00 0.00 H new ATOM 0 HA MET A 1 14.221 -19.520 -2.342 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.156 -20.825 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.982 -21.229 0.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.498 -21.840 -2.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.099 -22.118 -2.813 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.203 -25.357 -1.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.696 -24.424 -3.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.861 -23.727 -1.860 1.00 0.00 H new ATOM 20 N PRO A 2 12.112 -18.736 -0.954 1.00 0.00 N ATOM 21 CA PRO A 2 10.735 -18.653 -0.390 1.00 0.00 C ATOM 22 C PRO A 2 9.825 -19.729 -0.975 1.00 0.00 C ATOM 23 O PRO A 2 9.813 -19.953 -2.186 1.00 0.00 O ATOM 24 CB PRO A 2 10.242 -17.250 -0.774 1.00 0.00 C ATOM 25 CG PRO A 2 11.350 -16.587 -1.536 1.00 0.00 C ATOM 26 CD PRO A 2 12.358 -17.667 -1.924 1.00 0.00 C ATOM 0 HA PRO A 2 10.728 -18.816 0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.340 -17.312 -1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.988 -16.674 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.960 -16.091 -2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.827 -15.820 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.203 -18.011 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.382 -17.299 -1.863 1.00 0.00 H new ATOM 34 N THR A 3 9.071 -20.399 -0.106 1.00 0.00 N ATOM 35 CA THR A 3 8.169 -21.461 -0.543 1.00 0.00 C ATOM 36 C THR A 3 6.895 -20.883 -1.160 1.00 0.00 C ATOM 37 O THR A 3 6.595 -19.699 -1.002 1.00 0.00 O ATOM 38 CB THR A 3 7.813 -22.364 0.643 1.00 0.00 C ATOM 39 OG1 THR A 3 9.007 -22.783 1.288 1.00 0.00 O ATOM 40 CG2 THR A 3 7.044 -23.592 0.146 1.00 0.00 C ATOM 0 H THR A 3 9.067 -20.226 0.899 1.00 0.00 H new ATOM 0 HA THR A 3 8.679 -22.049 -1.306 1.00 0.00 H new ATOM 0 HB THR A 3 7.190 -21.810 1.346 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.783 -23.359 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.793 -24.231 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.128 -23.271 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.663 -24.148 -0.558 1.00 0.00 H new ATOM 48 N GLU A 4 6.155 -21.736 -1.869 1.00 0.00 N ATOM 49 CA GLU A 4 4.912 -21.326 -2.520 1.00 0.00 C ATOM 50 C GLU A 4 3.711 -21.590 -1.617 1.00 0.00 C ATOM 51 O GLU A 4 2.613 -21.871 -2.098 1.00 0.00 O ATOM 52 CB GLU A 4 4.740 -22.096 -3.833 1.00 0.00 C ATOM 53 CG GLU A 4 5.973 -21.886 -4.720 1.00 0.00 C ATOM 54 CD GLU A 4 5.939 -22.825 -5.929 1.00 0.00 C ATOM 55 OE1 GLU A 4 5.127 -23.739 -5.934 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.728 -22.615 -6.834 1.00 0.00 O ATOM 0 H GLU A 4 6.396 -22.717 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 4 4.967 -20.256 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.604 -23.158 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.844 -21.754 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.011 -20.851 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.878 -22.065 -4.140 1.00 0.00 H new ATOM 63 N ASN A 5 3.921 -21.478 -0.310 1.00 0.00 N ATOM 64 CA ASN A 5 2.837 -21.689 0.642 1.00 0.00 C ATOM 65 C ASN A 5 2.304 -20.338 1.107 1.00 0.00 C ATOM 66 O ASN A 5 1.102 -20.085 1.034 1.00 0.00 O ATOM 67 CB ASN A 5 3.316 -22.520 1.839 1.00 0.00 C ATOM 68 CG ASN A 5 2.438 -23.759 1.991 1.00 0.00 C ATOM 69 OD1 ASN A 5 1.235 -23.644 2.231 1.00 0.00 O ATOM 70 ND2 ASN A 5 2.968 -24.945 1.862 1.00 0.00 N ATOM 0 H ASN A 5 4.821 -21.245 0.111 1.00 0.00 H new ATOM 0 HA ASN A 5 2.036 -22.243 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.356 -22.815 1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.277 -21.921 2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.386 -25.777 1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.964 -25.040 1.663 1.00 0.00 H new ATOM 77 N PRO A 6 3.169 -19.458 1.551 1.00 0.00 N ATOM 78 CA PRO A 6 2.773 -18.099 1.995 1.00 0.00 C ATOM 79 C PRO A 6 2.611 -17.178 0.787 1.00 0.00 C ATOM 80 O PRO A 6 3.593 -16.662 0.254 1.00 0.00 O ATOM 81 CB PRO A 6 3.942 -17.638 2.885 1.00 0.00 C ATOM 82 CG PRO A 6 4.943 -18.757 2.887 1.00 0.00 C ATOM 83 CD PRO A 6 4.613 -19.645 1.690 1.00 0.00 C ATOM 0 HA PRO A 6 1.821 -18.085 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.386 -16.721 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.598 -17.423 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.958 -18.368 2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.887 -19.324 3.816 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.151 -19.336 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.872 -20.688 1.874 1.00 0.00 H new ATOM 91 N THR A 7 1.372 -16.996 0.341 1.00 0.00 N ATOM 92 CA THR A 7 1.110 -16.158 -0.826 1.00 0.00 C ATOM 93 C THR A 7 1.331 -14.682 -0.500 1.00 0.00 C ATOM 94 O THR A 7 1.633 -14.325 0.640 1.00 0.00 O ATOM 95 CB THR A 7 -0.329 -16.371 -1.310 1.00 0.00 C ATOM 96 OG1 THR A 7 -1.230 -16.092 -0.248 1.00 0.00 O ATOM 97 CG2 THR A 7 -0.510 -17.821 -1.768 1.00 0.00 C ATOM 0 H THR A 7 0.542 -17.412 0.763 1.00 0.00 H new ATOM 0 HA THR A 7 1.806 -16.445 -1.615 1.00 0.00 H new ATOM 0 HB THR A 7 -0.533 -15.702 -2.146 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.724 -15.910 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.534 -17.969 -2.111 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.181 -18.034 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.306 -18.494 -0.935 1.00 0.00 H new ATOM 105 N MET A 8 1.183 -13.832 -1.517 1.00 0.00 N ATOM 106 CA MET A 8 1.370 -12.391 -1.352 1.00 0.00 C ATOM 107 C MET A 8 0.546 -11.855 -0.187 1.00 0.00 C ATOM 108 O MET A 8 1.081 -11.193 0.701 1.00 0.00 O ATOM 109 CB MET A 8 0.962 -11.660 -2.634 1.00 0.00 C ATOM 110 CG MET A 8 1.960 -11.978 -3.751 1.00 0.00 C ATOM 111 SD MET A 8 1.083 -12.090 -5.333 1.00 0.00 S ATOM 112 CE MET A 8 0.532 -10.367 -5.427 1.00 0.00 C ATOM 0 H MET A 8 0.934 -14.117 -2.464 1.00 0.00 H new ATOM 0 HA MET A 8 2.425 -12.215 -1.142 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.041 -11.963 -2.933 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.931 -10.585 -2.457 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.725 -11.203 -3.801 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.471 -12.917 -3.540 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.154 -10.250 -6.266 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.023 -10.097 -4.502 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.395 -9.716 -5.570 1.00 0.00 H new ATOM 122 N PHE A 9 -0.756 -12.139 -0.204 1.00 0.00 N ATOM 123 CA PHE A 9 -1.658 -11.677 0.851 1.00 0.00 C ATOM 124 C PHE A 9 -0.957 -11.701 2.207 1.00 0.00 C ATOM 125 O PHE A 9 -1.000 -10.725 2.953 1.00 0.00 O ATOM 126 CB PHE A 9 -2.904 -12.569 0.895 1.00 0.00 C ATOM 127 CG PHE A 9 -3.977 -11.918 1.740 1.00 0.00 C ATOM 128 CD1 PHE A 9 -3.941 -12.033 3.137 1.00 0.00 C ATOM 129 CD2 PHE A 9 -5.014 -11.204 1.124 1.00 0.00 C ATOM 130 CE1 PHE A 9 -4.939 -11.434 3.916 1.00 0.00 C ATOM 131 CE2 PHE A 9 -6.011 -10.605 1.903 1.00 0.00 C ATOM 132 CZ PHE A 9 -5.973 -10.720 3.299 1.00 0.00 C ATOM 0 H PHE A 9 -1.209 -12.686 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.953 -10.651 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.277 -12.737 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.648 -13.545 1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.143 -12.584 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.044 -11.116 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.911 -11.523 4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.809 -10.054 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.742 -10.257 3.900 1.00 0.00 H new ATOM 142 N ASP A 10 -0.302 -12.817 2.508 1.00 0.00 N ATOM 143 CA ASP A 10 0.420 -12.959 3.769 1.00 0.00 C ATOM 144 C ASP A 10 1.476 -11.863 3.907 1.00 0.00 C ATOM 145 O ASP A 10 1.533 -11.161 4.916 1.00 0.00 O ATOM 146 CB ASP A 10 1.100 -14.330 3.830 1.00 0.00 C ATOM 147 CG ASP A 10 0.067 -15.437 3.635 1.00 0.00 C ATOM 148 OD1 ASP A 10 -0.250 -15.731 2.494 1.00 0.00 O ATOM 149 OD2 ASP A 10 -0.391 -15.976 4.630 1.00 0.00 O ATOM 0 H ASP A 10 -0.256 -13.634 1.899 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.294 -12.869 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.868 -14.398 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.600 -14.454 4.790 1.00 0.00 H new ATOM 154 N GLN A 11 2.310 -11.735 2.880 1.00 0.00 N ATOM 155 CA GLN A 11 3.380 -10.738 2.868 1.00 0.00 C ATOM 156 C GLN A 11 2.836 -9.326 2.977 1.00 0.00 C ATOM 157 O GLN A 11 3.044 -8.655 3.981 1.00 0.00 O ATOM 158 CB GLN A 11 4.177 -10.859 1.570 1.00 0.00 C ATOM 159 CG GLN A 11 5.664 -11.042 1.887 1.00 0.00 C ATOM 160 CD GLN A 11 6.448 -11.259 0.595 1.00 0.00 C ATOM 161 OE1 GLN A 11 6.026 -10.713 -0.513 1.00 0.00 O flip ATOM 162 NE2 GLN A 11 7.469 -11.945 0.596 1.00 0.00 N flip ATOM 0 H GLN A 11 2.266 -12.312 2.040 1.00 0.00 H new ATOM 0 HA GLN A 11 4.018 -10.929 3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.814 -11.705 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.033 -9.967 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.044 -10.164 2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.801 -11.894 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.797 -12.371 1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.988 -12.088 -0.270 1.00 0.00 H new ATOM 171 N VAL A 12 2.160 -8.875 1.929 1.00 0.00 N ATOM 172 CA VAL A 12 1.614 -7.526 1.910 1.00 0.00 C ATOM 173 C VAL A 12 0.902 -7.237 3.216 1.00 0.00 C ATOM 174 O VAL A 12 1.193 -6.245 3.882 1.00 0.00 O ATOM 175 CB VAL A 12 0.654 -7.370 0.724 1.00 0.00 C ATOM 176 CG1 VAL A 12 1.206 -8.158 -0.451 1.00 0.00 C ATOM 177 CG2 VAL A 12 -0.734 -7.919 1.062 1.00 0.00 C ATOM 0 H VAL A 12 1.978 -9.420 1.086 1.00 0.00 H new ATOM 0 HA VAL A 12 2.428 -6.810 1.795 1.00 0.00 H new ATOM 0 HB VAL A 12 0.565 -6.310 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.535 -8.058 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.190 -7.773 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.290 -9.210 -0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.393 -7.795 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.656 -8.978 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.142 -7.376 1.914 1.00 0.00 H new ATOM 187 N ALA A 13 -0.013 -8.120 3.590 1.00 0.00 N ATOM 188 CA ALA A 13 -0.735 -7.947 4.830 1.00 0.00 C ATOM 189 C ALA A 13 0.252 -7.715 5.966 1.00 0.00 C ATOM 190 O ALA A 13 0.113 -6.776 6.749 1.00 0.00 O ATOM 191 CB ALA A 13 -1.589 -9.181 5.126 1.00 0.00 C ATOM 0 H ALA A 13 -0.267 -8.951 3.056 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.393 -7.083 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.127 -9.035 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.304 -9.331 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.946 -10.057 5.209 1.00 0.00 H new ATOM 197 N GLU A 14 1.260 -8.586 6.034 1.00 0.00 N ATOM 198 CA GLU A 14 2.293 -8.491 7.067 1.00 0.00 C ATOM 199 C GLU A 14 3.089 -7.198 6.932 1.00 0.00 C ATOM 200 O GLU A 14 3.233 -6.440 7.892 1.00 0.00 O ATOM 201 CB GLU A 14 3.247 -9.687 6.963 1.00 0.00 C ATOM 202 CG GLU A 14 4.299 -9.617 8.080 1.00 0.00 C ATOM 203 CD GLU A 14 5.424 -8.653 7.699 1.00 0.00 C ATOM 204 OE1 GLU A 14 5.927 -8.764 6.592 1.00 0.00 O ATOM 205 OE2 GLU A 14 5.768 -7.820 8.521 1.00 0.00 O ATOM 0 H GLU A 14 1.383 -9.365 5.387 1.00 0.00 H new ATOM 0 HA GLU A 14 1.799 -8.495 8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.686 -10.618 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.737 -9.688 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.831 -9.290 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.710 -10.610 8.263 1.00 0.00 H new ATOM 212 N VAL A 15 3.627 -6.974 5.737 1.00 0.00 N ATOM 213 CA VAL A 15 4.441 -5.793 5.471 1.00 0.00 C ATOM 214 C VAL A 15 3.671 -4.509 5.778 1.00 0.00 C ATOM 215 O VAL A 15 4.142 -3.668 6.542 1.00 0.00 O ATOM 216 CB VAL A 15 4.890 -5.791 4.003 1.00 0.00 C ATOM 217 CG1 VAL A 15 5.738 -4.551 3.733 1.00 0.00 C ATOM 218 CG2 VAL A 15 5.725 -7.043 3.708 1.00 0.00 C ATOM 0 H VAL A 15 3.514 -7.596 4.936 1.00 0.00 H new ATOM 0 HA VAL A 15 5.315 -5.829 6.122 1.00 0.00 H new ATOM 0 HB VAL A 15 4.008 -5.785 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.057 -4.549 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.149 -3.656 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.614 -4.561 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.039 -7.033 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.605 -7.054 4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.125 -7.933 3.898 1.00 0.00 H new ATOM 228 N ILE A 16 2.492 -4.361 5.179 1.00 0.00 N ATOM 229 CA ILE A 16 1.673 -3.169 5.396 1.00 0.00 C ATOM 230 C ILE A 16 1.481 -2.913 6.890 1.00 0.00 C ATOM 231 O ILE A 16 1.800 -1.833 7.390 1.00 0.00 O ATOM 232 CB ILE A 16 0.303 -3.341 4.732 1.00 0.00 C ATOM 233 CG1 ILE A 16 0.478 -3.511 3.217 1.00 0.00 C ATOM 234 CG2 ILE A 16 -0.562 -2.107 5.007 1.00 0.00 C ATOM 235 CD1 ILE A 16 -0.733 -4.252 2.643 1.00 0.00 C ATOM 0 H ILE A 16 2.083 -5.046 4.543 1.00 0.00 H new ATOM 0 HA ILE A 16 2.188 -2.317 4.952 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.183 -4.226 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.581 -2.536 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.392 -4.067 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.536 -2.232 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.694 -1.988 6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.072 -1.222 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.609 -4.373 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.815 -5.233 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.638 -3.678 2.842 1.00 0.00 H new ATOM 247 N GLU A 17 0.957 -3.917 7.591 1.00 0.00 N ATOM 248 CA GLU A 17 0.717 -3.808 9.029 1.00 0.00 C ATOM 249 C GLU A 17 1.967 -3.312 9.753 1.00 0.00 C ATOM 250 O GLU A 17 1.876 -2.606 10.758 1.00 0.00 O ATOM 251 CB GLU A 17 0.314 -5.176 9.590 1.00 0.00 C ATOM 252 CG GLU A 17 -1.170 -5.441 9.308 1.00 0.00 C ATOM 253 CD GLU A 17 -1.427 -6.944 9.192 1.00 0.00 C ATOM 254 OE1 GLU A 17 -0.955 -7.675 10.049 1.00 0.00 O ATOM 255 OE2 GLU A 17 -2.091 -7.341 8.249 1.00 0.00 O ATOM 0 H GLU A 17 0.691 -4.815 7.187 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.087 -3.090 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.924 -5.958 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.500 -5.207 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.780 -5.021 10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.467 -4.942 8.386 1.00 0.00 H new ATOM 262 N ARG A 18 3.131 -3.696 9.239 1.00 0.00 N ATOM 263 CA ARG A 18 4.399 -3.298 9.841 1.00 0.00 C ATOM 264 C ARG A 18 4.618 -1.786 9.728 1.00 0.00 C ATOM 265 O ARG A 18 4.828 -1.107 10.734 1.00 0.00 O ATOM 266 CB ARG A 18 5.553 -4.041 9.159 1.00 0.00 C ATOM 267 CG ARG A 18 6.816 -3.920 10.015 1.00 0.00 C ATOM 268 CD ARG A 18 7.987 -4.618 9.316 1.00 0.00 C ATOM 269 NE ARG A 18 9.256 -4.215 9.921 1.00 0.00 N ATOM 270 CZ ARG A 18 9.502 -4.390 11.220 1.00 0.00 C ATOM 271 NH1 ARG A 18 8.727 -5.148 11.948 1.00 0.00 N ATOM 272 NH2 ARG A 18 10.529 -3.800 11.767 1.00 0.00 N ATOM 0 H ARG A 18 3.223 -4.281 8.409 1.00 0.00 H new ATOM 0 HA ARG A 18 4.369 -3.559 10.899 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.293 -5.091 9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.732 -3.625 8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.054 -2.869 10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.647 -4.367 10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.870 -5.699 9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.987 -4.368 8.255 1.00 0.00 H new ATOM 0 HE ARG A 18 9.972 -3.788 9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.924 -5.613 11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.924 -5.275 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.138 -3.209 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.723 -3.930 12.760 1.00 0.00 H new ATOM 286 N LEU A 19 4.585 -1.271 8.499 1.00 0.00 N ATOM 287 CA LEU A 19 4.795 0.160 8.261 1.00 0.00 C ATOM 288 C LEU A 19 3.567 0.980 8.653 1.00 0.00 C ATOM 289 O LEU A 19 3.678 2.169 8.941 1.00 0.00 O ATOM 290 CB LEU A 19 5.098 0.396 6.778 1.00 0.00 C ATOM 291 CG LEU A 19 6.542 -0.010 6.467 1.00 0.00 C ATOM 292 CD1 LEU A 19 6.641 -0.464 5.006 1.00 0.00 C ATOM 293 CD2 LEU A 19 7.470 1.188 6.690 1.00 0.00 C ATOM 0 H LEU A 19 4.416 -1.819 7.655 1.00 0.00 H new ATOM 0 HA LEU A 19 5.635 0.480 8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.409 -0.181 6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.945 1.446 6.530 1.00 0.00 H new ATOM 0 HG LEU A 19 6.838 -0.827 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.668 -0.753 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.981 -1.316 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.344 0.354 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.497 0.899 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.173 2.005 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.400 1.514 7.728 1.00 0.00 H new ATOM 305 N ARG A 20 2.402 0.336 8.646 1.00 0.00 N ATOM 306 CA ARG A 20 1.144 1.002 8.985 1.00 0.00 C ATOM 307 C ARG A 20 1.335 2.048 10.091 1.00 0.00 C ATOM 308 O ARG A 20 1.061 3.230 9.880 1.00 0.00 O ATOM 309 CB ARG A 20 0.102 -0.045 9.404 1.00 0.00 C ATOM 310 CG ARG A 20 -1.023 0.621 10.202 1.00 0.00 C ATOM 311 CD ARG A 20 -2.297 -0.222 10.095 1.00 0.00 C ATOM 312 NE ARG A 20 -2.106 -1.515 10.744 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.024 -2.012 11.570 1.00 0.00 C ATOM 314 NH1 ARG A 20 -3.389 -1.334 12.623 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.559 -3.176 11.327 1.00 0.00 N ATOM 0 H ARG A 20 2.302 -0.651 8.408 1.00 0.00 H new ATOM 0 HA ARG A 20 0.789 1.531 8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.309 -0.534 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.576 -0.820 10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.730 0.724 11.247 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.207 1.626 9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.130 0.306 10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.557 -0.369 9.047 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.255 -2.047 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.971 -0.423 12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.092 -1.715 13.256 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.274 -3.706 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.262 -3.556 11.960 1.00 0.00 H new ATOM 329 N PRO A 21 1.796 1.646 11.253 1.00 0.00 N ATOM 330 CA PRO A 21 2.028 2.575 12.398 1.00 0.00 C ATOM 331 C PRO A 21 2.727 3.862 11.966 1.00 0.00 C ATOM 332 O PRO A 21 2.439 4.940 12.486 1.00 0.00 O ATOM 333 CB PRO A 21 2.910 1.777 13.372 1.00 0.00 C ATOM 334 CG PRO A 21 3.146 0.435 12.750 1.00 0.00 C ATOM 335 CD PRO A 21 2.144 0.270 11.610 1.00 0.00 C ATOM 0 HA PRO A 21 1.087 2.896 12.845 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.854 2.292 13.548 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.419 1.673 14.340 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.167 0.361 12.376 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.019 -0.357 13.