USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.117 (180deg=-0.637) USER MOD Single : A 3 THR OG1 : rot -53:sc= -0.618! USER MOD Single : A 5 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.08! K(o=-1.1!,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0592 USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -0.562 (180deg=-1.34) USER MOD Single : A 43 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -2.99 K(o=-3,f=-4.1) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.0338 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.131 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.122 USER MOD Single : A 55 THR OG1 : rot -80:sc= -0.244 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00954 USER MOD Single : A 59 LYS NZ :NH3+ -135:sc= -0.0913 (180deg=-1.72!) USER MOD Single : A 67 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2!) USER MOD Single : A 78 GLN : amide:sc= -1.06 X(o=-1.1,f=-1) USER MOD Single : A 83 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.44) USER MOD Single : A 84 HIS : no HD1:sc= -2.05 X(o=-2,f=-2.4!) USER MOD Single : A 85 HIS : no HE2:sc= -0.728 K(o=-0.73,f=-2.2) USER MOD Single : A 86 HIS : no HE2:sc= -1.03! C(o=-1!,f=-3.8!) USER MOD Single : A 87 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.88) USER MOD Single : A 88 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.227 -24.860 -10.388 1.00 0.00 N ATOM 2 CA MET A 1 3.198 -25.131 -9.345 1.00 0.00 C ATOM 3 C MET A 1 3.896 -25.561 -8.056 1.00 0.00 C ATOM 4 O MET A 1 3.991 -26.753 -7.755 1.00 0.00 O ATOM 5 CB MET A 1 2.259 -26.239 -9.835 1.00 0.00 C ATOM 6 CG MET A 1 1.080 -26.379 -8.869 1.00 0.00 C ATOM 7 SD MET A 1 -0.017 -27.698 -9.444 1.00 0.00 S ATOM 8 CE MET A 1 -0.443 -28.364 -7.818 1.00 0.00 C ATOM 0 H1 MET A 1 3.884 -24.117 -11.030 1.00 0.00 H new ATOM 0 H2 MET A 1 5.108 -24.545 -9.933 1.00 0.00 H new ATOM 0 H3 MET A 1 4.409 -25.729 -10.930 1.00 0.00 H new ATOM 0 HA MET A 1 2.613 -24.232 -9.153 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.896 -26.005 -10.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.799 -27.183 -9.904 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.443 -26.604 -7.866 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.533 -25.438 -8.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.126 -29.205 -7.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.463 -28.701 -7.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.923 -27.588 -7.221 1.00 0.00 H new ATOM 20 N PRO A 2 4.388 -24.616 -7.296 1.00 0.00 N ATOM 21 CA PRO A 2 5.096 -24.896 -6.018 1.00 0.00 C ATOM 22 C PRO A 2 4.124 -25.286 -4.904 1.00 0.00 C ATOM 23 O PRO A 2 3.939 -26.471 -4.620 1.00 0.00 O ATOM 24 CB PRO A 2 5.828 -23.581 -5.688 1.00 0.00 C ATOM 25 CG PRO A 2 5.505 -22.610 -6.787 1.00 0.00 C ATOM 26 CD PRO A 2 4.324 -23.179 -7.570 1.00 0.00 C ATOM 0 HA PRO A 2 5.779 -25.740 -6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.505 -23.192 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.904 -23.745 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.256 -21.633 -6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.366 -22.470 -7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.379 -22.749 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.412 -22.970 -8.636 1.00 0.00 H new ATOM 34 N THR A 3 3.502 -24.282 -4.285 1.00 0.00 N ATOM 35 CA THR A 3 2.545 -24.514 -3.201 1.00 0.00 C ATOM 36 C THR A 3 1.871 -23.207 -2.808 1.00 0.00 C ATOM 37 O THR A 3 2.407 -22.123 -3.048 1.00 0.00 O ATOM 38 CB THR A 3 3.245 -25.084 -1.952 1.00 0.00 C ATOM 39 OG1 THR A 3 4.490 -25.668 -2.308 1.00 0.00 O ATOM 40 CG2 THR A 3 2.352 -26.141 -1.298 1.00 0.00 C ATOM 0 H THR A 3 3.644 -23.299 -4.516 1.00 0.00 H new ATOM 0 HA THR A 3 1.809 -25.231 -3.565 1.00 0.00 H new ATOM 0 HB THR A 3 3.424 -24.271 -1.248 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.354 -26.312 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.850 -26.542 -0.415 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.405 -25.687 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.164 -26.948 -2.007 1.00 0.00 H new ATOM 48 N GLU A 4 0.706 -23.318 -2.178 1.00 0.00 N ATOM 49 CA GLU A 4 -0.023 -22.140 -1.725 1.00 0.00 C ATOM 50 C GLU A 4 0.559 -21.664 -0.402 1.00 0.00 C ATOM 51 O GLU A 4 -0.167 -21.201 0.480 1.00 0.00 O ATOM 52 CB GLU A 4 -1.513 -22.465 -1.554 1.00 0.00 C ATOM 53 CG GLU A 4 -2.160 -22.698 -2.925 1.00 0.00 C ATOM 54 CD GLU A 4 -1.711 -24.039 -3.503 1.00 0.00 C ATOM 55 OE1 GLU A 4 -1.901 -25.045 -2.838 1.00 0.00 O ATOM 56 OE2 GLU A 4 -1.186 -24.041 -4.604 1.00 0.00 O ATOM 0 H GLU A 4 0.249 -24.206 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 4 0.075 -21.352 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.631 -23.352 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.016 -21.646 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.246 -22.681 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.887 -21.891 -3.605 1.00 0.00 H new ATOM 63 N ASN A 5 1.886 -21.764 -0.286 1.00 0.00 N ATOM 64 CA ASN A 5 2.582 -21.318 0.913 1.00 0.00 C ATOM 65 C ASN A 5 2.185 -19.875 1.188 1.00 0.00 C ATOM 66 O ASN A 5 1.470 -19.281 0.383 1.00 0.00 O ATOM 67 CB ASN A 5 4.097 -21.413 0.681 1.00 0.00 C ATOM 68 CG ASN A 5 4.683 -22.581 1.468 1.00 0.00 C ATOM 69 OD1 ASN A 5 5.663 -22.413 2.194 1.00 0.00 O ATOM 70 ND2 ASN A 5 4.141 -23.763 1.363 1.00 0.00 N ATOM 0 H ASN A 5 2.494 -22.150 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 5 2.316 -21.942 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.301 -21.543 -0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.577 -20.483 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.529 -24.550 1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.329 -23.900 0.761 1.00 0.00 H new ATOM 77 N PRO A 6 2.620 -19.287 2.275 1.00 0.00 N ATOM 78 CA PRO A 6 2.275 -17.877 2.595 1.00 0.00 C ATOM 79 C PRO A 6 2.308 -17.018 1.330 1.00 0.00 C ATOM 80 O PRO A 6 3.354 -16.496 0.940 1.00 0.00 O ATOM 81 CB PRO A 6 3.337 -17.454 3.626 1.00 0.00 C ATOM 82 CG PRO A 6 4.221 -18.650 3.851 1.00 0.00 C ATOM 83 CD PRO A 6 3.479 -19.870 3.304 1.00 0.00 C ATOM 0 HA PRO A 6 1.267 -17.757 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.917 -16.607 3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.868 -17.139 4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.177 -18.522 3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.437 -18.775 4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.165 -20.609 2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.900 -20.373 4.078 1.00 0.00 H new ATOM 91 N THR A 7 1.150 -16.920 0.674 1.00 0.00 N ATOM 92 CA THR A 7 1.034 -16.176 -0.576 1.00 0.00 C ATOM 93 C THR A 7 1.248 -14.682 -0.344 1.00 0.00 C ATOM 94 O THR A 7 1.567 -14.255 0.767 1.00 0.00 O ATOM 95 CB THR A 7 -0.354 -16.400 -1.185 1.00 0.00 C ATOM 96 OG1 THR A 7 -1.350 -15.978 -0.264 1.00 0.00 O ATOM 97 CG2 THR A 7 -0.543 -17.886 -1.504 1.00 0.00 C ATOM 0 H THR A 7 0.280 -17.348 0.990 1.00 0.00 H new ATOM 0 HA THR A 7 1.802 -16.537 -1.260 1.00 0.00 H new ATOM 0 HB THR A 7 -0.443 -15.821 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.238 -16.120 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.531 -18.042 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.219 -18.205 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.452 -18.469 -0.588 1.00 0.00 H new ATOM 105 N MET A 8 1.068 -13.893 -1.402 1.00 0.00 N ATOM 106 CA MET A 8 1.239 -12.446 -1.309 1.00 0.00 C ATOM 107 C MET A 8 0.452 -11.887 -0.129 1.00 0.00 C ATOM 108 O MET A 8 1.005 -11.193 0.723 1.00 0.00 O ATOM 109 CB MET A 8 0.759 -11.776 -2.599 1.00 0.00 C ATOM 110 CG MET A 8 1.746 -12.070 -3.730 1.00 0.00 C ATOM 111 SD MET A 8 1.240 -11.166 -5.214 1.00 0.00 S ATOM 112 CE MET A 8 2.898 -10.805 -5.844 1.00 0.00 C ATOM 0 H MET A 8 0.805 -14.230 -2.328 1.00 0.00 H new ATOM 0 HA MET A 8 2.298 -12.237 -1.161 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.233 -12.143 -2.864 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.671 -10.700 -2.450 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.753 -11.774 -3.436 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.775 -13.140 -3.934 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.819 -10.242 -6.774 1.00 0.00 H new ATOM 0 HE2 MET A 8 3.447 -10.217 -5.108 1.00 0.00 H new ATOM 0 HE3 MET A 8 3.428 -11.739 -6.030 1.00 0.00 H new ATOM 122 N PHE A 9 -0.844 -12.199 -0.093 1.00 0.00 N ATOM 123 CA PHE A 9 -1.719 -11.730 0.980 1.00 0.00 C ATOM 124 C PHE A 9 -1.007 -11.787 2.330 1.00 0.00 C ATOM 125 O PHE A 9 -0.969 -10.800 3.062 1.00 0.00 O ATOM 126 CB PHE A 9 -2.985 -12.589 1.028 1.00 0.00 C ATOM 127 CG PHE A 9 -4.097 -11.817 1.699 1.00 0.00 C ATOM 128 CD1 PHE A 9 -4.150 -11.739 3.097 1.00 0.00 C ATOM 129 CD2 PHE A 9 -5.074 -11.178 0.925 1.00 0.00 C ATOM 130 CE1 PHE A 9 -5.179 -11.024 3.720 1.00 0.00 C ATOM 131 CE2 PHE A 9 -6.104 -10.463 1.549 1.00 0.00 C ATOM 132 CZ PHE A 9 -6.156 -10.386 2.946 1.00 0.00 C ATOM 0 H PHE A 9 -1.310 -12.774 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.987 -10.693 0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.283 -12.872 0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.789 -13.512 1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.396 -12.231 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.033 -11.237 -0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.220 -10.964 4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.858 -9.971 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.950 -9.834 3.427 1.00 0.00 H new ATOM 142 N ASP A 10 -0.442 -12.948 2.648 1.00 0.00 N ATOM 143 CA ASP A 10 0.271 -13.124 3.909 1.00 0.00 C ATOM 144 C ASP A 10 1.390 -12.092 4.046 1.00 0.00 C ATOM 145 O ASP A 10 1.492 -11.407 5.062 1.00 0.00 O ATOM 146 CB ASP A 10 0.862 -14.536 3.981 1.00 0.00 C ATOM 147 CG ASP A 10 1.385 -14.812 5.388 1.00 0.00 C ATOM 148 OD1 ASP A 10 0.596 -15.228 6.220 1.00 0.00 O ATOM 149 OD2 ASP A 10 2.566 -14.601 5.611 1.00 0.00 O ATOM 0 H ASP A 10 -0.464 -13.777 2.054 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.436 -12.983 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.102 -15.271 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.670 -14.638 3.257 1.00 0.00 H new ATOM 154 N GLN A 11 2.226 -11.995 3.015 1.00 0.00 N ATOM 155 CA GLN A 11 3.344 -11.051 3.018 1.00 0.00 C ATOM 156 C GLN A 11 2.863 -9.612 3.129 1.00 0.00 C ATOM 157 O GLN A 11 3.227 -8.910 4.071 1.00 0.00 O ATOM 158 CB GLN A 11 4.164 -11.214 1.735 1.00 0.00 C ATOM 159 CG GLN A 11 5.415 -12.051 2.018 1.00 0.00 C ATOM 160 CD GLN A 11 6.247 -12.199 0.746 1.00 0.00 C ATOM 161 OE1 GLN A 11 7.369 -12.702 0.794 1.00 0.00 O ATOM 162 NE2 GLN A 11 5.763 -11.786 -0.395 1.00 0.00 N ATOM 0 H GLN A 11 2.152 -12.557 2.167 1.00 0.00 H new ATOM 0 HA GLN A 11 3.962 -11.271 3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.560 -11.696 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.450 -10.236 1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.010 -11.577 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.127 -13.034 2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.833 -11.369 -0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.315 -11.880 -1.247 1.00 0.00 H new ATOM 171 N VAL A 12 2.061 -9.166 2.166 1.00 0.00 N ATOM 172 CA VAL A 12 1.570 -7.796 2.193 1.00 0.00 C ATOM 173 C VAL A 12 0.887 -7.523 3.520 1.00 0.00 C ATOM 174 O VAL A 12 1.245 -6.583 4.226 1.00 0.00 O ATOM 175 CB VAL A 12 0.611 -7.535 1.019 1.00 0.00 C ATOM 176 CG1 VAL A 12 1.080 -8.319 -0.197 1.00 0.00 C ATOM 177 CG2 VAL A 12 -0.816 -7.974 1.362 1.00 0.00 C ATOM 0 H VAL A 12 1.743 -9.723 1.372 1.00 0.00 H new ATOM 0 HA VAL A 12 2.416 -7.117 2.086 1.00 0.00 H new ATOM 0 HB VAL A 12 0.611 -6.465 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.403 -8.136 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.086 -8.000 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.088 -9.383 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.471 -7.777 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.824 -9.040 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.169 -7.417 2.230 1.00 0.00 H new ATOM 187 N ALA A 13 -0.080 -8.359 3.868 1.00 0.00 N ATOM 188 CA ALA A 13 -0.778 -8.193 5.126 1.00 0.00 C ATOM 189 C ALA A 13 0.231 -8.100 6.267 1.00 0.00 C ATOM 190 O ALA A 13 0.108 -7.261 7.160 1.00 0.00 O ATOM 191 CB ALA A 13 -1.729 -9.366 5.372 1.00 0.00 C ATOM 0 H ALA A 13 -0.393 -9.148 3.303 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.362 -7.274 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.244 -9.224 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.461 -9.416 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.160 -10.295 5.404 1.00 0.00 H new ATOM 197 N GLU A 14 1.231 -8.983 6.219 1.00 0.00 N ATOM 198 CA GLU A 14 2.273 -9.023 7.241 1.00 0.00 C ATOM 199 C GLU A 14 3.058 -7.714 7.290 1.00 0.00 C ATOM 200 O GLU A 14 3.075 -7.033 8.315 1.00 0.00 O ATOM 201 CB GLU A 14 3.228 -10.190 6.972 1.00 0.00 C ATOM 202 CG GLU A 14 4.293 -10.245 8.072 1.00 0.00 C ATOM 203 CD GLU A 14 5.134 -11.519 7.951 1.00 0.00 C ATOM 204 OE1 GLU A 14 4.901 -12.286 7.028 1.00 0.00 O ATOM 205 OE2 GLU A 14 6.001 -11.709 8.788 1.00 0.00 O ATOM 0 H GLU A 14 1.339 -9.679 5.482 1.00 0.00 H new ATOM 0 HA GLU A 14 1.788 -9.163 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.673 -11.128 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.702 -10.068 5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.939 -9.370 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.814 -10.212 9.050 1.00 0.00 H new ATOM 212 N VAL A 15 3.725 -7.375 6.188 1.00 0.00 N ATOM 213 CA VAL A 15 4.525 -6.148 6.145 1.00 0.00 C ATOM 214 C VAL A 15 3.659 -4.910 6.387 1.00 0.00 C ATOM 215 O VAL A 15 4.075 -3.983 7.080 1.00 0.00 O ATOM 216 CB VAL A 15 5.254 -6.021 4.801 1.00 0.00 C ATOM 217 CG1 VAL A 15 6.200 -7.211 4.617 1.00 0.00 C ATOM 218 CG2 VAL A 15 4.239 -5.992 3.655 1.00 0.00 C ATOM 0 H VAL A 15 3.730 -7.920 5.326 1.00 0.00 H new ATOM 0 HA VAL A 15 5.264 -6.211 6.944 1.00 0.00 H new ATOM 0 HB VAL A 15 5.827 -5.094 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.718 -7.120 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.931 -7.224 5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.626 -8.138 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.765 -5.902 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.657 -6.914 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.571 -5.140 3.782 1.00 0.00 H new ATOM 228 N ILE A 16 2.459 -4.899 5.811 1.00 0.00 N ATOM 229 CA ILE A 16 1.552 -3.763 5.975 1.00 0.00 C ATOM 230 C ILE A 16 1.316 -3.465 7.455 1.00 0.00 C ATOM 231 O ILE A 16 1.685 -2.397 7.942 1.00 0.00 O ATOM 232 CB ILE A 16 0.216 -4.048 5.276 1.00 0.00 C ATOM 233 CG1 ILE A 16 0.402 -3.919 3.759 1.00 0.00 C ATOM 234 CG2 ILE A 16 -0.843 -3.041 5.741 1.00 0.00 C ATOM 235 CD1 ILE A 16 -0.657 -4.754 3.036 1.00 0.00 C ATOM 0 H ILE A 16 2.094 -5.655 5.232 1.00 0.00 H new ATOM 0 HA ILE A 16 2.014 -2.888 5.518 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.112 -5.057 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.321 -2.874 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.399 -4.255 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.788 -3.250 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.977 -3.126 6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.517 -2.030 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.522 -4.660 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.555 -5.800 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.650 -4.398 3.309 1.00 0.00 H new ATOM 247 N GLU A 17 0.694 -4.409 8.163 1.00 0.00 N ATOM 248 CA GLU A 17 0.410 -4.225 9.586 1.00 0.00 C ATOM 249 C GLU A 17 1.675 -3.838 10.353 1.00 0.00 C ATOM 250 O GLU A 17 1.610 -3.124 11.353 1.00 0.00 O ATOM 251 CB GLU A 17 -0.207 -5.504 10.177 1.00 0.00 C ATOM 252 CG GLU A 17 0.891 -6.489 10.605 1.00 0.00 C ATOM 253 CD GLU A 17 1.321 -6.220 12.048 1.00 0.00 C ATOM 254 OE1 GLU A 17 0.457 -6.181 12.909 1.00 0.00 O ATOM 255 OE2 GLU A 17 2.510 -6.061 12.271 1.00 0.00 O ATOM 0 H GLU A 17 0.380 -5.300 7.779 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.307 -3.411 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.830 -5.250 11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.857 -5.974 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.526 -7.512 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.750 -6.396 9.940 1.00 0.00 H new ATOM 262 N ARG A 18 2.821 -4.314 9.876 1.00 0.00 N ATOM 263 CA ARG A 18 4.095 -4.010 10.520 1.00 0.00 C ATOM 264 C ARG A 18 4.438 -2.530 10.361 1.00 0.00 C ATOM 265 O ARG A 18 4.751 -1.848 11.336 1.00 0.00 O ATOM 266 CB ARG A 18 5.207 -4.869 9.908 1.00 0.00 C ATOM 267 CG ARG A 18 6.435 -4.856 10.822 1.00 0.00 C ATOM 268 CD ARG A 18 7.519 -5.765 10.234 1.00 0.00 C ATOM 269 NE ARG A 18 8.696 -5.782 11.097 1.00 0.00 N ATOM 270 CZ ARG A 18 8.603 -6.108 12.382 1.00 0.00 C ATOM 271 NH1 ARG A 18 8.227 -7.310 12.724 1.00 0.00 N ATOM 272 NH2 ARG A 18 8.887 -5.227 13.301 1.00 0.00 N ATOM 0 H ARG A 18 2.894 -4.909 9.050 1.00 0.00 H new ATOM 0 HA ARG A 18 4.008 -4.235 11.583 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.855 -5.892 9.771 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.472 -4.488 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.814 -3.839 10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.162 -5.197 11.821 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.130 -6.777 10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.795 -5.415 9.239 1.00 0.00 H new ATOM 0 HE ARG A 18 9.607 -5.539 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.005 -7.999 12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.155 -7.561 13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.181 -4.288 13.033 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.815 -5.478 14.287 1.00 0.00 H new ATOM 286 N LEU A 19 4.385 -2.049 9.122 1.00 0.00 N ATOM 287 CA LEU A 19 4.700 -0.652 8.829 1.00 0.00 C ATOM 288 C LEU A 19 3.555 0.280 9.234 1.00 0.00 C ATOM 289 O LEU A 19 3.771 1.473 9.439 1.00 0.00 O ATOM 290 CB LEU A 19 4.992 -0.489 7.333 1.00 0.00 C ATOM 291 CG LEU A 19 6.478 -0.764 7.046 1.00 0.00 C ATOM 292 CD1 LEU A 19 7.349 0.286 7.744 1.00 0.00 C ATOM 293 CD2 LEU A 19 6.857 -2.162 7.553 1.00 0.00 C ATOM 0 H LEU A 19 4.128 -2.604 8.306 1.00 0.00 H new ATOM 0 HA LEU A 19 5.580 -0.378 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.370 -1.175 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.734 0.520 7.013 1.00 0.00 H new ATOM 0 HG LEU A 19 6.645 -0.712 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.400 0.084 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.090 1.278 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.178 0.244 8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.911 -2.351 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.682 -2.219 8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.248 -2.910 7.046 1.00 0.00 H new ATOM 305 N ARG A 20 2.341 -0.267 9.330 1.00 0.00 N ATOM 306 CA ARG A 20 1.163 0.530 9.697 1.00 0.00 C ATOM 307 C ARG A 20 1.504 1.598 10.743 1.00 0.00 C ATOM 308 O ARG A 20 1.339 2.791 10.487 1.00 0.00 O ATOM 309 CB ARG A 20 0.051 -0.382 10.232 1.00 0.00 C ATOM 310 CG ARG A 20 -0.940 -0.703 9.106 1.00 0.00 C ATOM 311 CD ARG A 20 -2.095 -1.547 9.656 1.00 0.00 C ATOM 312 NE ARG A 20 -3.234 -0.694 9.982 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.415 -1.213 10.311 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.506 -2.467 10.665 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.485 -0.467 10.281 1.00 0.00 N ATOM 0 H ARG A 20 2.146 -1.254 9.160 1.00 0.00 H new ATOM 0 HA ARG A 20 0.817 1.038 8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.481 -1.303 10.625 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.467 0.106 11.058 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.326 0.221 8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.433 -1.242 8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.391 -2.295 8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.769 -2.086 10.545 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.123 0.320 9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.671 -3.052 10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.412 -2.861 10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.416 