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.581 -0.264 10.767 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.268 -0.296 11.926 1.00 0.00 H new ATOM 343 N PHE A 22 3.647 3.738 11.011 1.00 0.00 N ATOM 344 CA PHE A 22 4.381 4.896 10.515 1.00 0.00 C ATOM 345 C PHE A 22 3.508 5.716 9.570 1.00 0.00 C ATOM 346 O PHE A 22 3.461 6.944 9.661 1.00 0.00 O ATOM 347 CB PHE A 22 5.646 4.444 9.778 1.00 0.00 C ATOM 348 CG PHE A 22 6.643 3.898 10.773 1.00 0.00 C ATOM 349 CD1 PHE A 22 7.551 4.762 11.398 1.00 0.00 C ATOM 350 CD2 PHE A 22 6.661 2.529 11.072 1.00 0.00 C ATOM 351 CE1 PHE A 22 8.474 4.259 12.321 1.00 0.00 C ATOM 352 CE2 PHE A 22 7.585 2.028 11.996 1.00 0.00 C ATOM 353 CZ PHE A 22 8.491 2.892 12.621 1.00 0.00 C ATOM 0 H PHE A 22 3.899 2.854 10.569 1.00 0.00 H new ATOM 0 HA PHE A 22 4.661 5.515 11.367 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.397 3.681 9.041 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.081 5.282 9.234 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.539 5.817 11.167 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.962 1.861 10.590 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.174 4.926 12.802 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.599 0.973 12.227 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.203 2.504 13.335 1.00 0.00 H new ATOM 363 N LEU A 23 2.819 5.027 8.664 1.00 0.00 N ATOM 364 CA LEU A 23 1.950 5.698 7.704 1.00 0.00 C ATOM 365 C LEU A 23 0.846 6.466 8.426 1.00 0.00 C ATOM 366 O LEU A 23 0.582 7.620 8.114 1.00 0.00 O ATOM 367 CB LEU A 23 1.323 4.674 6.748 1.00 0.00 C ATOM 368 CG LEU A 23 2.282 4.389 5.585 1.00 0.00 C ATOM 369 CD1 LEU A 23 3.558 3.731 6.116 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.605 3.444 4.587 1.00 0.00 C ATOM 0 H LEU A 23 2.846 4.011 8.575 1.00 0.00 H new ATOM 0 HA LEU A 23 2.554 6.401 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.103 3.751 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.376 5.054 6.365 1.00 0.00 H new ATOM 0 HG LEU A 23 2.536 5.327 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.236 3.530 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.043 4.399 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.305 2.794 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.285 3.240 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.351 2.509 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.697 3.909 4.204 1.00 0.00 H new ATOM 382 N LEU A 24 0.200 5.811 9.385 1.00 0.00 N ATOM 383 CA LEU A 24 -0.882 6.440 10.139 1.00 0.00 C ATOM 384 C LEU A 24 -0.420 7.746 10.783 1.00 0.00 C ATOM 385 O LEU A 24 -1.041 8.795 10.601 1.00 0.00 O ATOM 386 CB LEU A 24 -1.377 5.482 11.228 1.00 0.00 C ATOM 387 CG LEU A 24 -2.902 5.562 11.344 1.00 0.00 C ATOM 388 CD1 LEU A 24 -3.403 4.427 12.241 1.00 0.00 C ATOM 389 CD2 LEU A 24 -3.304 6.909 11.954 1.00 0.00 C ATOM 0 H LEU A 24 0.404 4.850 9.659 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.692 6.666 9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.075 4.462 10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.918 5.736 12.183 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.345 5.469 10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.488 4.482 12.325 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.121 3.468 11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.957 4.522 13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.390 6.962 12.035 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.861 7.006 12.945 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.948 7.718 11.316 1.00 0.00 H new ATOM 401 N ARG A 25 0.660 7.663 11.548 1.00 0.00 N ATOM 402 CA ARG A 25 1.202 8.827 12.247 1.00 0.00 C ATOM 403 C ARG A 25 1.534 9.984 11.295 1.00 0.00 C ATOM 404 O ARG A 25 1.325 11.147 11.642 1.00 0.00 O ATOM 405 CB ARG A 25 2.467 8.422 13.008 1.00 0.00 C ATOM 406 CG ARG A 25 2.094 7.527 14.197 1.00 0.00 C ATOM 407 CD ARG A 25 1.799 8.392 15.423 1.00 0.00 C ATOM 408 NE ARG A 25 3.038 8.969 15.936 1.00 0.00 N ATOM 409 CZ ARG A 25 3.056 10.162 16.525 1.00 0.00 C ATOM 410 NH1 ARG A 25 2.795 11.238 15.831 1.00 0.00 N ATOM 411 NH2 ARG A 25 3.341 10.258 17.794 1.00 0.00 N ATOM 0 H ARG A 25 1.182 6.800 11.702 1.00 0.00 H new ATOM 0 HA ARG A 25 0.433 9.178 12.935 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.149 7.893 12.343 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.991 9.311 13.360 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.222 6.922 13.949 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.909 6.837 14.415 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.100 9.186 15.159 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.321 7.791 16.196 1.00 0.00 H new ATOM 0 HE ARG A 25 3.909 8.446 15.841 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.577 11.164 14.837 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.809 12.152 16.283 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.550 9.419 18.335 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.355 11.172 18.246 1.00 0.00 H new ATOM 425 N ASP A 26 2.077 9.670 10.119 1.00 0.00 N ATOM 426 CA ASP A 26 2.461 10.714 9.163 1.00 0.00 C ATOM 427 C ASP A 26 1.406 10.916 8.072 1.00 0.00 C ATOM 428 O ASP A 26 0.909 12.027 7.887 1.00 0.00 O ATOM 429 CB ASP A 26 3.805 10.345 8.515 1.00 0.00 C ATOM 430 CG ASP A 26 4.380 11.525 7.722 1.00 0.00 C ATOM 431 OD1 ASP A 26 3.662 12.487 7.497 1.00 0.00 O ATOM 432 OD2 ASP A 26 5.539 11.444 7.347 1.00 0.00 O ATOM 0 H ASP A 26 2.260 8.716 9.806 1.00 0.00 H new ATOM 0 HA ASP A 26 2.548 11.650 9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.513 10.042 9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.670 9.490 7.853 1.00 0.00 H new ATOM 437 N GLY A 27 1.081 9.851 7.340 1.00 0.00 N ATOM 438 CA GLY A 27 0.102 9.952 6.258 1.00 0.00 C ATOM 439 C GLY A 27 -1.288 9.487 6.691 1.00 0.00 C ATOM 440 O GLY A 27 -2.171 10.307 6.944 1.00 0.00 O ATOM 0 H GLY A 27 1.475 8.920 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.047 10.985 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.436 9.353 5.411 1.00 0.00 H new ATOM 444 N GLY A 28 -1.479 8.171 6.767 1.00 0.00 N ATOM 445 CA GLY A 28 -2.772 7.616 7.163 1.00 0.00 C ATOM 446 C GLY A 28 -2.710 6.095 7.264 1.00 0.00 C ATOM 447 O GLY A 28 -1.633 5.517 7.416 1.00 0.00 O ATOM 0 H GLY A 28 -0.762 7.475 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.072 8.035 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.533 7.905 6.437 1.00 0.00 H new ATOM 451 N ASP A 29 -3.873 5.451 7.183 1.00 0.00 N ATOM 452 CA ASP A 29 -3.943 3.995 7.276 1.00 0.00 C ATOM 453 C ASP A 29 -4.279 3.383 5.916 1.00 0.00 C ATOM 454 O ASP A 29 -5.110 3.911 5.177 1.00 0.00 O ATOM 455 CB ASP A 29 -5.011 3.595 8.299 1.00 0.00 C ATOM 456 CG ASP A 29 -4.806 2.152 8.757 1.00 0.00 C ATOM 457 OD1 ASP A 29 -4.715 1.283 7.906 1.00 0.00 O ATOM 458 OD2 ASP A 29 -4.748 1.936 9.956 1.00 0.00 O ATOM 0 H ASP A 29 -4.774 5.911 7.054 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.971 3.620 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.967 4.264 9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.002 3.705 7.859 1.00 0.00 H new ATOM 463 N CYS A 30 -3.628 2.262 5.599 1.00 0.00 N ATOM 464 CA CYS A 30 -3.862 1.572 4.331 1.00 0.00 C ATOM 465 C CYS A 30 -4.626 0.271 4.570 1.00 0.00 C ATOM 466 O CYS A 30 -4.590 -0.282 5.670 1.00 0.00 O ATOM 467 CB CYS A 30 -2.523 1.268 3.649 1.00 0.00 C ATOM 468 SG CYS A 30 -2.764 0.028 2.351 1.00 0.00 S ATOM 0 H CYS A 30 -2.937 1.815 6.201 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.457 2.217 3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.107 2.180 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.805 0.904 4.384 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.626 -0.224 1.775 1.00 0.00 H new ATOM 474 N THR A 31 -5.319 -0.211 3.540 1.00 0.00 N ATOM 475 CA THR A 31 -6.087 -1.449 3.660 1.00 0.00 C ATOM 476 C THR A 31 -6.158 -2.174 2.319 1.00 0.00 C ATOM 477 O THR A 31 -6.685 -1.641 1.342 1.00 0.00 O ATOM 478 CB THR A 31 -7.511 -1.141 4.147 1.00 0.00 C ATOM 479 OG1 THR A 31 -7.459 -0.196 5.207 1.00 0.00 O ATOM 480 CG2 THR A 31 -8.175 -2.428 4.644 1.00 0.00 C ATOM 0 H THR A 31 -5.365 0.231 2.622 1.00 0.00 H new ATOM 0 HA THR A 31 -5.584 -2.091 4.383 1.00 0.00 H new ATOM 0 HB THR A 31 -8.092 -0.729 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.362 -0.048 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.185 -2.207 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.220 -3.152 3.830 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.593 -2.843 5.467 1.00 0.00 H new ATOM 488 N LEU A 32 -5.632 -3.396 2.284 1.00 0.00 N ATOM 489 CA LEU A 32 -5.652 -4.191 1.060 1.00 0.00 C ATOM 490 C LEU A 32 -7.083 -4.619 0.746 1.00 0.00 C ATOM 491 O LEU A 32 -7.680 -5.402 1.485 1.00 0.00 O ATOM 492 CB LEU A 32 -4.763 -5.430 1.224 1.00 0.00 C ATOM 493 CG LEU A 32 -4.397 -5.993 -0.155 1.00 0.00 C ATOM 494 CD1 LEU A 32 -3.117 -5.322 -0.662 1.00 0.00 C ATOM 495 CD2 LEU A 32 -4.172 -7.506 -0.050 1.00 0.00 C ATOM 0 H LEU A 32 -5.191 -3.854 3.082 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.269 -3.587 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.858 -5.169 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.284 -6.188 1.810 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.211 -5.794 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.859 -5.724 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.277 -4.247 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.303 -5.517 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.912 -7.904 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.360 -7.705 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.084 -7.986 0.306 1.00 0.00 H new ATOM 507 N VAL A 33 -7.630 -4.090 -0.345 1.00 0.00 N ATOM 508 CA VAL A 33 -9.000 -4.415 -0.738 1.00 0.00 C ATOM 509 C VAL A 33 -9.063 -5.776 -1.427 1.00 0.00 C ATOM 510 O VAL A 33 -9.943 -6.585 -1.128 1.00 0.00 O ATOM 511 CB VAL A 33 -9.552 -3.329 -1.674 1.00 0.00 C ATOM 512 CG1 VAL A 33 -10.905 -3.769 -2.242 1.00 0.00 C ATOM 513 CG2 VAL A 33 -9.734 -2.024 -0.892 1.00 0.00 C ATOM 0 H VAL A 33 -7.152 -3.440 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.611 -4.458 0.164 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.849 -3.173 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.291 -2.994 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.781 -4.696 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.608 -3.930 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.126 -1.253 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.433 -2.186 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.773 -1.703 -0.491 1.00 0.00 H new ATOM 523 N ASP A 34 -8.136 -6.026 -2.350 1.00 0.00 N ATOM 524 CA ASP A 34 -8.123 -7.297 -3.066 1.00 0.00 C ATOM 525 C ASP A 34 -6.810 -7.486 -3.817 1.00 0.00 C ATOM 526 O ASP A 34 -6.254 -6.534 -4.366 1.00 0.00 O ATOM 527 CB ASP A 34 -9.286 -7.341 -4.064 1.00 0.00 C ATOM 528 CG ASP A 34 -9.640 -8.789 -4.407 1.00 0.00 C ATOM 529 OD1 ASP A 34 -8.779 -9.486 -4.920 1.00 0.00 O ATOM 530 OD2 ASP A 34 -10.769 -9.178 -4.155 1.00 0.00 O ATOM 0 H ASP A 34 -7.396 -5.376 -2.616 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.228 -8.100 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.156 -6.838 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.015 -6.801 -4.972 1.00 0.00 H new ATOM 535 N VAL A 35 -6.331 -8.727 -3.846 1.00 0.00 N ATOM 536 CA VAL A 35 -5.093 -9.045 -4.544 1.00 0.00 C ATOM 537 C VAL A 35 -5.394 -9.888 -5.783 1.00 0.00 C ATOM 538 O VAL A 35 -6.071 -10.913 -5.699 1.00 0.00 O ATOM 539 CB VAL A 35 -4.129 -9.794 -3.609 1.00 0.00 C ATOM 540 CG1 VAL A 35 -4.638 -11.217 -3.348 1.00 0.00 C ATOM 541 CG2 VAL A 35 -2.743 -9.857 -4.257 1.00 0.00 C ATOM 0 H VAL A 35 -6.781 -9.524 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.617 -8.116 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.070 -9.262 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.946 -11.735 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.622 -11.172 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.709 -11.757 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.057 -10.387 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.810 -10.383 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.374 -8.845 -4.427 1.00 0.00 H new ATOM 551 N GLU A 36 -4.890 -9.446 -6.932 1.00 0.00 N ATOM 552 CA GLU A 36 -5.111 -10.165 -8.183 1.00 0.00 C ATOM 553 C GLU A 36 -3.968 -9.900 -9.153 1.00 0.00 C ATOM 554 O GLU A 36 -3.940 -8.865 -9.817 1.00 0.00 O ATOM 555 CB GLU A 36 -6.439 -9.735 -8.818 1.00 0.00 C ATOM 556 CG GLU A 36 -6.908 -10.819 -9.792 1.00 0.00 C ATOM 557 CD GLU A 36 -8.044 -10.293 -10.666 1.00 0.00 C ATOM 558 OE1 GLU A 36 -9.081 -9.956 -10.120 1.00 0.00 O ATOM 559 OE2 GLU A 36 -7.860 -10.239 -11.872 1.00 0.00 O ATOM 0 H GLU A 36 -4.329 -8.599 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.152 -11.232 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.190 -9.575 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.315 -8.788 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.076 -11.138 -10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.243 -11.695 -9.237 1.00 0.00 H new ATOM 566 N ASP A 37 -3.029 -10.842 -9.223 1.00 0.00 N ATOM 567 CA ASP A 37 -1.875 -10.714 -10.112 1.00 0.00 C ATOM 568 C ASP A 37 -1.161 -9.379 -9.884 1.00 0.00 C ATOM 569 O ASP A 37 -0.203 -9.304 -9.114 1.00 0.00 O ATOM 570 CB ASP A 37 -2.322 -10.830 -11.575 1.00 0.00 C ATOM 571 CG ASP A 37 -2.987 -12.184 -11.816 1.00 0.00 C ATOM 572 OD1 ASP A 37 -4.126 -12.345 -11.409 1.00 0.00 O ATOM 573 OD2 ASP A 37 -2.348 -13.039 -12.406 1.00 0.00 O ATOM 0 H ASP A 37 -3.044 -11.702 -8.675 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.176 -11.520 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.018 -10.026 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.463 -10.716 -12.236 1.00 0.00 H new ATOM 578 N GLY A 38 -1.641 -8.333 -10.556 1.00 0.00 N ATOM 579 CA GLY A 38 -1.054 -7.001 -10.423 1.00 0.00 C ATOM 580 C GLY A 38 -2.124 -5.949 -10.119 1.00 0.00 C ATOM 581 O GLY A 38 -1.804 -4.818 -9.751 1.00 0.00 O ATOM 0 H GLY A 38 -2.433 -8.382 -11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.310 -7.007 -9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.533 -6.737 -11.343 1.00 0.00 H new ATOM 585 N ILE A 39 -3.394 -6.332 -10.270 1.00 0.00 N ATOM 586 CA ILE A 39 -4.505 -5.417 -10.005 1.00 0.00 C ATOM 587 C ILE A 39 -4.833 -5.411 -8.514 1.00 0.00 C ATOM 588 O ILE A 39 -5.940 -5.764 -8.105 1.00 0.00 O ATOM 589 CB ILE A 39 -5.744 -5.824 -10.819 1.00 0.00 C ATOM 590 CG1 ILE A 39 -5.359 -5.990 -12.295 1.00 0.00 C ATOM 591 CG2 ILE A 39 -6.823 -4.737 -10.706 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.099 -7.466 -12.606 1.00 0.00 C ATOM 0 H ILE A 39 -3.677 -7.264 -10.573 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.208 -4.412 -10.307 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.130 -6.765 -10.428 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.158 -5.611 -12.932 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.469 -5.401 -12.515 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.698 -5.032 -11.285 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.105 -4.611 -9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.433 -3.795 -11.092 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.826 -7.574 -13.656 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.285 -7.832 -11.980 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.000 -8.045 -12.404 1.00 0.00 H new ATOM 604 N VAL A 40 -3.855 -5.013 -7.709 1.00 0.00 N ATOM 605 CA VAL A 40 -4.038 -4.965 -6.264 1.00 0.00 C ATOM 606 C VAL A 40 -4.751 -3.679 -5.853 1.00 0.00 C ATOM 607 O VAL A 40 -4.194 -2.583 -5.949 1.00 0.00 O ATOM 608 CB VAL A 40 -2.673 -5.062 -5.565 1.00 0.00 C ATOM 609 CG1 VAL A 40 -2.707 -4.328 -4.217 1.00 0.00 C ATOM 610 CG2 VAL A 40 -2.336 -6.536 -5.323 1.00 0.00 C ATOM 0 H VAL A 40 -2.932 -4.720 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.657 -5.810 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.917 -4.601 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.732 -4.407 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.947 -3.277 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.466 -4.778 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.368 -6.611 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.103 -6.986 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.297 -7.062 -6.277 1.00 0.00 H new ATOM 620 N LYS A 41 -5.984 -3.830 -5.386 1.00 0.00 N ATOM 621 CA LYS A 41 -6.772 -2.690 -4.941 1.00 0.00 C ATOM 622 C LYS A 41 -6.489 -2.420 -3.468 1.00 0.00 C ATOM 623 O LYS A 41 -6.550 -3.334 -2.646 1.00 0.00 O ATOM 624 CB LYS A 41 -8.264 -2.975 -5.150 1.00 0.00 C ATOM 625 CG LYS A 41 -8.526 -3.239 -6.638 1.00 0.00 C ATOM 626 CD LYS A 41 -10.006 -3.565 -6.861 1.00 0.00 C ATOM 627 CE LYS A 41 -10.249 -3.845 -8.348 1.00 0.00 C ATOM 628 NZ LYS A 41 -9.653 -5.162 -8.714 1.00 0.00 N ATOM 0 H LYS A 41 -6.458 -4.729 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.499 -1.810 -5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.568 -3.838 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.859 -2.128 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.245 -2.365 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.907 -4.067 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.292 -4.432 -6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.627 -2.732 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.319 -3.848 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.808 -3.054 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.219 -5.097 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.927 -5.420 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.397 -5.889 -8.725 1.00 0.00 H new ATOM 642 N LEU A 42 -6.168 -1.172 -3.137 1.00 0.00 N ATOM 643 CA LEU A 42 -5.871 -0.817 -1.752 1.00 0.00 C ATOM 644 C LEU A 42 -6.477 0.536 -1.393 1.00 0.00 C ATOM 645 O LEU A 42 -6.530 1.443 -2.222 1.00 0.00 O ATOM 646 CB LEU A 42 -4.351 -0.790 -1.525 1.00 0.00 C ATOM 647 CG LEU A 42 -3.738 0.473 -2.147 1.00 0.00 C ATOM 648 CD1 LEU A 42 -3.539 1.539 -1.065 1.00 0.00 C ATOM 649 CD2 LEU A 42 -2.383 0.127 -2.774 1.00 0.00 C ATOM 0 H LEU A 42 -6.107 -0.398 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.315 -1.574 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.136 -0.818 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.896 -1.677 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.410 0.858 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.104 2.433 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.502 1.788 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.870 1.155 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.947 1.023 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.715 -0.260 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.522 -0.628 -3.548 1.00 0.00 H new ATOM 661 N GLN A 43 -6.928 0.658 -0.149 1.00 0.00 N ATOM 662 CA GLN A 43 -7.523 1.904 0.325 1.00 0.00 C ATOM 663 C GLN A 43 -6.503 2.700 1.136 1.00 0.00 C ATOM 664 O GLN A 43 -5.471 2.166 1.543 1.00 0.00 O ATOM 665 CB GLN A 43 -8.753 1.600 1.190 1.00 0.00 C ATOM 666 CG GLN A 43 -9.657 2.836 1.253 1.00 0.00 C ATOM 667 CD GLN A 43 -11.003 2.474 1.877 1.00 0.00 C ATOM 668 OE1 GLN A 43 -11.469 3.159 2.786 1.00 0.00 O ATOM 669 NE2 GLN A 43 -11.661 1.435 1.439 1.00 0.00 N ATOM 0 H GLN A 43 -6.894 -0.087 0.547 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.829 2.497 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.303 0.756 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.442 1.313 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.175 3.619 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.809 3.236 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.274 0.867 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.562 1.191 1.851 1.00 0.00 H new ATOM 678 N LEU A 44 -6.800 3.978 1.366 1.00 0.00 N ATOM 679 CA LEU A 44 -5.894 4.835 2.131 1.00 0.00 C ATOM 680 C LEU A 44 -6.673 5.917 2.877 1.00 0.00 C ATOM 681 O LEU A 44 -7.068 6.926 2.293 1.00 0.00 O ATOM 682 CB LEU A 44 -4.881 5.491 1.187 1.00 0.00 C ATOM 683 CG LEU A 44 -3.717 6.082 1.994 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.605 5.039 2.138 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.172 7.313 1.264 1.00 0.00 C ATOM 0 H LEU A 44 -7.649 4.439 1.039 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.369 4.218 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.505 4.755 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.367 6.275 0.607 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.070 6.368 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.781 5.463 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.994 4.162 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.248 4.749 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.345 7.737 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.820 7.023 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.963 8.057 1.165 1.00 0.00 H new ATOM 697 N HIS A 45 -6.883 5.699 4.173 1.00 0.00 N ATOM 698 CA HIS A 45 -7.606 6.662 4.999 1.00 0.00 C ATOM 699 C HIS A 45 -6.691 7.820 5.385 1.00 0.00 C ATOM 700 O HIS A 45 -5.916 7.716 6.335 1.00 0.00 O ATOM 701 CB HIS A 45 -8.128 5.979 6.269 1.00 0.00 C ATOM 702 CG HIS A 45 -8.854 4.713 5.905 1.00 0.00 C ATOM 703 ND1 HIS A 45 -8.406 3.443 5.638 1.00 0.00 N flip ATOM 704 CD2 HIS A 45 -10.233 4.661 5.778 1.00 0.00 C flip ATOM 705 CE1 HIS A 45 -9.487 2.616 5.349 1.00 0.00 C flip ATOM 706 NE2 HIS A 45 -10.563 3.400 5.447 1.00 0.00 N flip ATOM 0 H HIS A 45 -6.564 4.868 4.672 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.448 7.048 4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.298 5.753 6.939 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.797 6.651 6.806 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -10.918 5.484 5.919 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.461 1.566 5.099 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -11.519 3.081 5.290 1.00 0.00 H new ATOM 714 N GLY A 46 -6.780 8.920 4.642 1.00 0.00 N ATOM 715 CA GLY A 46 -5.952 10.090 4.919 1.00 0.00 C ATOM 716 C GLY A 46 -6.397 10.784 6.204 1.00 0.00 C ATOM 717 O GLY A 46 -6.938 11.889 6.164 1.00 0.00 O ATOM 0 H GLY A 46 -7.413 9.026 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.908 9.789 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.013 10.789 4.085 1.00 0.00 H new ATOM 721 N ALA A 47 -6.164 10.123 7.339 1.00 0.00 N ATOM 722 CA ALA A 47 -6.538 10.666 8.644 1.00 0.00 C ATOM 723 C ALA A 47 -8.057 10.674 8.826 1.00 0.00 C ATOM 724 O ALA A 47 -8.559 10.263 9.872 1.00 0.00 O ATOM 725 CB ALA A 47 -5.988 12.087 8.811 1.00 0.00 C ATOM 0 H ALA A 47 -5.716 9.207 7.380 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.103 10.021 9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.276 12.476 9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.901 12.068 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.396 12.729 8.030 1.00 0.00 H new ATOM 731 N CYS A 48 -8.779 11.143 7.807 1.00 0.00 N ATOM 732 CA CYS A 48 -10.239 11.198 7.872 1.00 0.00 C ATOM 733 C CYS A 48 -10.837 11.444 6.483 1.00 0.00 C ATOM 734 O CYS A 48 -11.891 12.070 6.353 1.00 0.00 O ATOM 735 CB CYS A 48 -10.674 12.318 8.828 1.00 0.00 C ATOM 736 SG CYS A 48 -10.799 11.667 10.513 1.00 0.00 S ATOM 0 H CYS A 48 -8.380 11.488 6.934 1.00 0.00 H new ATOM 0 HA CYS A 48 -10.604 10.240 8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.955 13.136 8.796 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -11.635 12.726 8.513 1.00 0.00 H new ATOM 0 HG CYS A 48 -9.790 10.883 10.751 1.00 0.00 H new ATOM 742 N GLY A 49 -10.160 10.945 5.449 1.00 0.00 N ATOM 743 CA GLY A 49 -10.635 11.114 4.075 1.00 0.00 C ATOM 744 C GLY A 49 -9.871 12.230 3.367 1.00 0.00 C ATOM 745 O GLY A 49 -8.988 12.854 3.956 1.00 0.00 O ATOM 0 H GLY A 49 -9.287 10.424 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.513 10.180 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.700 11.344 4.080 1.00 0.00 H new ATOM 749 N THR A 50 -10.219 12.472 2.101 1.00 0.00 N ATOM 750 CA THR A 50 -9.563 13.516 1.311 1.00 0.00 C ATOM 751 C THR A 50 -9.338 14.776 2.151 1.00 0.00 C ATOM 752 O THR A 50 -10.294 15.423 2.577 1.00 0.00 O ATOM 753 CB THR A 50 -10.416 13.858 0.079 1.00 0.00 C ATOM 754 OG1 THR A 50 -9.813 14.932 -0.633 1.00 0.00 O ATOM 755 CG2 THR A 50 -11.828 14.264 0.512 1.00 0.00 C ATOM 0 H THR A 50 -10.948 11.962 1.603 1.00 0.00 H new ATOM 0 HA THR A 50 -8.593 13.139 0.986 1.00 0.00 H new ATOM 0 HB THR A 50 -10.479 12.980 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.356 15.149 -1.419 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.424 14.504 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.294 13.440 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.772 15.138 1.162 1.00 0.00 H new ATOM 763 N CYS A 51 -8.070 15.115 2.386 1.00 0.00 N ATOM 764 CA CYS A 51 -7.737 16.297 3.180 1.00 0.00 C ATOM 765 C CYS A 51 -6.221 16.493 3.269 1.00 0.00 C ATOM 766 O CYS A 51 -5.696 17.496 2.781 1.00 0.00 O ATOM 767 CB CYS A 51 -8.329 16.175 4.590 1.00 0.00 C ATOM 768 SG CYS A 51 -9.790 17.235 4.727 1.00 0.00 S ATOM 0 H CYS A 51 -7.264 14.593 2.042 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.168 17.166 2.683 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.598 15.139 4.794 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.586 16.464 5.334 1.00 0.00 H new ATOM 0 HG CYS A 51 -10.660 16.894 3.824 1.00 0.00 H new ATOM 774 N PRO A 52 -5.512 15.570 3.881 1.00 0.00 N ATOM 775 CA PRO A 52 -4.032 15.661 4.034 1.00 0.00 C ATOM 776 C PRO A 52 -3.343 16.085 2.741 1.00 0.00 C ATOM 777 O PRO A 52 -3.512 15.454 1.697 1.00 0.00 O ATOM 778 CB PRO A 52 -3.593 14.250 4.446 1.00 0.00 C ATOM 779 CG PRO A 52 -4.830 13.408 4.520 1.00 0.00 C ATOM 780 CD PRO A 52 -6.036 14.346 4.493 1.00 0.00 C ATOM 0 HA PRO A 52 -3.757 16.418 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.890 13.839 3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.083 14.271 5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.869 12.712 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.831 12.810 5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.856 13.927 3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.420 14.533 5.496 1.00 0.00 H new ATOM 788 N SER A 53 -2.570 17.162 2.827 1.00 0.00 N ATOM 789 CA SER A 53 -1.856 17.683 1.668 1.00 0.00 C ATOM 790 C SER A 53 -0.556 16.914 1.439 1.00 0.00 C ATOM 791 O SER A 53 0.002 16.940 0.340 1.00 0.00 O ATOM 792 CB SER A 53 -1.544 19.164 1.887 1.00 0.00 C ATOM 793 OG SER A 53 -1.212 19.377 3.254 1.00 0.00 O ATOM 0 H SER A 53 -2.422 17.691 3.687 1.00 0.00 H new ATOM 0 HA SER A 53 -2.487 17.563 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.717 19.472 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.404 19.774 1.610 1.00 0.00 H new ATOM 0 HG SER A 53 -1.010 20.325 3.398 1.00 0.00 H new ATOM 799 N SER A 54 -0.074 16.242 2.482 1.00 0.00 N ATOM 800 CA SER A 54 1.170 15.481 2.388 1.00 0.00 C ATOM 801 C SER A 54 0.924 14.077 1.840 1.00 0.00 C ATOM 802 O SER A 54 1.796 13.506 1.183 1.00 0.00 O ATOM 803 CB SER A 54 1.821 15.378 3.765 1.00 0.00 C ATOM 804 OG SER A 54 0.965 14.650 4.634 1.00 0.00 O ATOM 0 H SER A 54 -0.523 16.209 3.397 1.00 0.00 H new ATOM 0 HA SER A 54 1.832 16.008 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.788 14.881 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.006 16.374 4.168 1.00 0.00 H new ATOM 0 HG SER A 54 1.380 14.580 5.519 1.00 0.00 H new ATOM 810 N THR A 55 -0.260 13.525 2.113 1.00 0.00 N ATOM 811 CA THR A 55 -0.596 12.183 1.632 1.00 0.00 C ATOM 812 C THR A 55 -0.204 12.036 0.164 1.00 0.00 C ATOM 813 O THR A 55 0.197 10.959 -0.280 1.00 0.00 O ATOM 814 CB THR A 55 -2.101 11.930 1.800 1.00 0.00 C ATOM 815 OG1 THR A 55 -2.387 11.702 3.172 1.00 0.00 O ATOM 816 CG2 THR A 55 -2.526 10.704 0.983 1.00 0.00 C ATOM 0 H THR A 55 -0.994 13.979 2.657 1.00 0.00 H new ATOM 0 HA THR A 55 -0.043 11.449 2.219 1.00 0.00 H new ATOM 0 HB THR A 55 -2.651 12.802 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.247 11.239 3.254 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.595 10.535 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.309 10.876 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.976 9.828 1.328 1.00 0.00 H new ATOM 824 N ILE A 56 -0.319 13.136 -0.578 1.00 0.00 N ATOM 825 CA ILE A 56 0.027 13.145 -1.996 1.00 0.00 C ATOM 826 C ILE A 56 1.487 12.740 -2.193 1.00 0.00 C ATOM 827 O ILE A 56 1.809 11.950 -3.081 1.00 0.00 O ATOM 828 CB ILE A 56 -0.203 14.547 -2.575 1.00 0.00 C ATOM 829 CG1 ILE A 56 -1.638 15.005 -2.270 1.00 0.00 C ATOM 830 CG2 ILE A 56 0.014 14.517 -4.092 1.00 0.00 C ATOM 831 CD1 ILE A 56 -1.759 16.517 -2.495 1.00 0.00 C ATOM 0 H ILE A 56 -0.649 14.032 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.608 12.427 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 56 0.501 15.244 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.343 14.475 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.897 14.759 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.150 15.513 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.034 14.199 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.688 13.818 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.778 16.837 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.066 17.040 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.519 16.751 -3.532 1.00 0.00 H new ATOM 843 N THR A 57 2.362 13.289 -1.351 1.00 0.00 N ATOM 844 CA THR A 57 3.791 12.989 -1.427 1.00 0.00 C ATOM 845 C THR A 57 4.039 11.510 -1.147 1.00 0.00 C ATOM 846 O THR A 57 4.724 10.831 -1.915 1.00 0.00 O ATOM 847 CB THR A 57 4.552 13.844 -0.404 1.00 0.00 C ATOM 848 OG1 THR A 57 4.226 15.214 -0.600 1.00 0.00 O ATOM 849 CG2 THR A 57 6.062 13.651 -0.576 1.00 0.00 C ATOM 0 H THR A 57 2.107 13.942 -0.610 1.00 0.00 H new ATOM 0 HA THR A 57 4.146 13.220 -2.431 1.00 0.00 H new ATOM 0 HB THR A 57 4.266 13.536 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.709 15.762 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.592 14.262 0.154 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.314 12.602 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.355 13.952 -1.582 1.00 0.00 H new ATOM 857 N LEU A 58 3.480 11.018 -0.042 1.00 0.00 N ATOM 858 CA LEU A 58 3.647 9.616 0.331 1.00 0.00 C ATOM 859 C LEU A 58 3.084 8.701 -0.751 1.00 0.00 C ATOM 860 O LEU A 58 3.733 7.737 -1.156 1.00 0.00 O ATOM 861 CB LEU A 58 