0.513 10.006 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.390 -0.864 10.533 1.00 0.00 H new ATOM 329 N PRO A 21 1.971 1.198 11.906 1.00 0.00 N ATOM 330 CA PRO A 21 2.338 2.146 13.000 1.00 0.00 C ATOM 331 C PRO A 21 3.169 3.327 12.494 1.00 0.00 C ATOM 332 O PRO A 21 2.984 4.462 12.935 1.00 0.00 O ATOM 333 CB PRO A 21 3.152 1.301 13.992 1.00 0.00 C ATOM 334 CG PRO A 21 3.224 -0.089 13.434 1.00 0.00 C ATOM 335 CD PRO A 21 2.195 -0.194 12.310 1.00 0.00 C ATOM 0 HA PRO A 21 1.449 2.590 13.449 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.152 1.716 14.122 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.679 1.298 14.974 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.225 -0.298 13.056 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.017 -0.824 14.212 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.569 -0.795 11.481 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.273 -0.663 12.654 1.00 0.00 H new ATOM 343 N PHE A 22 4.084 3.049 11.567 1.00 0.00 N ATOM 344 CA PHE A 22 4.941 4.091 11.007 1.00 0.00 C ATOM 345 C PHE A 22 4.157 4.953 10.026 1.00 0.00 C ATOM 346 O PHE A 22 4.267 6.181 10.036 1.00 0.00 O ATOM 347 CB PHE A 22 6.133 3.457 10.286 1.00 0.00 C ATOM 348 CG PHE A 22 7.144 2.985 11.302 1.00 0.00 C ATOM 349 CD1 PHE A 22 7.978 3.912 11.939 1.00 0.00 C ATOM 350 CD2 PHE A 22 7.249 1.622 11.606 1.00 0.00 C ATOM 351 CE1 PHE A 22 8.917 3.477 12.880 1.00 0.00 C ATOM 352 CE2 PHE A 22 8.189 1.187 12.547 1.00 0.00 C ATOM 353 CZ PHE A 22 9.023 2.114 13.185 1.00 0.00 C ATOM 0 H PHE A 22 4.250 2.116 11.190 1.00 0.00 H new ATOM 0 HA PHE A 22 5.301 4.717 11.823 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.798 2.619 9.675 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.590 4.181 9.612 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.896 4.963 11.704 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.605 0.907 11.115 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.560 4.192 13.371 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.271 0.136 12.781 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.748 1.778 13.912 1.00 0.00 H new ATOM 363 N LEU A 23 3.365 4.299 9.182 1.00 0.00 N ATOM 364 CA LEU A 23 2.559 5.009 8.198 1.00 0.00 C ATOM 365 C LEU A 23 1.603 5.974 8.894 1.00 0.00 C ATOM 366 O LEU A 23 1.508 7.141 8.525 1.00 0.00 O ATOM 367 CB LEU A 23 1.754 4.012 7.354 1.00 0.00 C ATOM 368 CG LEU A 23 2.695 3.000 6.688 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.867 1.908 6.003 1.00 0.00 C ATOM 370 CD2 LEU A 23 3.564 3.709 5.642 1.00 0.00 C ATOM 0 H LEU A 23 3.265 3.284 9.160 1.00 0.00 H new ATOM 0 HA LEU A 23 3.227 5.574 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.034 3.490 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.184 4.545 6.593 1.00 0.00 H new ATOM 0 HG LEU A 23 3.337 2.553 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.535 1.188 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.252 1.399 6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.225 2.359 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.230 2.986 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.925 4.160 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.155 4.486 6.126 1.00 0.00 H new ATOM 382 N LEU A 24 0.897 5.472 9.904 1.00 0.00 N ATOM 383 CA LEU A 24 -0.057 6.288 10.651 1.00 0.00 C ATOM 384 C LEU A 24 0.602 7.566 11.162 1.00 0.00 C ATOM 385 O LEU A 24 0.022 8.649 11.086 1.00 0.00 O ATOM 386 CB LEU A 24 -0.604 5.474 11.831 1.00 0.00 C ATOM 387 CG LEU A 24 -1.399 6.377 12.787 1.00 0.00 C ATOM 388 CD1 LEU A 24 -2.579 7.016 12.048 1.00 0.00 C ATOM 389 CD2 LEU A 24 -1.924 5.535 13.954 1.00 0.00 C ATOM 0 H LEU A 24 0.967 4.506 10.224 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.874 6.570 9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.244 4.673 11.462 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.219 5.002 12.368 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.747 7.166 13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.136 7.654 12.734 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.207 7.615 11.217 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.235 6.234 11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.489 6.170 14.636 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.572 4.747 13.571 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.085 5.088 14.486 1.00 0.00 H new ATOM 401 N ARG A 25 1.812 7.425 11.690 1.00 0.00 N ATOM 402 CA ARG A 25 2.546 8.565 12.226 1.00 0.00 C ATOM 403 C ARG A 25 2.758 9.657 11.175 1.00 0.00 C ATOM 404 O ARG A 25 2.538 10.837 11.452 1.00 0.00 O ATOM 405 CB ARG A 25 3.906 8.102 12.762 1.00 0.00 C ATOM 406 CG ARG A 25 3.780 7.740 14.246 1.00 0.00 C ATOM 407 CD ARG A 25 3.928 9.002 15.101 1.00 0.00 C ATOM 408 NE ARG A 25 5.259 9.578 14.932 1.00 0.00 N ATOM 409 CZ ARG A 25 6.337 8.983 15.434 1.00 0.00 C ATOM 410 NH1 ARG A 25 6.391 8.694 16.705 1.00 0.00 N ATOM 411 NH2 ARG A 25 7.341 8.690 14.654 1.00 0.00 N ATOM 0 H ARG A 25 2.305 6.535 11.758 1.00 0.00 H new ATOM 0 HA ARG A 25 1.948 8.989 13.033 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.256 7.239 12.196 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.647 8.891 12.632 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.814 7.273 14.435 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.545 7.013 14.519 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.170 9.732 14.817 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.760 8.760 16.150 1.00 0.00 H new ATOM 0 HE ARG A 25 5.364 10.453 14.419 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.606 8.924 17.314 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.218 8.238 17.090 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.298 8.917 13.661 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.169 8.234 15.038 1.00 0.00 H new ATOM 425 N ASP A 26 3.217 9.270 9.984 1.00 0.00 N ATOM 426 CA ASP A 26 3.487 10.252 8.930 1.00 0.00 C ATOM 427 C ASP A 26 2.384 10.307 7.869 1.00 0.00 C ATOM 428 O ASP A 26 1.818 11.371 7.615 1.00 0.00 O ATOM 429 CB ASP A 26 4.821 9.920 8.256 1.00 0.00 C ATOM 430 CG ASP A 26 5.979 10.249 9.197 1.00 0.00 C ATOM 431 OD1 ASP A 26 6.134 9.546 10.183 1.00 0.00 O ATOM 432 OD2 ASP A 26 6.693 11.198 8.917 1.00 0.00 O ATOM 0 H ASP A 26 3.407 8.302 9.726 1.00 0.00 H new ATOM 0 HA ASP A 26 3.525 11.232 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.849 8.864 7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.921 10.487 7.331 1.00 0.00 H new ATOM 437 N GLY A 27 2.104 9.172 7.230 1.00 0.00 N ATOM 438 CA GLY A 27 1.092 9.129 6.173 1.00 0.00 C ATOM 439 C GLY A 27 -0.299 8.798 6.710 1.00 0.00 C ATOM 440 O GLY A 27 -1.152 9.676 6.826 1.00 0.00 O ATOM 0 H GLY A 27 2.557 8.279 7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.062 10.092 5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.378 8.384 5.430 1.00 0.00 H new ATOM 444 N GLY A 28 -0.524 7.525 7.023 1.00 0.00 N ATOM 445 CA GLY A 28 -1.821 7.087 7.533 1.00 0.00 C ATOM 446 C GLY A 28 -1.859 5.570 7.684 1.00 0.00 C ATOM 447 O GLY A 28 -0.903 4.963 8.161 1.00 0.00 O ATOM 0 H GLY A 28 0.170 6.782 6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.016 7.558 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.611 7.409 6.855 1.00 0.00 H new ATOM 451 N ASP A 29 -2.966 4.958 7.272 1.00 0.00 N ATOM 452 CA ASP A 29 -3.104 3.508 7.368 1.00 0.00 C ATOM 453 C ASP A 29 -3.580 2.929 6.042 1.00 0.00 C ATOM 454 O ASP A 29 -4.544 3.416 5.451 1.00 0.00 O ATOM 455 CB ASP A 29 -4.095 3.142 8.477 1.00 0.00 C ATOM 456 CG ASP A 29 -3.377 3.094 9.823 1.00 0.00 C ATOM 457 OD1 ASP A 29 -2.630 2.154 10.043 1.00 0.00 O ATOM 458 OD2 ASP A 29 -3.587 3.997 10.616 1.00 0.00 O ATOM 0 H ASP A 29 -3.773 5.438 6.872 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.128 3.086 7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.902 3.874 8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.551 2.175 8.264 1.00 0.00 H new ATOM 463 N CYS A 30 -2.894 1.887 5.584 1.00 0.00 N ATOM 464 CA CYS A 30 -3.245 1.237 4.327 1.00 0.00 C ATOM 465 C CYS A 30 -4.144 0.034 4.583 1.00 0.00 C ATOM 466 O CYS A 30 -4.136 -0.539 5.674 1.00 0.00 O ATOM 467 CB CYS A 30 -1.976 0.784 3.602 1.00 0.00 C ATOM 468 SG CYS A 30 -2.354 0.474 1.860 1.00 0.00 S ATOM 0 H CYS A 30 -2.093 1.475 6.064 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.782 1.953 3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.203 1.548 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.582 -0.120 4.066 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.275 0.091 1.243 1.00 0.00 H new ATOM 474 N THR A 31 -4.918 -0.343 3.570 1.00 0.00 N ATOM 475 CA THR A 31 -5.823 -1.480 3.690 1.00 0.00 C ATOM 476 C THR A 31 -6.011 -2.155 2.334 1.00 0.00 C ATOM 477 O THR A 31 -6.577 -1.568 1.411 1.00 0.00 O ATOM 478 CB THR A 31 -7.180 -1.014 4.229 1.00 0.00 C ATOM 479 OG1 THR A 31 -6.995 -0.388 5.491 1.00 0.00 O ATOM 480 CG2 THR A 31 -8.117 -2.215 4.386 1.00 0.00 C ATOM 0 H THR A 31 -4.937 0.120 2.661 1.00 0.00 H new ATOM 0 HA THR A 31 -5.388 -2.199 4.384 1.00 0.00 H new ATOM 0 HB THR A 31 -7.622 -0.305 3.529 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.861 -0.088 5.837 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.080 -1.878 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.260 -2.694 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.679 -2.929 5.083 1.00 0.00 H new ATOM 488 N LEU A 32 -5.535 -3.392 2.226 1.00 0.00 N ATOM 489 CA LEU A 32 -5.656 -4.144 0.981 1.00 0.00 C ATOM 490 C LEU A 32 -7.113 -4.519 0.730 1.00 0.00 C ATOM 491 O LEU A 32 -7.771 -5.102 1.594 1.00 0.00 O ATOM 492 CB LEU A 32 -4.802 -5.413 1.051 1.00 0.00 C ATOM 493 CG LEU A 32 -4.529 -5.927 -0.366 1.00 0.00 C ATOM 494 CD1 LEU A 32 -3.243 -5.291 -0.903 1.00 0.00 C ATOM 495 CD2 LEU A 32 -4.373 -7.451 -0.338 1.00 0.00 C ATOM 0 H LEU A 32 -5.065 -3.892 2.980 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.304 -3.519 0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.861 -5.203 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.316 -6.178 1.633 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.364 -5.660 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.049 -5.657 