2.939 9.335 1.662 1.00 0.00 C ATOM 862 CG LEU A 58 3.890 9.624 2.831 1.00 0.00 C ATOM 863 CD1 LEU A 58 4.411 11.063 2.738 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.137 9.439 4.153 1.00 0.00 C ATOM 0 H LEU A 58 2.912 11.565 0.605 1.00 0.00 H new ATOM 0 HA LEU A 58 4.713 9.417 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.046 9.954 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.611 8.296 1.697 1.00 0.00 H new ATOM 0 HG LEU A 58 4.734 8.935 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.085 11.260 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.947 11.196 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.572 11.757 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.809 9.643 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.293 10.128 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.773 8.414 4.224 1.00 0.00 H new ATOM 876 N LYS A 59 1.874 9.015 -1.212 1.00 0.00 N ATOM 877 CA LYS A 59 1.221 8.221 -2.251 1.00 0.00 C ATOM 878 C LYS A 59 2.197 7.905 -3.383 1.00 0.00 C ATOM 879 O LYS A 59 2.500 6.740 -3.647 1.00 0.00 O ATOM 880 CB LYS A 59 0.016 8.988 -2.806 1.00 0.00 C ATOM 881 CG LYS A 59 -0.776 8.088 -3.759 1.00 0.00 C ATOM 882 CD LYS A 59 -2.035 8.821 -4.230 1.00 0.00 C ATOM 883 CE LYS A 59 -2.568 8.159 -5.503 1.00 0.00 C ATOM 884 NZ LYS A 59 -1.774 8.627 -6.676 1.00 0.00 N ATOM 0 H LYS A 59 1.328 9.811 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 59 0.885 7.282 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.624 9.320 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.352 9.882 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.159 7.816 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.050 7.160 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.796 8.797 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.808 9.870 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.504 7.074 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.621 8.406 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.227 8.301 -7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.731 9.666 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.810 8.240 -6.619 1.00 0.00 H new ATOM 898 N ALA A 60 2.690 8.950 -4.041 1.00 0.00 N ATOM 899 CA ALA A 60 3.636 8.779 -5.138 1.00 0.00 C ATOM 900 C ALA A 60 4.895 8.062 -4.653 1.00 0.00 C ATOM 901 O ALA A 60 5.595 7.420 -5.436 1.00 0.00 O ATOM 902 CB ALA A 60 4.010 10.144 -5.721 1.00 0.00 C ATOM 0 H ALA A 60 2.451 9.920 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 60 3.164 8.173 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.717 10.009 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.113 10.639 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.467 10.758 -4.945 1.00 0.00 H new ATOM 908 N GLY A 61 5.173 8.172 -3.355 1.00 0.00 N ATOM 909 CA GLY A 61 6.346 7.526 -2.773 1.00 0.00 C ATOM 910 C GLY A 61 6.211 6.007 -2.822 1.00 0.00 C ATOM 911 O GLY A 61 7.037 5.321 -3.427 1.00 0.00 O ATOM 0 H GLY A 61 4.606 8.699 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.241 7.833 -3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.470 7.851 -1.740 1.00 0.00 H new ATOM 915 N ILE A 62 5.164 5.489 -2.186 1.00 0.00 N ATOM 916 CA ILE A 62 4.933 4.047 -2.171 1.00 0.00 C ATOM 917 C ILE A 62 4.664 3.543 -3.583 1.00 0.00 C ATOM 918 O ILE A 62 5.297 2.591 -4.036 1.00 0.00 O ATOM 919 CB ILE A 62 3.750 3.677 -1.259 1.00 0.00 C ATOM 920 CG1 ILE A 62 3.061 4.949 -0.741 1.00 0.00 C ATOM 921 CG2 ILE A 62 4.267 2.854 -0.073 1.00 0.00 C ATOM 922 CD1 ILE A 62 1.856 4.575 0.124 1.00 0.00 C ATOM 0 H ILE A 62 4.469 6.038 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 62 5.832 3.572 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 62 3.027 3.093 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.766 5.544 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.739 5.566 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.433 2.589 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.744 1.945 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.992 3.442 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.373 5.482 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.146 3.999 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.189 3.977 0.972 1.00 0.00 H new ATOM 934 N GLU A 63 3.726 4.191 -4.273 1.00 0.00 N ATOM 935 CA GLU A 63 3.387 3.803 -5.640 1.00 0.00 C ATOM 936 C GLU A 63 4.653 3.530 -6.445 1.00 0.00 C ATOM 937 O GLU A 63 4.803 2.464 -7.037 1.00 0.00 O ATOM 938 CB GLU A 63 2.580 4.911 -6.322 1.00 0.00 C ATOM 939 CG GLU A 63 2.156 4.446 -7.722 1.00 0.00 C ATOM 940 CD GLU A 63 1.238 5.477 -8.380 1.00 0.00 C ATOM 941 OE1 GLU A 63 0.630 6.256 -7.661 1.00 0.00 O ATOM 942 OE2 GLU A 63 1.152 5.467 -9.597 1.00 0.00 O ATOM 0 H GLU A 63 3.192 4.981 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 63 2.787 2.894 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.701 5.155 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.178 5.820 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.039 4.290 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.643 3.487 -7.652 1.00 0.00 H new ATOM 949 N ARG A 64 5.560 4.504 -6.454 1.00 0.00 N ATOM 950 CA ARG A 64 6.817 4.372 -7.185 1.00 0.00 C ATOM 951 C ARG A 64 7.548 3.097 -6.774 1.00 0.00 C ATOM 952 O ARG A 64 7.854 2.252 -7.615 1.00 0.00 O ATOM 953 CB ARG A 64 7.708 5.587 -6.909 1.00 0.00 C ATOM 954 CG ARG A 64 8.866 5.623 -7.913 1.00 0.00 C ATOM 955 CD ARG A 64 9.960 6.564 -7.400 1.00 0.00 C ATOM 956 NE ARG A 64 10.887 5.839 -6.535 1.00 0.00 N ATOM 957 CZ ARG A 64 11.708 6.486 -5.713 1.00 0.00 C ATOM 958 NH1 ARG A 64 11.229 7.133 -4.687 1.00 0.00 N ATOM 959 NH2 ARG A 64 12.995 6.471 -5.931 1.00 0.00 N ATOM 0 H ARG A 64 5.448 5.392 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 64 6.593 4.318 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.122 6.503 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.098 5.540 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.271 4.621 -8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.508 5.961 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.500 6.997 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.510 7.391 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 64 10.905 4.820 -6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.224 7.143 -4.514 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.860 7.629 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.371 5.963 -6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.625 6.967 -5.301 1.00 0.00 H new ATOM 973 N ALA A 65 7.818 2.968 -5.477 1.00 0.00 N ATOM 974 CA ALA A 65 8.513 1.793 -4.958 1.00 0.00 C ATOM 975 C ALA A 65 7.782 0.517 -5.369 1.00 0.00 C ATOM 976 O ALA A 65 8.385 -0.406 -5.921 1.00 0.00 O ATOM 977 CB ALA A 65 8.592 1.872 -3.431 1.00 0.00 C ATOM 0 H ALA A 65 7.568 3.659 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 65 9.520 1.770 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.111 0.994 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.136 2.771 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.585 1.908 -3.016 1.00 0.00 H new ATOM 983 N LEU A 66 6.480 0.481 -5.104 1.00 0.00 N ATOM 984 CA LEU A 66 5.662 -0.674 -5.456 1.00 0.00 C ATOM 985 C LEU A 66 5.714 -0.922 -6.964 1.00 0.00 C ATOM 986 O LEU A 66 6.075 -2.010 -7.413 1.00 0.00 O ATOM 987 CB LEU A 66 4.213 -0.433 -5.018 1.00 0.00 C ATOM 988 CG LEU A 66 4.132 -0.387 -3.487 1.00 0.00 C ATOM 989 CD1 LEU A 66 2.727 0.050 -3.063 1.00 0.00 C ATOM 990 CD2 LEU A 66 4.431 -1.776 -2.909 1.00 0.00 C ATOM 0 H LEU A 66 5.970 1.237 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 66 6.053 -1.553 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.848 0.504 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.571 -1.226 -5.401 1.00 0.00 H new ATOM 0 HG LEU A 66 4.866 0.325 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.669 0.083 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.516 1.040 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.994 -0.661 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.372 -1.738 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.701 -2.492 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.432 -2.086 -3.208 1.00 0.00 H new ATOM 1002 N HIS A 67 5.357 0.102 -7.735 1.00 0.00 N ATOM 1003 CA HIS A 67 5.366 0.006 -9.195 1.00 0.00 C ATOM 1004 C HIS A 67 6.707 -0.532 -9.691 1.00 0.00 C ATOM 1005 O HIS A 67 6.754 -1.344 -10.615 1.00 0.00 O ATOM 1006 CB HIS A 67 5.119 1.387 -9.811 1.00 0.00 C ATOM 1007 CG HIS A 67 3.640 1.645 -9.917 1.00 0.00 C ATOM 1008 ND1 HIS A 67 3.056 2.118 -11.083 1.00 0.00 N ATOM 1009 CD2 HIS A 67 2.616 1.509 -9.014 1.00 0.00 C ATOM 1010 CE1 HIS A 67 1.737 2.249 -10.850 1.00 0.00 C ATOM 1011 NE2 HIS A 67 1.415 1.891 -9.605 1.00 0.00 N ATOM 0 H HIS A 67 5.058 1.008 -7.375 1.00 0.00 H new ATOM 0 HA HIS A 67 4.574 -0.679 -9.497 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.588 2.157 -9.198 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.578 1.442 -10.798 1.00 0.00 H new ATOM 0 HD1 HIS A 67 3.538 2.328 -11.957 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.725 1.159 -7.998 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.025 2.601 -11.582 1.00 0.00 H new ATOM 1019 N GLU A 68 7.790 -0.064 -9.074 1.00 0.00 N ATOM 1020 CA GLU A 68 9.127 -0.494 -9.464 1.00 0.00 C ATOM 1021 C GLU A 68 9.307 -1.990 -9.228 1.00 0.00 C ATOM 1022 O GLU A 68 9.628 -2.734 -10.157 1.00 0.00 O ATOM 1023 CB GLU A 68 10.182 0.283 -8.668 1.00 0.00 C ATOM 1024 CG GLU A 68 11.494 0.325 -9.460 1.00 0.00 C ATOM 1025 CD GLU A 68 12.621 0.908 -8.604 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.322 1.645 -7.676 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.768 0.612 -8.894 1.00 0.00 O ATOM 0 H GLU A 68 7.767 0.608 -8.307 1.00 0.00 H new ATOM 0 HA GLU A 68 9.253 -0.292 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.831 1.296 -8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.344 -0.191 