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.355 -4.207 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.408 -5.556 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.179 -7.815 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.540 -7.720 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.289 -7.904 0.041 1.00 0.00 H new ATOM 507 N VAL A 33 -7.612 -4.174 -0.454 1.00 0.00 N ATOM 508 CA VAL A 33 -8.996 -4.471 -0.810 1.00 0.00 C ATOM 509 C VAL A 33 -9.078 -5.714 -1.694 1.00 0.00 C ATOM 510 O VAL A 33 -9.994 -6.525 -1.547 1.00 0.00 O ATOM 511 CB VAL A 33 -9.620 -3.274 -1.538 1.00 0.00 C ATOM 512 CG1 VAL A 33 -11.091 -3.567 -1.851 1.00 0.00 C ATOM 513 CG2 VAL A 33 -9.528 -2.029 -0.649 1.00 0.00 C ATOM 0 H VAL A 33 -7.082 -3.691 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.550 -4.664 0.109 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.080 -3.100 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.530 -2.714 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.159 -4.450 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.632 -3.746 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.972 -1.179 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.065 -2.207 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.482 -1.815 -0.430 1.00 0.00 H new ATOM 523 N ASP A 34 -8.126 -5.860 -2.617 1.00 0.00 N ATOM 524 CA ASP A 34 -8.124 -7.012 -3.515 1.00 0.00 C ATOM 525 C ASP A 34 -6.728 -7.265 -4.078 1.00 0.00 C ATOM 526 O ASP A 34 -6.054 -6.339 -4.532 1.00 0.00 O ATOM 527 CB ASP A 34 -9.103 -6.773 -4.674 1.00 0.00 C ATOM 528 CG ASP A 34 -9.556 -8.099 -5.294 1.00 0.00 C ATOM 529 OD1 ASP A 34 -9.117 -9.140 -4.831 1.00 0.00 O ATOM 530 OD2 ASP A 34 -10.339 -8.051 -6.229 1.00 0.00 O ATOM 0 H ASP A 34 -7.358 -5.205 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.434 -7.887 -2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.971 -6.221 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.627 -6.156 -5.436 1.00 0.00 H new ATOM 535 N VAL A 35 -6.308 -8.530 -4.054 1.00 0.00 N ATOM 536 CA VAL A 35 -4.997 -8.908 -4.574 1.00 0.00 C ATOM 537 C VAL A 35 -5.151 -9.586 -5.936 1.00 0.00 C ATOM 538 O VAL A 35 -5.788 -10.634 -6.051 1.00 0.00 O ATOM 539 CB VAL A 35 -4.288 -9.850 -3.584 1.00 0.00 C ATOM 540 CG1 VAL A 35 -4.984 -11.217 -3.556 1.00 0.00 C ATOM 541 CG2 VAL A 35 -2.826 -10.032 -4.007 1.00 0.00 C ATOM 0 H VAL A 35 -6.855 -9.306 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.391 -8.011 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.332 -9.410 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.471 -11.872 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.021 -11.091 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.955 -11.661 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.325 -10.699 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.788 -10.462 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.325 -9.064 -4.009 1.00 0.00 H new ATOM 551 N GLU A 36 -4.573 -8.974 -6.969 1.00 0.00 N ATOM 552 CA GLU A 36 -4.661 -9.525 -8.321 1.00 0.00 C ATOM 553 C GLU A 36 -3.272 -9.822 -8.875 1.00 0.00 C ATOM 554 O GLU A 36 -2.262 -9.604 -8.204 1.00 0.00 O ATOM 555 CB GLU A 36 -5.373 -8.536 -9.251 1.00 0.00 C ATOM 556 CG GLU A 36 -6.741 -8.163 -8.672 1.00 0.00 C ATOM 557 CD GLU A 36 -7.605 -9.412 -8.507 1.00 0.00 C ATOM 558 OE1 GLU A 36 -7.835 -10.086 -9.497 1.00 0.00 O ATOM 559 OE2 GLU A 36 -8.025 -9.673 -7.393 1.00 0.00 O ATOM 0 H GLU A 36 -4.044 -8.105 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.230 -10.453 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.765 -7.640 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.496 -8.978 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.613 -7.671 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.240 -7.451 -9.330 1.00 0.00 H new ATOM 566 N ASP A 37 -3.235 -10.313 -10.111 1.00 0.00 N ATOM 567 CA ASP A 37 -1.971 -10.632 -10.767 1.00 0.00 C ATOM 568 C ASP A 37 -1.210 -9.352 -11.103 1.00 0.00 C ATOM 569 O ASP A 37 -0.021 -9.390 -11.426 1.00 0.00 O ATOM 570 CB ASP A 37 -2.239 -11.422 -12.052 1.00 0.00 C ATOM 571 CG ASP A 37 -1.874 -12.891 -11.852 1.00 0.00 C ATOM 572 OD1 ASP A 37 -2.582 -13.563 -11.120 1.00 0.00 O ATOM 573 OD2 ASP A 37 -0.892 -13.323 -12.434 1.00 0.00 O ATOM 0 H ASP A 37 -4.063 -10.498 -10.677 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.367 -11.235 -10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.290 -11.335 -12.329 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.657 -11.003 -12.873 1.00 0.00 H new ATOM 578 N GLY A 38 -1.908 -8.221 -11.026 1.00 0.00 N ATOM 579 CA GLY A 38 -1.302 -6.929 -11.323 1.00 0.00 C ATOM 580 C GLY A 38 -2.266 -5.790 -11.004 1.00 0.00 C ATOM 581 O GLY A 38 -1.843 -4.706 -10.608 1.00 0.00 O ATOM 0 H GLY A 38 -2.892 -8.175 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.387 -6.810 -10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.020 -6.888 -12.375 1.00 0.00 H new ATOM 585 N ILE A 39 -3.562 -6.048 -11.183 1.00 0.00 N ATOM 586 CA ILE A 39 -4.588 -5.041 -10.916 1.00 0.00 C ATOM 587 C ILE A 39 -4.967 -5.039 -9.436 1.00 0.00 C ATOM 588 O ILE A 39 -6.124 -5.268 -9.076 1.00 0.00 O ATOM 589 CB ILE A 39 -5.833 -5.314 -11.772 1.00 0.00 C ATOM 590 CG1 ILE A 39 -5.414 -5.581 -13.225 1.00 0.00 C ATOM 591 CG2 ILE A 39 -6.761 -4.094 -11.730 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.100 -7.069 -13.412 1.00 0.00 C ATOM 0 H ILE A 39 -3.925 -6.943 -11.511 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.184 -4.062 -11.175 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.355 -6.186 -11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.212 -5.281 -13.904 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.539 -4.981 -13.476 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.645 -4.288 -12.338 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.064 -3.902 -10.701 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.235 -3.223 -12.122 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.804 -7.251 -14.445 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.287 -7.356 -12.745 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.986 -7.660 -13.179 1.00 0.00 H new ATOM 604 N VAL A 40 -3.984 -4.777 -8.584 1.00 0.00 N ATOM 605 CA VAL A 40 -4.217 -4.742 -7.142 1.00 0.00 C ATOM 606 C VAL A 40 -5.069 -3.525 -6.775 1.00 0.00 C ATOM 607 O VAL A 40 -5.212 -2.595 -7.570 1.00 0.00 O ATOM 608 CB VAL A 40 -2.866 -4.709 -6.402 1.00 0.00 C ATOM 609 CG1 VAL A 40 -2.939 -3.801 -5.168 1.00 0.00 C ATOM 610 CG2 VAL A 40 -2.505 -6.129 -5.958 1.00 0.00 C ATOM 0 H VAL A 40 -3.021 -4.586 -8.863 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.759 -5.638 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.107 -4.316 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.973 -3.795 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.194 -2.787 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.702 -4.175 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.550 -6.114 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.279 -6.510 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.429 -6.775 -6.832 1.00 0.00 H new ATOM 620 N LYS A 41 -5.635 -3.545 -5.568 1.00 0.00 N ATOM 621 CA LYS A 41 -6.478 -2.445 -5.103 1.00 0.00 C ATOM 622 C LYS A 41 -6.412 -2.331 -3.584 1.00 0.00 C ATOM 623 O LYS A 41 -6.745 -3.275 -2.866 1.00 0.00 O ATOM 624 CB LYS A 41 -7.940 -2.666 -5.521 1.00 0.00 C ATOM 625 CG LYS A 41 -8.020 -3.611 -6.725 1.00 0.00 C ATOM 626 CD LYS A 41 -9.488 -3.911 -7.045 1.00 0.00 C ATOM 627 CE LYS A 41 -9.923 -3.103 -8.270 1.00 0.00 C ATOM 628 NZ LYS A 41 -9.840 -1.646 -7.962 1.00 0.00 N ATOM 0 H LYS A 41 -5.526 -4.307 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.107 -1.526 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.503 -3.083 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.401 -1.710 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.534 -3.158 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.487 -4.537 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.619 -4.976 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.116 -3.660 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.286 -3.342 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.942 -3.368 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.590 -1.140 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.961 -1.500 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.912 -1.281 -8.257 1.00 0.00 H new ATOM 642 N LEU A 42 -5.983 -1.165 -3.104 1.00 0.00 N ATOM 643 CA LEU A 42 -5.878 -0.921 -1.668 1.00 0.00 C ATOM 644 C LEU A 42 -6.570 0.390 -1.304 1.00 0.00 C ATOM 645 O LEU A 42 -7.126 1.068 -2.172 1.00 0.00 O ATOM 646 CB LEU A 42 -4.406 -0.877 -1.236 1.00 0.00 C ATOM 647 CG LEU A 42 -3.590 -0.031 -2.222 1.00 0.00 C ATOM 648 CD1 LEU A 42 -2.414 0.619 -1.486 1.00 0.00 C ATOM 649 CD2 LEU A 42 -3.050 -0.924 -3.345 1.00 0.00 C ATOM 0 H LEU A 42 -5.703 -0.377 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.371 -1.739 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.326 -0.458 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.002 -1.888 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.230 0.742 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.834 1.220 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.792 1.257 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.778 -0.157 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.471 -0.320 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.412 -1.698 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.883 -1.390 -3.872 1.00 0.00 H new ATOM 661 N GLN A 43 -6.543 0.739 -0.019 1.00 0.00 N ATOM 662 CA GLN A 43 -7.185 1.966 0.441 1.00 0.00 C ATOM 663 C GLN A 43 -6.383 2.618 1.566 1.00 0.00 C ATOM 664 O GLN A 43 -6.211 2.040 2.641 1.00 0.00 O ATOM 665 CB GLN A 43 -8.603 1.652 0.934 1.00 0.00 C ATOM 666 CG GLN A 43 -9.180 2.859 1.685 1.00 0.00 C ATOM 667 CD GLN A 43 -10.673 2.658 1.931 1.00 0.00 C ATOM 668 OE1 GLN A 43 -11.120 2.664 3.078 1.00 0.00 O ATOM 669 NE2 GLN A 43 -11.474 2.479 0.916 1.00 0.00 N ATOM 0 H GLN A 43 -6.088 0.195 0.714 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.231 2.663 -0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.243 1.400 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.584 0.781 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.661 2.988 2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.018 3.769 1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.101 2.474 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.473 2.344 1.072 1.00 0.00 H new ATOM 678 N LEU A 44 -5.909 3.834 1.304 1.00 0.00 N ATOM 679 CA LEU A 44 -5.138 4.585 2.288 1.00 0.00 C ATOM 680 C LEU A 44 -6.066 5.476 3.113 1.00 0.00 C ATOM 681 O LEU A 44 -7.077 5.962 2.607 1.00 0.00 O ATOM 682 CB LEU A 44 -4.097 5.452 1.569 1.00 0.00 C ATOM 683 CG LEU A 44 -3.064 5.982 2.571 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.937 4.958 2.740 1.00 0.00 C ATOM 685 CD2 LEU A 44 -2.482 7.300 2.049 1.00 0.00 C ATOM 0 H LEU A 44 -6.046 4.319 0.417 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.633 3.886 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.598 4.867 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.590 6.286 1.069 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.546 6.150 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.205 5.337 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.350 4.020 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.453 4.787 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.747 7.680 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.001 7.129 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.283 8.030 1.931 1.00 0.00 H new ATOM 697 N HIS A 45 -5.714 5.696 4.378 1.00 0.00 N ATOM 698 CA HIS A 45 -6.524 6.546 5.248 1.00 0.00 C ATOM 699 C HIS A 45 -5.735 6.954 6.492 1.00 0.00 C ATOM 700 O HIS A 45 -5.295 6.105 7.268 1.00 0.00 O ATOM 701 CB HIS A 45 -7.828 5.831 5.643 1.00 0.00 C ATOM 702 CG HIS A 45 -7.565 4.765 6.676 1.00 0.00 C ATOM 703 ND1 HIS A 45 -7.693 5.006 8.035 1.00 0.00 N ATOM 704 CD2 HIS A 45 -7.199 3.446 6.562 1.00 0.00 C ATOM 705 CE1 HIS A 45 -7.410 3.859 8.679 1.00 0.00 C ATOM 706 NE2 HIS A 45 -7.102 2.876 7.828 1.00 0.00 N ATOM 0 H HIS A 45 -4.883 5.303 4.820 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.783 7.450 4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -8.540 6.556 6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.284 5.383 4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.015 2.930 5.631 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.429 3.747 9.753 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.850 1.915 8.057 1.00 0.00 H new ATOM 714 N GLY A 46 -5.558 8.262 6.668 1.00 0.00 N ATOM 715 CA GLY A 46 -4.818 8.781 7.815 1.00 0.00 C ATOM 716 C GLY A 46 -5.766 9.380 8.845 1.00 0.00 C ATOM 717 O GLY A 46 -5.450 9.437 10.034 1.00 0.00 O ATOM 0 H GLY A 46 -5.915 8.978 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.237 7.979 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.109 9.539 7.483 1.00 0.00 H new ATOM 721 N ALA A 47 -6.931 9.819 8.379 1.00 0.00 N ATOM 722 CA ALA A 47 -7.931 10.410 9.262 1.00 0.00 C ATOM 723 C ALA A 47 -9.221 10.680 8.488 1.00 0.00 C ATOM 724 O ALA A 47 -9.986 9.757 8.207 1.00 0.00 O ATOM 725 CB ALA A 47 -7.396 11.713 9.866 1.00 0.00 C ATOM 0 H ALA A 47 -7.206 9.777 7.398 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.145 9.710 10.070 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.150 12.146 10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.492 11.504 10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.165 12.417 9.066 1.00 0.00 H new ATOM 731 N CYS A 48 -9.451 11.945 8.142 1.00 0.00 N ATOM 732 CA CYS A 48 -10.649 12.325 7.396 1.00 0.00 C ATOM 733 C CYS A 48 -10.614 13.809 7.043 1.00 0.00 C ATOM 734 O CYS A 48 -10.949 14.662 7.867 1.00 0.00 O ATOM 735 CB CYS A 48 -11.906 12.025 8.219 1.00 0.00 C ATOM 736 SG CYS A 48 -13.344 12.788 7.425 1.00 0.00 S ATOM 0 H CYS A 48 -8.827 12.721 8.365 1.00 0.00 H new ATOM 0 HA CYS A 48 -10.674 11.742 6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -12.051 10.948 8.301 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -11.790 12.409 9.232 1.00 0.00 H new ATOM 0 HG CYS A 48 -14.411 12.532 8.122 1.00 0.00 H new ATOM 742 N GLY A 49 -10.212 14.108 5.810 1.00 0.00 N ATOM 743 CA GLY A 49 -10.141 15.490 5.346 1.00 0.00 C ATOM 744 C GLY A 49 -11.067 15.709 4.155 1.00 0.00 C ATOM 745 O GLY A 49 -12.115 15.069 4.046 1.00 0.00 O ATOM 0 H GLY A 49 -9.932 13.414 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.417 16.165 6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.116 15.732 5.065 1.00 0.00 H new ATOM 749 N THR A 50 -10.671 16.614 3.262 1.00 0.00 N ATOM 750 CA THR A 50 -11.469 16.913 2.075 1.00 0.00 C ATOM 751 C THR A 50 -10.564 17.109 0.860 1.00 0.00 C ATOM 752 O THR A 50 -10.844 16.594 -0.223 1.00 0.00 O ATOM 753 CB THR A 50 -12.305 18.178 2.303 1.00 0.00 C ATOM 754 OG1 THR A 50 -11.452 19.256 2.665 1.00 0.00 O ATOM 755 CG2 THR A 50 -13.319 17.933 3.424 1.00 0.00 C ATOM 0 H THR A 50 -9.807 17.151 3.337 1.00 0.00 H new ATOM 0 HA THR A 50 -12.136 16.071 1.889 1.00 0.00 H new ATOM 0 HB THR A 50 -12.835 18.427 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.988 20.064 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 50 -13.911 18.834 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.978 17.111 3.145 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.791 17.679 4.343 1.00 0.00 H new ATOM 763 N CYS A 51 -9.479 17.856 1.054 1.00 0.00 N ATOM 764 CA CYS A 51 -8.531 18.118 -0.025 1.00 0.00 C ATOM 765 C CYS A 51 -7.099 17.963 0.486 1.00 0.00 C ATOM 766 O CYS A 51 -6.427 18.950 0.792 1.00 0.00 O ATOM 767 CB CYS A 51 -8.738 19.535 -0.570 1.00 0.00 C ATOM 768 SG CYS A 51 -10.362 19.646 -1.361 1.00 0.00 S ATOM 0 H CYS A 51 -9.236 18.289 1.945 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.701 17.399 -0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.665 20.262 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.955 19.778 -1.288 1.00 0.00 H new ATOM 0 HG CYS A 51 -10.539 20.849 -1.822 1.00 0.00 H new ATOM 774 N PRO A 52 -6.631 16.744 0.592 1.00 0.00 N ATOM 775 CA PRO A 52 -5.259 16.444 1.085 1.00 0.00 C ATOM 776 C PRO A 52 -4.186 16.761 0.047 1.00 0.00 C ATOM 777 O PRO A 52 -4.160 16.172 -1.034 1.00 0.00 O ATOM 778 CB PRO A 52 -5.282 14.941 1.403 1.00 0.00 C ATOM 779 CG PRO A 52 -6.662 14.447 1.088 1.00 0.00 C ATOM 780 CD PRO A 52 -7.354 15.517 0.250 1.00 0.00 C ATOM 0 HA PRO A 52 -5.007 17.056 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.538 14.410 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.039 14.765 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.616 13.504 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.220 14.258 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.288 15.297 -0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.413 15.595 0.494 1.00 0.00 H new ATOM 788 N SER A 53 -3.297 17.689 0.393 1.00 0.00 N ATOM 789 CA SER A 53 -2.213 18.078 -0.504 1.00 0.00 C ATOM 790 C SER A 53 -0.976 17.222 -0.240 1.00 0.00 C ATOM 791 O SER A 53 -0.126 17.056 -1.116 1.00 0.00 O ATOM 792 CB SER A 53 -1.875 19.558 -0.299 1.00 0.00 C ATOM 793 OG SER A 53 -0.602 19.837 -0.867 1.00 0.00 O ATOM 0 H SER A 53 -3.306 18.184 1.285 1.00 0.00 H new ATOM 0 HA SER A 53 -2.535 17.922 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.637 20.184 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.871 19.797 0.764 1.00 0.00 H new ATOM 0 HG SER A 53 -0.386 20.784 -0.737 1.00 0.00 H new ATOM 799 N SER A 54 -0.883 16.684 0.976 1.00 0.00 N ATOM 800 CA SER A 54 0.255 15.850 1.354 1.00 0.00 C ATOM 801 C SER A 54 0.041 14.404 0.912 1.00 0.00 C ATOM 802 O SER A 54 0.964 13.756 0.417 1.00 0.00 O ATOM 803 CB SER A 54 0.461 15.909 2.872 1.00 0.00 C ATOM 804 OG SER A 54 -0.178 14.796 3.488 1.00 0.00 O ATOM 0 H SER A 54 -1.578 16.810 1.712 1.00 0.00 H new ATOM 0 HA SER A 54 1.144 16.232 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.526 15.903 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.053 16.839 3.268 1.00 0.00 H new ATOM 0 HG SER A 54 -0.043 14.837 4.458 1.00 0.00 H new ATOM 810 N THR A 55 -1.181 13.903 1.096 1.00 0.00 N ATOM 811 CA THR A 55 -1.499 12.530 0.714 1.00 0.00 C ATOM 812 C THR A 55 -1.200 12.305 -0.765 1.00 0.00 C ATOM 813 O THR A 55 -0.755 11.228 -1.157 1.00 0.00 O ATOM 814 CB THR A 55 -2.976 12.228 0.997 1.00 0.00 C ATOM 815 OG1 THR A 55 -3.350 12.827 2.230 1.00 0.00 O ATOM 816 CG2 THR A 55 -3.189 10.712 1.082 1.00 0.00 C ATOM 0 H THR A 55 -1.959 14.423 1.503 1.00 0.00 H new ATOM 0 HA THR A 55 -0.879 11.857 1.305 1.00 0.00 H new ATOM 0 HB THR A 55 -3.588 12.632 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.049 12.263 2.972 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.240 10.503 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.902 10.251 0.137 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.577 10.303 1.886 1.00 0.00 H new ATOM 824 N ILE A 56 -1.435 13.333 -1.579 1.00 0.00 N ATOM 825 CA ILE A 56 -1.173 13.237 -3.012 1.00 0.00 C ATOM 826 C ILE A 56 0.300 12.918 -3.257 1.00 0.00 C ATOM 827 O ILE A 56 0.631 12.024 -4.039 1.00 0.00 O ATOM 828 CB ILE A 56 -1.541 14.554 -3.707 1.00 0.00 C ATOM 829 CG1 ILE A 56 -3.063 14.742 -3.678 1.00 0.00 C ATOM 830 CG2 ILE A 56 -1.060 14.523 -5.163 1.00 0.00 C ATOM 831 CD1 ILE A 56 -3.411 16.183 -4.058 1.00 0.00 C ATOM 0 H ILE A 56 -1.803 14.234 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.785 12.435 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.061 15.382 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.538 14.048 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.449 14.514 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.323 15.460 -5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.022 14.393 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.536 13.694 -5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.493 16.314 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.949 16.868 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.040 16.395 -5.061 1.00 0.00 H new ATOM 843 N THR A 57 1.179 13.653 -2.578 1.00 0.00 N ATOM 844 CA THR A 57 2.615 13.439 -2.724 1.00 0.00 C ATOM 845 C THR A 57 2.993 12.048 -2.227 1.00 0.00 C ATOM 846 O THR A 57 3.670 11.291 -2.924 1.00 0.00 O ATOM 