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.761 -0.680 -9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.364 0.928 -10.359 1.00 0.00 H new ATOM 1034 N GLU A 69 9.100 -2.429 -7.987 1.00 0.00 N ATOM 1035 CA GLU A 69 9.247 -3.835 -7.658 1.00 0.00 C ATOM 1036 C GLU A 69 7.964 -4.590 -7.985 1.00 0.00 C ATOM 1037 O GLU A 69 7.539 -4.626 -9.141 1.00 0.00 O ATOM 1038 CB GLU A 69 9.590 -3.983 -6.168 1.00 0.00 C ATOM 1039 CG GLU A 69 11.008 -3.456 -5.915 1.00 0.00 C ATOM 1040 CD GLU A 69 11.456 -3.771 -4.485 1.00 0.00 C ATOM 1041 OE1 GLU A 69 10.614 -4.126 -3.675 1.00 0.00 O ATOM 1042 OE2 GLU A 69 12.642 -3.646 -4.219 1.00 0.00 O ATOM 0 H GLU A 69 8.833 -1.833 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 69 10.056 -4.259 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.872 -3.431 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.521 -5.029 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.701 -3.906 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.036 -2.379 -6.081 1.00 0.00 H new ATOM 1049 N VAL A 70 7.357 -5.182 -6.961 1.00 0.00 N ATOM 1050 CA VAL A 70 6.117 -5.942 -7.127 1.00 0.00 C ATOM 1051 C VAL A 70 6.116 -6.689 -8.466 1.00 0.00 C ATOM 1052 O VAL A 70 5.192 -6.544 -9.268 1.00 0.00 O ATOM 1053 CB VAL A 70 4.908 -5.001 -7.043 1.00 0.00 C ATOM 1054 CG1 VAL A 70 3.618 -5.821 -6.894 1.00 0.00 C ATOM 1055 CG2 VAL A 70 5.057 -4.080 -5.825 1.00 0.00 C ATOM 0 H VAL A 70 7.704 -5.151 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 70 6.050 -6.676 -6.324 1.00 0.00 H new ATOM 0 HB VAL A 70 4.859 -4.405 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.763 -5.147 -6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.503 -6.478 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.671 -6.421 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.198 -3.412 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.111 -4.682 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.968 -3.491 -5.924 1.00 0.00 H new ATOM 1065 N PRO A 71 7.138 -7.472 -8.720 1.00 0.00 N ATOM 1066 CA PRO A 71 7.277 -8.251 -9.984 1.00 0.00 C ATOM 1067 C PRO A 71 5.960 -8.894 -10.418 1.00 0.00 C ATOM 1068 O PRO A 71 5.477 -9.834 -9.784 1.00 0.00 O ATOM 1069 CB PRO A 71 8.335 -9.321 -9.659 1.00 0.00 C ATOM 1070 CG PRO A 71 8.747 -9.103 -8.233 1.00 0.00 C ATOM 1071 CD PRO A 71 8.281 -7.705 -7.837 1.00 0.00 C ATOM 0 HA PRO A 71 7.565 -7.612 -10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.927 -10.322 -9.795 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.192 -9.233 -10.327 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.300 -9.856 -7.584 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.828 -9.193 -8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.994 -7.658 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.064 -6.962 -7.987 1.00 0.00 H new ATOM 1079 N GLY A 72 5.386 -8.369 -11.499 1.00 0.00 N ATOM 1080 CA GLY A 72 4.122 -8.882 -12.021 1.00 0.00 C ATOM 1081 C GLY A 72 3.049 -7.795 -12.004 1.00 0.00 C ATOM 1082 O GLY A 72 1.957 -7.981 -12.543 1.00 0.00 O ATOM 0 H GLY A 72 5.776 -7.590 -12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.264 -9.244 -13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.794 -9.732 -11.423 1.00 0.00 H new ATOM 1086 N VAL A 73 3.372 -6.662 -11.380 1.00 0.00 N ATOM 1087 CA VAL A 73 2.434 -5.545 -11.290 1.00 0.00 C ATOM 1088 C VAL A 73 2.176 -4.937 -12.661 1.00 0.00 C ATOM 1089 O VAL A 73 3.052 -4.929 -13.528 1.00 0.00 O ATOM 1090 CB VAL A 73 2.979 -4.471 -10.340 1.00 0.00 C ATOM 1091 CG1 VAL A 73 4.149 -3.729 -10.998 1.00 0.00 C ATOM 1092 CG2 VAL A 73 1.868 -3.471 -10.004 1.00 0.00 C ATOM 0 H VAL A 73 4.273 -6.495 -10.931 1.00 0.00 H new ATOM 0 HA VAL A 73 1.491 -5.927 -10.899 1.00 0.00 H new ATOM 0 HB VAL A 73 3.329 -4.952 -9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.528 -2.969 -10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.944 -4.437 -11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.807 -3.253 -11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.257 -2.709 -9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.515 -2.998 -10.920 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.041 -3.994 -9.523 1.00 0.00 H new ATOM 1102 N ILE A 74 0.959 -4.438 -12.846 1.00 0.00 N ATOM 1103 CA ILE A 74 0.574 -3.834 -14.115 1.00 0.00 C ATOM 1104 C ILE A 74 -0.279 -2.584 -13.888 1.00 0.00 C ATOM 1105 O ILE A 74 -0.220 -1.637 -14.672 1.00 0.00 O ATOM 1106 CB ILE A 74 -0.208 -4.847 -14.964 1.00 0.00 C ATOM 1107 CG1 ILE A 74 0.021 -6.268 -14.427 1.00 0.00 C ATOM 1108 CG2 ILE A 74 0.270 -4.771 -16.416 1.00 0.00 C ATOM 1109 CD1 ILE A 74 -0.615 -7.291 -15.372 1.00 0.00 C ATOM 0 H ILE A 74 0.226 -4.440 -12.137 1.00 0.00 H new ATOM 0 HA ILE A 74 1.482 -3.543 -14.643 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.271 -4.611 -14.913 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.089 -6.463 -14.332 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.410 -6.363 -13.430 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.284 -5.490 -17.020 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.101 -3.766 -16.802 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.334 -5.003 -16.461 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.449 -8.296 -14.985 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.686 -7.103 -15.445 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.164 -7.203 -16.360 1.00 0.00 H new ATOM 1121 N GLU A 75 -1.073 -2.590 -12.817 1.00 0.00 N ATOM 1122 CA GLU A 75 -1.936 -1.448 -12.511 1.00 0.00 C ATOM 1123 C GLU A 75 -2.497 -1.553 -11.089 1.00 0.00 C ATOM 1124 O GLU A 75 -3.379 -2.371 -10.823 1.00 0.00 O ATOM 1125 CB GLU A 75 -3.090 -1.391 -13.526 1.00 0.00 C ATOM 1126 CG GLU A 75 -3.551 0.057 -13.734 1.00 0.00 C ATOM 1127 CD GLU A 75 -3.946 0.684 -12.405 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -4.969 0.291 -11.867 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -3.219 1.550 -11.943 1.00 0.00 O ATOM 0 H GLU A 75 -1.137 -3.362 -12.154 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.344 -0.535 -12.577 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.768 -1.816 -14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.924 -1.997 -13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.751 0.638 -14.194 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.397 0.081 -14.420 1.00 0.00 H new ATOM 1136 N VAL A 76 -1.989 -0.713 -10.184 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.457 -0.710 -8.794 1.00 0.00 C ATOM 1138 C VAL A 76 -3.651 0.231 -8.643 1.00 0.00 C ATOM 1139 O VAL A 76 -3.975 0.977 -9.561 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.325 -0.259 -7.856 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -1.112 1.255 -7.988 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -1.694 -0.593 -6.404 1.00 0.00 C ATOM 0 H VAL A 76 -1.259 -0.030 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.762 -1.722 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.408 -0.780 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.309 1.569 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.845 1.497 -9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.031 1.776 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.890 -0.272 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.615 -0.076 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.840 -1.669 -6.304 1.00 0.00 H new ATOM 1152 N GLU A 77 -4.295 0.210 -7.481 1.00 0.00 N ATOM 1153 CA GLU A 77 -5.440 1.088 -7.257 1.00 0.00 C ATOM 1154 C GLU A 77 -5.456 1.605 -5.825 1.00 0.00 C ATOM 1155 O GLU A 77 -5.579 0.835 -4.872 1.00 0.00 O ATOM 1156 CB GLU A 77 -6.746 0.343 -7.554 1.00 0.00 C ATOM 1157 CG GLU A 77 -7.156 0.581 -9.016 1.00 0.00 C ATOM 1158 CD GLU A 77 -7.871 1.928 -9.169 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -7.628 2.811 -8.360 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -8.650 2.057 -10.098 1.00 0.00 O ATOM 0 H GLU A 77 -4.052 -0.391 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.351 1.939 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.617 -0.724 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.534 0.688 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.273 0.559 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.811 -0.223 -9.350 1.00 0.00 H new ATOM 1167 N GLN A 78 -5.335 2.924 -5.695 1.00 0.00 N ATOM 1168 CA GLN A 78 -5.338 3.573 -4.390 1.00 0.00 C ATOM 1169 C GLN A 78 -6.594 4.425 -4.245 1.00 0.00 C ATOM 1170 O GLN A 78 -6.599 5.609 -4.585 1.00 0.00 O ATOM 1171 CB GLN A 78 -4.087 4.449 -4.241 1.00 0.00 C ATOM 1172 CG GLN A 78 -4.003 5.011 -2.815 1.00 0.00 C ATOM 1173 CD GLN A 78 -4.766 6.330 -2.716 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -4.613 7.205 -3.569 1.00 0.00 O ATOM 1175 NE2 GLN A 78 -5.586 6.527 -1.721 1.00 0.00 N ATOM 0 H GLN A 78 -5.233 3.565 -6.482 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.331 2.813 -3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.195 3.863 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.118 5.267 -4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.416 4.291 -2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.960 5.166 -2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.713 5.803 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.100 7.405 -1.650 1.00 0.00 H new ATOM 1184 N VAL A 79 -7.663 3.810 -3.751 1.00 0.00 N ATOM 1185 CA VAL A 79 -8.922 4.526 -3.575 1.00 0.00 C ATOM 1186 C VAL A 79 -9.019 5.116 -2.170 1.00 0.00 C ATOM 1187 O VAL A 79 -8.415 4.606 -1.221 1.00 0.00 O ATOM 1188 CB VAL A 79 -10.108 3.585 -3.827 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -10.155 3.207 -5.312 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -9.957 2.315 -2.981 1.00 0.00 C ATOM 0 H VAL A 79 -7.685 2.830 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.952 5.342 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.032 4.092 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.997 2.539 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.273 4.108 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.228 2.705 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.803 1.652 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.032 1.806 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -9.929 2.583 -1.925 1.00 0.00 H new ATOM 1200 N PHE A 80 -9.791 6.194 -2.046 1.00 0.00 N ATOM 1201 CA PHE A 80 -9.977 6.852 -0.757 1.00 0.00 C ATOM 1202 C PHE A 80 -11.255 6.354 -0.097 1.00 0.00 C ATOM 1203 O PHE A 80 -11.960 5.510 -0.652 1.00 0.00 O ATOM 1204 CB PHE A 80 -10.059 8.370 -0.946 1.00 0.00 C ATOM 1205 CG PHE A 80 -8.683 8.922 -1.232 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -7.693 8.873 -0.245 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -8.397 9.486 -2.482 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -6.419 9.385 -0.505 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -7.121 10.000 -2.742 1.00 0.00 C ATOM 1210 CZ PHE A 80 -6.132 9.949 -1.753 1.00 0.00 C ATOM 0 H PHE A 80 -10.295 6.628 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.125 6.615 -0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -10.735 8.608 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.469 8.836 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.913 8.439 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.161 9.524 -3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.655 9.345 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.900 10.436 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.147 10.345 -1.953 1.00 0.00 H new ATOM 1220 N LEU A 81 -11.552 6.881 1.086 1.00 0.00 N ATOM 1221 CA LEU A 81 -12.756 6.481 1.802 1.00 0.00 C ATOM 1222 C LEU A 81 -13.993 7.044 1.104 1.00 0.00 C ATOM 1223 O LEU A 81 -14.602 8.008 1.572 1.00 0.00 O ATOM 1224 CB LEU A 81 -12.701 6.973 3.251 1.00 0.00 C ATOM 1225 CG LEU A 81 -13.893 6.403 4.029 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -13.470 5.129 4.766 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -14.385 7.439 5.039 1.00 0.00 C ATOM 0 H LEU A 81 -10.982 7.579 1.565 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.816 5.393 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.766 6.661 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.723 8.062 3.278 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.696 6.164 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.321 4.728 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.124 4.389 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.664 5.362 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.232 7.034 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.580 7.681 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.694 8.342 4.513 1.00 0.00 H new ATOM 1239 N GLU A 82 -14.355 6.428 -0.018 1.00 0.00 N ATOM 1240 CA GLU A 82 -15.520 6.855 -0.787 1.00 0.00 C ATOM 1241 C GLU A 82 -16.758 6.909 0.101 1.00 0.00 C ATOM 1242 O GLU A 82 -16.793 6.307 1.175 1.00 0.00 O ATOM 1243 CB GLU A 82 -15.767 5.884 -1.945 1.00 0.00 C ATOM 1244 CG GLU A 82 -15.662 4.440 -1.435 1.00 0.00 C ATOM 1245 CD GLU A 82 -16.198 3.459 -2.482 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -16.340 3.853 -3.629 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -16.455 2.324 -2.118 1.00 0.00 O ATOM 0 H GLU A 82 -13.858 5.631 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.324 7.852 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.753 6.058 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.039 6.055 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.623 4.204 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.225 4.334 -0.508 1.00 0.00 H new ATOM 1254 N HIS A 83 -17.771 7.635 -0.353 1.00 0.00 N ATOM 1255 CA HIS A 83 -19.005 7.767 0.408 1.00 0.00 C ATOM 1256 C HIS A 83 -19.816 6.475 0.347 1.00 0.00 C ATOM 1257 O HIS A 83 -20.118 5.876 1.379 1.00 0.00 O ATOM 1258 CB HIS A 83 -19.831 8.932 -0.144 1.00 0.00 C ATOM 1259 CG HIS A 83 -19.065 10.218 0.034 1.00 0.00 C ATOM 1260 ND1 HIS A 83 -17.734 10.526 -0.124 1.00 0.00 N flip ATOM 1261 CD2 HIS A 83 -19.676 11.393 0.444 1.00 0.00 C flip ATOM 1262 CE1 HIS A 83 -17.523 11.866 0.184 1.00 0.00 C flip ATOM 1263 NE2 HIS A 83 -18.724 12.342 0.520 1.00 0.00 N flip ATOM 0 H HIS A 83 -17.763 8.139 -1.240 1.00 0.00 H new ATOM 0 HA HIS A 83 -18.753 7.966 1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -20.050 8.769 -1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -20.788 8.991 0.374 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -20.726 11.523 0.663 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -16.588 12.406 0.157 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -18.899 13.307 0.800 1.00 0.00 H new ATOM 1271 N HIS A 84 -20.161 6.056 -0.873 1.00 0.00 N ATOM 1272 CA HIS A 84 -20.942 4.834 -1.080 1.00 0.00 C ATOM 1273 C HIS A 84 -22.315 4.956 -0.420 1.00 0.00 C ATOM 1274 O HIS A 84 -22.445 5.494 0.679 1.00 0.00 O ATOM 1275 CB HIS A 84 -20.198 3.613 -0.522 1.00 0.00 C ATOM 1276 CG HIS A 84 -20.854 2.354 -1.024 1.00 0.00 C ATOM 1277 ND1 HIS A 84 -21.602 1.527 -0.198 1.00 0.00 N ATOM 1278 CD2 HIS A 84 -20.888 1.770 -2.266 1.00 0.00 C ATOM 1279 CE1 HIS A 84 -22.048 0.502 -0.946 1.00 0.00 C ATOM 1280 NE2 HIS A 84 -21.641 0.601 -2.215 1.00 0.00 N ATOM 0 H HIS A 84 -19.912 6.545 -1.733 1.00 0.00 H new ATOM 0 HA HIS A 84 -21.079 4.698 -2.153 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.153 3.639 -0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -20.210 3.633 0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -20.403 2.159 -3.149 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.660 -0.303 -0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.840 -0.042 -2.981 1.00 0.00 H new ATOM 1288 N HIS A 85 -23.340 4.462 -1.106 1.00 0.00 N ATOM 1289 CA HIS A 85 -24.700 4.534 -0.585 1.00 0.00 C ATOM 1290 C HIS A 85 -25.614 3.578 -1.343 1.00 0.00 C ATOM 1291 O HIS A 85 -25.554 3.488 -2.570 1.00 0.00 O ATOM 1292 CB HIS A 85 -25.229 5.967 -0.708 1.00 0.00 C ATOM 1293 CG HIS A 85 -24.941 6.496 -2.088 1.00 0.00 C ATOM 1294 ND1 HIS A 85 -23.767 6.853 -2.707 1.00 0.00 N flip ATOM 1295 CD2 HIS A 85 -25.941 6.709 -3.022 1.00 0.00 C flip ATOM 1296 CE1 HIS A 85 -24.033 7.281 -4.004 1.00 0.00 C flip ATOM 1297 NE2 HIS A 85 -25.358 7.175 -4.141 1.00 0.00 N flip ATOM 0 H HIS A 85 -23.256 4.011 -2.017 1.00 0.00 H new ATOM 0 HA HIS A 85 -24.686 4.243 0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -26.302 5.987 -0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -24.760 6.604 0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -26.997 6.533 -2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -23.322 7.625 -4.741 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -25.866 7.418 -4.991 1.00 0.00 H new ATOM 1305 N HIS A 86 -26.451 2.862 -0.599 1.00 0.00 N ATOM 1306 CA HIS A 86 -27.375 1.903 -1.195 1.00 0.00 C ATOM 1307 C HIS A 86 -28.823 2.348 -1.002 1.00 0.00 C ATOM 1308 O HIS A 86 -29.505 1.916 -0.069 1.00 0.00 O ATOM 1309 CB HIS A 86 -27.161 0.527 -0.561 1.00 0.00 C ATOM 1310 CG HIS A 86 -27.241 0.649 0.938 1.00 0.00 C ATOM 1311 ND1 HIS A 86 -26.237 1.246 1.686 1.00 0.00 N ATOM 1312 CD2 HIS A 86 -28.203 0.269 1.839 1.00 0.00 C ATOM 1313 CE1 HIS A 86 -26.617 1.209 2.977 1.00 0.00 C ATOM 1314 NE2 HIS A 86 -27.807 0.624 3.126 1.00 0.00 N ATOM 0 H HIS A 86 -26.509 2.928 0.417 1.00 0.00 H new ATOM 0 HA HIS A 86 -27.178 1.847 -2.266 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -27.915 -0.173 -0.921 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -26.190 0.127 -0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -29.127 -0.230 1.588 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -26.030 1.605 3.793 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -28.317 0.470 3.996 1.00 0.00 H new ATOM 1322 N HIS A 87 -29.287 3.212 -1.896 1.00 0.00 N ATOM 1323 CA HIS A 87 -30.656 3.713 -1.833 1.00 0.00 C ATOM 1324 C HIS A 87 -31.651 2.585 -2.105 1.00 0.00 C ATOM 1325 O HIS A 87 -31.299 1.406 -2.049 1.00 0.00 O ATOM 1326 CB HIS A 87 -30.840 4.824 -2.870 1.00 0.00 C ATOM 1327 CG HIS A 87 -30.616 4.267 -4.253 1.00 0.00 C ATOM 1328 ND1 HIS A 87 -29.499 3.510 -4.578 1.00 0.00 N ATOM 1329 CD2 HIS A 87 -31.363 4.340 -5.403 1.00 0.00 C ATOM 1330 CE1 HIS A 87 -29.606 3.161 -5.872 1.00 0.00 C ATOM 1331 NE2 HIS A 87 -30.724 3.640 -6.424 1.00 0.00 N ATOM 0 H HIS A 87 -28.737 3.580 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 87 -30.842 4.108 -0.834 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -31.843 5.244 -2.794 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -30.139 5.636 -2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -32.304 4.861 -5.501 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -28.877 2.566 -6.401 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -31.041 3.519 -7.386 1.00 0.00 H new ATOM 1339 N HIS A 88 -32.891 2.957 -2.410 1.00 0.00 N ATOM 1340 CA HIS A 88 -33.927 1.973 -2.701 1.00 0.00 C ATOM 1341 C HIS A 88 -33.837 1.532 -4.167 1.00 0.00 C ATOM 1342 O HIS A 88 -32.738 1.556 -4.702 1.00 0.00 O ATOM 1343 CB HIS A 88 -35.308 2.579 -2.403 1.00 0.00 C ATOM 1344 CG HIS A 88 -36.356 1.494 -2.380 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -36.030 0.147 -2.349 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -37.730 1.548 -2.393 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -37.181 -0.548 -2.346 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -38.247 0.255 -2.372 1.00 0.00 N ATOM 1349 OXT HIS A 88 -34.856 1.175 -4.734 1.00 0.00 O ATOM 0 H HIS A 88 -33.201 3.927 -2.462 1.00 0.00 H new ATOM 0 HA HIS A 88 -33.782 1.096 -2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -35.288 3.096 -1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -35.559 3.322 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -38.318 2.454 -2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -37.236 -1.626 -2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -39.229 -0.019 -2.376 1.00 0.00 H new TER 1357 HIS A 88