847 CB THR A 57 3.390 14.496 -1.928 1.00 0.00 C ATOM 848 OG1 THR A 57 2.746 15.756 -2.059 1.00 0.00 O ATOM 849 CG2 THR A 57 4.822 14.593 -2.462 1.00 0.00 C ATOM 0 H THR A 57 0.924 14.396 -1.927 1.00 0.00 H new ATOM 0 HA THR A 57 2.873 13.524 -3.780 1.00 0.00 H new ATOM 0 HB THR A 57 3.416 14.210 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.241 16.431 -1.549 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.372 15.345 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.316 13.627 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.800 14.877 -3.514 1.00 0.00 H new ATOM 857 N LEU A 58 2.543 11.720 -1.017 1.00 0.00 N ATOM 858 CA LEU A 58 2.828 10.417 -0.427 1.00 0.00 C ATOM 859 C LEU A 58 2.296 9.301 -1.320 1.00 0.00 C ATOM 860 O LEU A 58 2.989 8.318 -1.576 1.00 0.00 O ATOM 861 CB LEU A 58 2.185 10.316 0.959 1.00 0.00 C ATOM 862 CG LEU A 58 2.966 9.312 1.814 1.00 0.00 C ATOM 863 CD1 LEU A 58 4.091 10.037 2.557 1.00 0.00 C ATOM 864 CD2 LEU A 58 2.021 8.661 2.828 1.00 0.00 C ATOM 0 H LEU A 58 1.982 12.337 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 58 3.909 10.310 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.180 11.294 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.146 10.000 0.867 1.00 0.00 H new ATOM 0 HG LEU A 58 3.394 8.544 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.646 9.322 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.765 10.499 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.665 10.807 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.576 7.947 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.592 9.429 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.221 8.143 2.299 1.00 0.00 H new ATOM 876 N LYS A 59 1.060 9.469 -1.789 1.00 0.00 N ATOM 877 CA LYS A 59 0.424 8.482 -2.659 1.00 0.00 C ATOM 878 C LYS A 59 1.383 8.041 -3.759 1.00 0.00 C ATOM 879 O LYS A 59 1.704 6.858 -3.881 1.00 0.00 O ATOM 880 CB LYS A 59 -0.839 9.084 -3.286 1.00 0.00 C ATOM 881 CG LYS A 59 -1.518 8.049 -4.186 1.00 0.00 C ATOM 882 CD LYS A 59 -2.738 8.679 -4.865 1.00 0.00 C ATOM 883 CE LYS A 59 -3.715 7.577 -5.281 1.00 0.00 C ATOM 884 NZ LYS A 59 -4.640 8.098 -6.328 1.00 0.00 N ATOM 0 H LYS A 59 0.479 10.281 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 59 0.155 7.611 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.526 9.405 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.581 9.970 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.816 7.690 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.823 7.184 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.227 9.376 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.426 9.252 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.167 6.716 -5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.284 7.236 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.614 7.809 -6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.584 9.136 -6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.368 7.713 -7.255 1.00 0.00 H new ATOM 898 N ALA A 60 1.841 9.004 -4.554 1.00 0.00 N ATOM 899 CA ALA A 60 2.772 8.712 -5.638 1.00 0.00 C ATOM 900 C ALA A 60 4.069 8.127 -5.084 1.00 0.00 C ATOM 901 O ALA A 60 4.765 7.375 -5.767 1.00 0.00 O ATOM 902 CB ALA A 60 3.075 9.992 -6.418 1.00 0.00 C ATOM 0 H ALA A 60 1.584 9.987 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 60 2.314 7.981 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.771 9.769 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.150 10.392 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.520 10.729 -5.749 1.00 0.00 H new ATOM 908 N GLY A 61 4.383 8.482 -3.839 1.00 0.00 N ATOM 909 CA GLY A 61 5.595 7.996 -3.190 1.00 0.00 C ATOM 910 C GLY A 61 5.542 6.486 -2.977 1.00 0.00 C ATOM 911 O GLY A 61 6.423 5.757 -3.435 1.00 0.00 O ATOM 0 H GLY A 61 3.815 9.103 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.463 8.249 -3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.722 8.497 -2.230 1.00 0.00 H new ATOM 915 N ILE A 62 4.505 6.023 -2.280 1.00 0.00 N ATOM 916 CA ILE A 62 4.353 4.592 -2.014 1.00 0.00 C ATOM 917 C ILE A 62 4.239 3.824 -3.328 1.00 0.00 C ATOM 918 O ILE A 62 4.991 2.881 -3.570 1.00 0.00 O ATOM 919 CB ILE A 62 3.110 4.315 -1.145 1.00 0.00 C ATOM 920 CG1 ILE A 62 2.374 5.626 -0.828 1.00 0.00 C ATOM 921 CG2 ILE A 62 3.544 3.650 0.165 1.00 0.00 C ATOM 922 CD1 ILE A 62 1.098 5.325 -0.036 1.00 0.00 C ATOM 0 H ILE A 62 3.765 6.609 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 62 5.236 4.257 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 62 2.437 3.655 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.022 6.288 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.125 6.147 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.667 3.453 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.051 2.711 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.223 4.312 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.579 6.258 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.447 4.680 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.358 4.823 0.896 1.00 0.00 H new ATOM 934 N GLU A 63 3.298 4.242 -4.172 1.00 0.00 N ATOM 935 CA GLU A 63 3.093 3.598 -5.469 1.00 0.00 C ATOM 936 C GLU A 63 4.429 3.329 -6.155 1.00 0.00 C ATOM 937 O GLU A 63 4.739 2.191 -6.510 1.00 0.00 O ATOM 938 CB GLU A 63 2.224 4.489 -6.366 1.00 0.00 C ATOM 939 CG GLU A 63 0.896 3.783 -6.670 1.00 0.00 C ATOM 940 CD GLU A 63 0.156 3.446 -5.374 1.00 0.00 C ATOM 941 OE1 GLU A 63 0.390 4.118 -4.382 1.00 0.00 O ATOM 942 OE2 GLU A 63 -0.636 2.518 -5.394 1.00 0.00 O ATOM 0 H GLU A 63 2.667 5.021 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 63 2.587 2.647 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.035 5.443 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.750 4.709 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.273 4.422 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.084 2.870 -7.235 1.00 0.00 H new ATOM 949 N ARG A 64 5.215 4.388 -6.335 1.00 0.00 N ATOM 950 CA ARG A 64 6.520 4.268 -6.977 1.00 0.00 C ATOM 951 C ARG A 64 7.376 3.224 -6.265 1.00 0.00 C ATOM 952 O ARG A 64 7.969 2.356 -6.905 1.00 0.00 O ATOM 953 CB ARG A 64 7.235 5.624 -6.963 1.00 0.00 C ATOM 954 CG ARG A 64 6.588 6.559 -7.993 1.00 0.00 C ATOM 955 CD ARG A 64 7.211 6.320 -9.371 1.00 0.00 C ATOM 956 NE ARG A 64 6.514 7.105 -10.385 1.00 0.00 N ATOM 957 CZ ARG A 64 7.045 8.220 -10.880 1.00 0.00 C ATOM 958 NH1 ARG A 64 7.910 8.155 -11.855 1.00 0.00 N ATOM 959 NH2 ARG A 64 6.702 9.379 -10.390 1.00 0.00 N ATOM 0 H ARG A 64 4.971 5.335 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 64 6.370 3.949 -8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.177 6.067 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.292 5.491 -7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.513 6.383 -8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.729 7.598 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.266 6.592 -9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.159 5.261 -9.622 1.00 0.00 H new ATOM 0 HE ARG A 64 5.603 6.793 -10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.179 7.249 -12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.317 9.010 -12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.027 9.431 -9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.109 10.234 -10.769 1.00 0.00 H new ATOM 973 N ALA A 65 7.430 3.313 -4.937 1.00 0.00 N ATOM 974 CA ALA A 65 8.212 2.368 -4.144 1.00 0.00 C ATOM 975 C ALA A 65 7.750 0.937 -4.407 1.00 0.00 C ATOM 976 O ALA A 65 8.567 0.041 -4.614 1.00 0.00 O ATOM 977 CB ALA A 65 8.071 2.688 -2.653 1.00 0.00 C ATOM 0 H ALA A 65 6.945 4.025 -4.391 1.00 0.00 H new ATOM 0 HA ALA A 65 9.259 2.460 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.658 1.977 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.432 3.699 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.023 2.616 -2.363 1.00 0.00 H new ATOM 983 N LEU A 66 6.434 0.736 -4.401 1.00 0.00 N ATOM 984 CA LEU A 66 5.868 -0.587 -4.644 1.00 0.00 C ATOM 985 C LEU A 66 6.324 -1.119 -5.999 1.00 0.00 C ATOM 986 O LEU A 66 6.902 -2.201 -6.088 1.00 0.00 O ATOM 987 CB LEU A 66 4.336 -0.517 -4.603 1.00 0.00 C ATOM 988 CG LEU A 66 3.837 -0.896 -3.204 1.00 0.00 C ATOM 989 CD1 LEU A 66 4.173 0.223 -2.213 1.00 0.00 C ATOM 990 CD2 LEU A 66 2.319 -1.102 -3.241 1.00 0.00 C ATOM 0 H LEU A 66 5.744 1.468 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 66 6.218 -1.264 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.002 0.489 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.912 -1.192 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 66 4.324 -1.818 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.816 -0.051 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.253 0.370 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.689 1.147 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.964 -1.372 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.834 -0.180 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.077 -1.901 -3.941 1.00 0.00 H new ATOM 1002 N HIS A 67 6.059 -0.348 -7.050 1.00 0.00 N ATOM 1003 CA HIS A 67 6.444 -0.741 -8.404 1.00 0.00 C ATOM 1004 C HIS A 67 7.939 -1.050 -8.476 1.00 0.00 C ATOM 1005 O HIS A 67 8.350 -2.032 -9.095 1.00 0.00 O ATOM 1006 CB HIS A 67 6.109 0.386 -9.386 1.00 0.00 C ATOM 1007 CG HIS A 67 4.615 0.558 -9.480 1.00 0.00 C ATOM 1008 ND1 HIS A 67 3.997 0.977 -10.647 1.00 0.00 N ATOM 1009 CD2 HIS A 67 3.605 0.376 -8.566 1.00 0.00 C ATOM 1010 CE1 HIS A 67 2.674 1.034 -10.408 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.381 0.678 -9.156 1.00 0.00 N ATOM 0 H HIS A 67 5.580 0.551 -6.991 1.00 0.00 H new ATOM 0 HA HIS A 67 5.888 -1.640 -8.671 1.00 0.00 H new ATOM 0 HB2 HIS A 67 6.571 1.317 -9.056 1.00 0.00 H new ATOM 0 HB3 HIS A 67 6.520 0.157 -10.369 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.461 1.201 -11.527 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.740 0.049 -7.546 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.939 1.332 -11.141 1.00 0.00 H new ATOM 1019 N GLU A 68 8.746 -0.203 -7.841 1.00 0.00 N ATOM 1020 CA GLU A 68 10.194 -0.389 -7.840 1.00 0.00 C ATOM 1021 C GLU A 68 10.578 -1.657 -7.082 1.00 0.00 C ATOM 1022 O GLU A 68 11.405 -2.443 -7.547 1.00 0.00 O ATOM 1023 CB GLU A 68 10.877 0.820 -7.192 1.00 0.00 C ATOM 1024 CG GLU A 68 12.299 0.964 -7.741 1.00 0.00 C ATOM 1025 CD GLU A 68 12.275 1.740 -9.055 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.161 2.954 -9.001 1.00 0.00 O ATOM 1027 OE2 GLU A 68 12.368 1.110 -10.095 1.00 0.00 O ATOM 0 H GLU A 68 8.424 0.615 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 68 10.525 -0.485 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.305 1.725 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.905 0.697 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.927 1.481 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.738 -0.021 -7.899 1.00 0.00 H new ATOM 1034 N GLU A 69 9.978 -1.841 -5.909 1.00 0.00 N ATOM 1035 CA GLU A 69 10.265 -3.009 -5.081 1.00 0.00 C ATOM 1036 C GLU A 69 9.468 -4.225 -5.549 1.00 0.00 C ATOM 1037 O GLU A 69 9.613 -5.319 -5.003 1.00 0.00 O ATOM 1038 CB GLU A 69 9.929 -2.702 -3.619 1.00 0.00 C ATOM 1039 CG GLU A 69 10.950 -1.708 -3.056 1.00 0.00 C ATOM 1040 CD GLU A 69 10.608 -1.367 -1.608 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.626 -0.673 -1.399 1.00 0.00 O ATOM 1042 OE2 GLU A 69 11.334 -1.803 -0.729 1.00 0.00 O ATOM 0 H GLU A 69 9.292 -1.199 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 69 11.326 -3.240 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.924 -2.287 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.939 -3.621 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.952 -2.134 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.956 -0.800 -3.660 1.00 0.00 H new ATOM 1049 N VAL A 70 8.635 -4.026 -6.569 1.00 0.00 N ATOM 1050 CA VAL A 70 7.817 -5.105 -7.119 1.00 0.00 C ATOM 1051 C VAL A 70 7.523 -4.822 -8.591 1.00 0.00 C ATOM 1052 O VAL A 70 6.390 -4.513 -8.963 1.00 0.00 O ATOM 1053 CB VAL A 70 6.492 -5.234 -6.347 1.00 0.00 C ATOM 1054 CG1 VAL A 70 5.771 -6.517 -6.776 1.00 0.00 C ATOM 1055 CG2 VAL A 70 6.763 -5.293 -4.839 1.00 0.00 C ATOM 0 H VAL A 70 8.509 -3.126 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 70 8.367 -6.041 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 70 5.870 -4.367 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.833 -6.607 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.565 -6.478 -7.846 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.402 -7.379 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.818 -5.384 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.392 -6.155 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.272 -4.382 -4.525 1.00 0.00 H new ATOM 1065 N PRO A 71 8.525 -4.918 -9.427 1.00 0.00 N ATOM 1066 CA PRO A 71 8.386 -4.667 -10.888 1.00 0.00 C ATOM 1067 C PRO A 71 7.662 -5.809 -11.598 1.00 0.00 C ATOM 1068 O PRO A 71 8.060 -6.971 -11.494 1.00 0.00 O ATOM 1069 CB PRO A 71 9.832 -4.520 -11.393 1.00 0.00 C ATOM 1070 CG PRO A 71 10.730 -4.678 -10.201 1.00 0.00 C ATOM 1071 CD PRO A 71 9.898 -5.279 -9.073 1.00 0.00 C ATOM 0 HA PRO A 71 7.783 -3.782 -11.091 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.056 -5.274 -12.147 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.980 -3.547 -11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.574 -5.325 -10.441 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.142 -3.714 -9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.025 -6.360 -9.013 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.183 -4.870 -8.103 1.00 0.00 H new ATOM 1079 N GLY A 72 6.595 -5.464 -12.313 1.00 0.00 N ATOM 1080 CA GLY A 72 5.805 -6.454 -13.037 1.00 0.00 C ATOM 1081 C GLY A 72 4.330 -6.064 -13.039 1.00 0.00 C ATOM 1082 O GLY A 72 3.530 -6.623 -13.790 1.00 0.00 O ATOM 0 H GLY A 72 6.258 -4.506 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.166 -6.537 -14.062 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.927 -7.434 -12.575 1.00 0.00 H new ATOM 1086 N VAL A 73 3.984 -5.101 -12.187 1.00 0.00 N ATOM 1087 CA VAL A 73 2.609 -4.627 -12.080 1.00 0.00 C ATOM 1088 C VAL A 73 2.161 -3.951 -13.366 1.00 0.00 C ATOM 1089 O VAL A 73 2.975 -3.628 -14.232 1.00 0.00 O ATOM 1090 CB VAL A 73 2.490 -3.644 -10.911 1.00 0.00 C ATOM 1091 CG1 VAL A 73 3.026 -4.292 -9.632 1.00 0.00 C ATOM 1092 CG2 VAL A 73 3.300 -2.376 -11.215 1.00 0.00 C ATOM 0 H VAL A 73 4.639 -4.634 -11.560 1.00 0.00 H new ATOM 0 HA VAL A 73 1.964 -5.488 -11.903 1.00 0.00 H new ATOM 0 HB VAL A 73 1.441 -3.382 -10.773 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.939 -3.589 -8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.448 -5.189 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.073 -4.561 -9.771 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.213 -1.680 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.348 -2.639 -11.359 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.916 -1.907 -12.121 1.00 0.00 H new ATOM 1102 N ILE A 74 0.853 -3.751 -13.480 1.00 0.00 N ATOM 1103 CA ILE A 74 0.279 -3.123 -14.660 1.00 0.00 C ATOM 1104 C ILE A 74 -0.588 -1.931 -14.265 1.00 0.00 C ATOM 1105 O ILE A 74 -0.648 -0.932 -14.983 1.00 0.00 O ATOM 1106 CB ILE A 74 -0.560 -4.142 -15.438 1.00 0.00 C ATOM 1107 CG1 ILE A 74 -0.063 -5.566 -15.139 1.00 0.00 C ATOM 1108 CG2 ILE A 74 -0.425 -3.862 -16.934 1.00 0.00 C ATOM 1109 CD1 ILE A 74 -0.880 -6.581 -15.943 1.00 0.00 C ATOM 0 H ILE A 74 0.171 -4.015 -12.769 1.00 0.00 H new ATOM 0 HA ILE A 74 1.092 -2.767 -15.293 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.604 -4.057 -15.137 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.993 -5.653 -15.393 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.153 -5.776 -14.073 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.020 -4.584 -17.494 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.780 -2.854 -17.149 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.621 -3.948 -17.227 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.523 -7.588 -15.727 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.932 -6.502 -15.667 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.768 -6.377 -17.008 1.00 0.00 H new ATOM 1121 N GLU A 75 -1.257 -2.044 -13.120 1.00 0.00 N ATOM 1122 CA GLU A 75 -2.120 -0.970 -12.634 1.00 0.00 C ATOM 1123 C GLU A 75 -2.431 -1.176 -11.154 1.00 0.00 C ATOM 1124 O GLU A 75 -2.357 -2.293 -10.648 1.00 0.00 O ATOM 1125 CB GLU A 75 -3.423 -0.945 -13.440 1.00 0.00 C ATOM 1126 CG GLU A 75 -3.939 0.492 -13.546 1.00 0.00 C ATOM 1127 CD GLU A 75 -5.291 0.507 -14.253 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -6.275 0.168 -13.616 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -5.323 0.857 -15.422 1.00 0.00 O ATOM 0 H GLU A 75 -1.219 -2.864 -12.514 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.603 -0.018 -12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.253 -1.355 -14.436 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.171 -1.575 -12.959 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.034 0.928 -12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.224 1.105 -14.096 1.00 0.00 H new ATOM 1136 N VAL A 76 -2.773 -0.093 -10.462 1.00 0.00 N ATOM 1137 CA VAL A 76 -3.083 -0.180 -9.038 1.00 0.00 C ATOM 1138 C VAL A 76 -4.053 0.926 -8.628 1.00 0.00 C ATOM 1139 O VAL A 76 -3.795 2.109 -8.853 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.792 -0.086 -8.212 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -0.987 1.150 -8.630 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -2.139 0.011 -6.723 1.00 0.00 C ATOM 0 H VAL A 76 -2.842 0.845 -10.858 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.559 -1.142 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.193 -0.979 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.074 1.207 -8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.730 1.077 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.584 2.047 -8.463 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.221 0.078 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.746 0.899 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.698 -0.875 -6.421 1.00 0.00 H new ATOM 1152 N GLU A 77 -5.172 0.527 -8.028 1.00 0.00 N ATOM 1153 CA GLU A 77 -6.181 1.486 -7.590 1.00 0.00 C ATOM 1154 C GLU A 77 -6.051 1.757 -6.097 1.00 0.00 C ATOM 1155 O GLU A 77 -6.539 0.986 -5.268 1.00 0.00 O ATOM 1156 CB GLU A 77 -7.584 0.950 -7.897 1.00 0.00 C ATOM 1157 CG GLU A 77 -7.776 0.839 -9.415 1.00 0.00 C ATOM 1158 CD GLU A 77 -6.990 -0.351 -9.966 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -7.303 -1.469 -9.592 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -6.087 -0.126 -10.757 1.00 0.00 O ATOM 0 H GLU A 77 -5.402 -0.448 -7.835 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.025 2.420 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.721 -0.026 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.338 1.614 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.835 0.722 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.443 1.758 -9.898 1.00 0.00 H new ATOM 1167 N GLN A 78 -5.399 2.867 -5.763 1.00 0.00 N ATOM 1168 CA GLN A 78 -5.218 3.247 -4.370 1.00 0.00 C ATOM 1169 C GLN A 78 -6.175 4.376 -4.015 1.00 0.00 C ATOM 1170 O GLN A 78 -5.881 5.550 -4.244 1.00 0.00 O ATOM 1171 CB GLN A 78 -3.775 3.697 -4.121 1.00 0.00 C ATOM 1172 CG GLN A 78 -3.529 3.817 -2.612 1.00 0.00 C ATOM 1173 CD GLN A 78 -2.615 5.002 -2.316 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -1.469 5.031 -2.762 1.00 0.00 O ATOM 1175 NE2 GLN A 78 -3.055 5.984 -1.579 1.00 0.00 N ATOM 0 H GLN A 78 -4.990 3.515 -6.436 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.429 2.381 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.079 2.981 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.593 4.655 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.478 3.942 -2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.078 2.899 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.006 5.958 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.449 6.778 -1.372 1.00 0.00 H new ATOM 1184 N VAL A 79 -7.323 4.010 -3.461 1.00 0.00 N ATOM 1185 CA VAL A 79 -8.325 5.000 -3.081 1.00 0.00 C ATOM 1186 C VAL A 79 -8.061 5.506 -1.666 1.00 0.00 C ATOM 1187 O VAL A 79 -8.032 4.730 -0.713 1.00 0.00 O ATOM 1188 CB VAL A 79 -9.731 4.390 -3.168 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -9.956 3.821 -4.572 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -9.883 3.267 -2.134 1.00 0.00 C ATOM 0 H VAL A 79 -7.584 3.043 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.262 5.841 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.468 5.167 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.954 3.388 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.861 4.620 -5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.213 3.050 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.884 2.841 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.144 2.490 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -9.730 3.671 -1.133 1.00 0.00 H new ATOM 1200 N PHE A 80 -7.866 6.815 -1.537 1.00 0.00 N ATOM 1201 CA PHE A 80 -7.605 7.414 -0.231 1.00 0.00 C ATOM 1202 C PHE A 80 -8.903 7.928 0.383 1.00 0.00 C ATOM 1203 O PHE A 80 -9.751 8.488 -0.314 1.00 0.00 O ATOM 1204 CB PHE A 80 -6.597 8.564 -0.358 1.00 0.00 C ATOM 1205 CG PHE A 80 -6.867 9.352 -1.620 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -7.882 10.315 -1.641 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -6.101 9.118 -2.769 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -8.132 11.044 -2.808 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -6.350 9.847 -3.936 1.00 0.00 C ATOM 1210 CZ PHE A 80 -7.366 10.810 -3.956 1.00 0.00 C ATOM 0 H PHE A 80 -7.883 7.477 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.183 6.648 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.668 9.218 0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.582 8.168 -0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.473 10.495 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.318 8.374 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.916 11.787 -2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.759 9.667 -4.822 1.00 0.00 H new ATOM 0 HZ PHE A 80 -7.559 11.373 -4.858 1.00 0.00 H new ATOM 1220 N LEU A 81 -9.055 7.730 1.690 1.00 0.00 N ATOM 1221 CA LEU A 81 -10.259 8.176 2.382 1.00 0.00 C ATOM 1222 C LEU A 81 -10.036 9.542 3.027 1.00 0.00 C ATOM 1223 O LEU A 81 -10.425 9.771 4.174 1.00 0.00 O ATOM 1224 CB LEU A 81 -10.663 7.156 3.450 1.00 0.00 C ATOM 1225 CG LEU A 81 -12.119 7.401 3.862 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -13.044 6.476 3.066 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -12.279 7.123 5.359 1.00 0.00 C ATOM 0 H LEU A 81 -8.367 7.269 2.285 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.062 8.264 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.548 6.143 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.008 7.242 4.317 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.384 8.438 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.078 6.653 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.932 6.678 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.782 5.438 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.314 7.297 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.012 6.087 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.625 7.787 5.924 1.00 0.00 H new ATOM 1239 N GLU A 82 -9.418 10.449 2.273 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.151 11.801 2.763 1.00 0.00 C ATOM 1241 C GLU A 82 -8.189 11.782 3.950 1.00 0.00 C ATOM 1242 O GLU A 82 -8.091 10.791 4.674 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.461 12.485 3.173 1.00 0.00 C ATOM 1244 CG GLU A 82 -11.512 12.313 2.067 1.00 0.00 C ATOM 1245 CD GLU A 82 -12.440 11.142 2.390 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -13.019 11.145 3.465 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -12.561 10.261 1.554 1.00 0.00 O ATOM 0 H GLU A 82 -9.093 10.273 1.322 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.686 12.362 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.829 12.056 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.285 13.545 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.094 13.229 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.018 12.141 1.111 1.00 0.00 H new ATOM 1254 N HIS A 83 -7.487 12.897 4.135 1.00 0.00 N ATOM 1255 CA HIS A 83 -6.529 13.036 5.228 1.00 0.00 C ATOM 1256 C HIS A 83 -5.909 14.431 5.191 1.00 0.00 C ATOM 1257 O HIS A 83 -4.773 14.608 4.746 1.00 0.00 O ATOM 1258 CB HIS A 83 -5.427 11.970 5.118 1.00 0.00 C ATOM 1259 CG HIS A 83 -4.368 12.219 6.162 1.00 0.00 C ATOM 1260 ND1 HIS A 83 -3.040 11.879 5.962 1.00 0.00 N ATOM 1261 CD2 HIS A 83 -4.427 12.779 7.415 1.00 0.00 C ATOM 1262 CE1 HIS A 83 -2.360 12.235 7.068 1.00 0.00 C ATOM 1263 NE2 HIS A 83 -3.157 12.788 7.984 1.00 0.00 N ATOM 0 H HIS A 83 -7.564 13.721 3.539 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.052 12.896 6.174 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.855 10.976 5.251 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.983 11.995 4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.323 13.155 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.298 12.090 7.198 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.892 13.141 8.904 1.00 0.00 H new ATOM 1271 N HIS A 84 -6.670 15.421 5.654 1.00 0.00 N ATOM 1272 CA HIS A 84 -6.191 16.802 5.665 1.00 0.00 C ATOM 1273 C HIS A 84 -4.920 16.932 6.505 1.00 0.00 C ATOM 1274 O HIS A 84 -4.437 15.952 7.074 1.00 0.00 O ATOM 1275 CB HIS A 84 -7.278 17.741 6.210 1.00 0.00 C ATOM 1276 CG HIS A 84 -7.783 17.247 7.543 1.00 0.00 C ATOM 1277 ND1 HIS A 84 -9.129 17.274 7.875 1.00 0.00 N ATOM 1278 CD2 HIS A 84 -7.139 16.727 8.641 1.00 0.00 C ATOM 1279 CE1 HIS A 84 -9.251 16.785 9.123 1.00 0.00 C ATOM 1280 NE2 HIS A 84 -8.069 16.436 9.636 1.00 0.00 N ATOM 0 H HIS A 84 -7.612 15.295 6.023 1.00 0.00 H new ATOM 0 HA HIS A 84 -5.958 17.086 4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.876 18.749 6.317 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.104 17.801 5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.074 16.568 8.720 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.191 16.687 9.646 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.886 16.041 10.559 1.00 0.00 H new ATOM 1288 N HIS A 85 -4.382 18.148 6.574 1.00 0.00 N ATOM 1289 CA HIS A 85 -3.164 18.397 7.342 1.00 0.00 C ATOM 1290 C HIS A 85 -3.311 19.655 8.195 1.00 0.00 C ATOM 1291 O HIS A 85 -4.122 20.532 7.892 1.00 0.00 O ATOM 1292 CB HIS A 85 -1.972 18.554 6.391 1.00 0.00 C ATOM 1293 CG HIS A 85 -0.694 18.574 7.185 1.00 0.00 C ATOM 1294 ND1 HIS A 85 0.264 19.562 7.021 1.00 0.00 N ATOM 1295 CD2 HIS A 85 -0.205 17.738 8.157 1.00 0.00 C ATOM 1296 CE1 HIS A 85 1.270 19.299 7.875 1.00 0.00 C ATOM 1297 NE2 HIS A 85 1.035 18.197 8.591 1.00 0.00 N ATOM 0 H HIS A 85 -4.767 18.971 6.111 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.993 17.547 8.003 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.954 17.733 5.675 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.070 19.475 5.817 1.00 0.00 H new ATOM 0 HD1 HIS A 85 0.215 20.346 6.371 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.707 16.857 8.529 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.159 19.905 7.970 1.00 0.00 H new ATOM 1305 N HIS A 86 -2.518 19.733 9.265 1.00 0.00 N ATOM 1306 CA HIS A 86 -2.558 20.883 10.165 1.00 0.00 C ATOM 1307 C HIS A 86 -2.392 22.184 9.381 1.00 0.00 C ATOM 1308 O HIS A 86 -3.245 23.070 9.444 1.00 0.00 O ATOM 1309 CB HIS A 86 -1.445 20.761 11.214 1.00 0.00 C ATOM 1310 CG HIS A 86 -1.464 21.955 12.136 1.00 0.00 C ATOM 1311 ND1 HIS A 86 -2.445 22.933 12.067 1.00 0.00 N ATOM 1312 CD2 HIS A 86 -0.626 22.340 13.155 1.00 0.00 C ATOM 1313 CE1 HIS A 86 -2.176 23.847 13.016 1.00 0.00 C ATOM 1314 NE2 HIS A 86 -1.078 23.535 13.707 1.00 0.00 N ATOM 0 H HIS A 86 -1.843 19.015 9.528 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.526 20.900 10.666 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.577 19.845 11.790 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.476 20.689 10.720 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -3.229 22.955 11.415 1.00 0.00 H new ATOM 0 HD2 HIS A 86 0.250 21.798 13.478 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.776 24.727 13.197 1.00 0.00 H new ATOM 1322 N HIS A 87 -1.290 22.288 8.644 1.00 0.00 N ATOM 1323 CA HIS A 87 -1.019 23.482 7.849 1.00 0.00 C ATOM 1324 C HIS A 87 0.080 23.202 6.828 1.00 0.00 C ATOM 1325 O HIS A 87 0.822 22.228 6.954 1.00 0.00 O ATOM 1326 CB HIS A 87 -0.592 24.635 8.764 1.00 0.00 C ATOM 1327 CG HIS A 87 -0.459 25.899 7.958 1.00 0.00 C ATOM 1328 ND1 HIS A 87 0.749 26.563 7.823 1.00 0.00 N ATOM 1329 CD2 HIS A 87 -1.372 26.630 7.237 1.00 0.00 C ATOM 1330 CE1 HIS A 87 0.534 27.642 7.048 1.00 0.00 C ATOM 1331 NE2 HIS A 87 -0.741 27.730 6.663 1.00 0.00 N ATOM 0 H HIS A 87 -0.574 21.565 8.580 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.930 23.761 7.320 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.326 24.774 9.557 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.357 24.398 9.246 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.419 26.388 7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.300 28.351 6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -1.162 28.449 6.075 1.00 0.00 H new ATOM 1339 N HIS A 88 0.176 24.065 5.819 1.00 0.00 N ATOM 1340 CA HIS A 88 1.186 23.909 4.778 1.00 0.00 C ATOM 1341 C HIS A 88 1.005 22.571 4.052 1.00 0.00 C ATOM 1342 O HIS A 88 -0.006 22.419 3.386 1.00 0.00 O ATOM 1343 CB HIS A 88 2.590 24.006 5.396 1.00 0.00 C ATOM 1344 CG HIS A 88 3.618 24.151 4.307 1.00 0.00 C ATOM 1345 ND1 HIS A 88 3.365 24.853 3.139 1.00 0.00 N ATOM 1346 CD2 HIS A 88 4.906 23.688 4.195 1.00 0.00 C ATOM 1347 CE1 HIS A 88 4.474 24.793 2.381 1.00 0.00 C ATOM 1348 NE2 HIS A 88 5.444 24.095 2.978 1.00 0.00 N ATOM 1349 OXT HIS A 88 1.870 21.718 4.174 1.00 0.00 O ATOM 0 H HIS A 88 -0.431 24.876 5.701 1.00 0.00 H new ATOM 0 HA HIS A 88 1.069 24.709 4.047 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.641 24.859 6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.798 23.116 5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 88 5.422 23.098 4.938 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.569 25.253 1.408 1.00 0.00 H new ATOM 0 HE2 HIS A 88 6.379 23.902 2.619 1.00 0.00 H new TER 1357 HIS A 88