USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 519 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 2 ASN : amide:sc= 0.128 K(o=1.6,f=-2.1!) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -177:sc= 1.48 (180deg=1.16) USER MOD Set 2.1: A 23 GLN : amide:sc= 0.153 X(o=-0.29,f=-0.36) USER MOD Set 2.2: A 58 HIS : no HD1:sc= -0.44 X(o=-0.29,f=-0.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.102 (180deg=-0.0532) USER MOD Single : A 6 THR OG1 : rot 140:sc= 0.703 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.23) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0556) USER MOD Single : A 15 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0038) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 34 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.0048) USER MOD Single : A 37 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.94) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 47 GLN : amide:sc= -1.98 K(o=-2,f=-1.1) USER MOD Single : A 54 GLN : amide:sc= -0.831 K(o=-0.83,f=0) USER MOD Single : A 57 HIS : no HE2:sc= 1.06 K(o=1.1,f=-6.1!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 60 HIS : no HD1:sc= -0.699 K(o=-0.7,f=0.043) USER MOD Single : A 61 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 62 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.750 6.102 -6.358 1.00 0.00 N ATOM 2 CA MET A 1 -8.463 7.383 -5.676 1.00 0.00 C ATOM 3 C MET A 1 -6.963 7.600 -5.567 1.00 0.00 C ATOM 4 O MET A 1 -6.177 6.742 -5.961 1.00 0.00 O ATOM 5 CB MET A 1 -9.075 7.403 -4.273 1.00 0.00 C ATOM 6 CG MET A 1 -10.593 7.392 -4.260 1.00 0.00 C ATOM 7 SD MET A 1 -11.268 7.404 -2.588 1.00 0.00 S ATOM 8 CE MET A 1 -13.022 7.481 -2.938 1.00 0.00 C ATOM 0 H1 MET A 1 -9.302 6.284 -7.221 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.856 5.635 -6.611 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.295 5.485 -5.723 1.00 0.00 H new ATOM 0 HA MET A 1 -8.906 8.183 -6.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.711 6.539 -3.717 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.724 8.291 -3.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.964 8.260 -4.805 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.951 6.508 -4.787 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.580 7.495 -2.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.241 8.386 -3.504 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.315 6.608 -3.522 1.00 0.00 H new ATOM 20 N ASN A 2 -6.578 8.759 -5.054 1.00 0.00 N ATOM 21 CA ASN A 2 -5.188 9.040 -4.730 1.00 0.00 C ATOM 22 C ASN A 2 -5.103 9.628 -3.332 1.00 0.00 C ATOM 23 O ASN A 2 -5.313 10.829 -3.138 1.00 0.00 O ATOM 24 CB ASN A 2 -4.553 10.002 -5.739 1.00 0.00 C ATOM 25 CG ASN A 2 -4.115 9.313 -7.015 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.740 8.140 -7.009 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.142 10.042 -8.119 1.00 0.00 N ATOM 0 H ASN A 2 -7.217 9.528 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.634 8.102 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.268 10.788 -5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.691 10.486 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.845 9.635 -9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.459 11.011 -8.083 1.00 0.00 H new ATOM 34 N LEU A 3 -4.835 8.774 -2.360 1.00 0.00 N ATOM 35 CA LEU A 3 -4.736 9.197 -0.971 1.00 0.00 C ATOM 36 C LEU A 3 -3.381 9.839 -0.692 1.00 0.00 C ATOM 37 O LEU A 3 -2.562 10.006 -1.596 1.00 0.00 O ATOM 38 CB LEU A 3 -4.969 8.021 -0.022 1.00 0.00 C ATOM 39 CG LEU A 3 -6.391 7.454 -0.022 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.534 6.375 1.036 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.413 8.560 0.206 1.00 0.00 C ATOM 0 H LEU A 3 -4.681 7.776 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.513 9.941 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.276 7.221 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.722 8.338 0.991 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.580 7.009 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.551 5.984 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.831 5.568 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.322 6.798 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.417 8.135 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.225 9.037 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.330 9.301 -0.589 1.00 0.00 H new ATOM 53 N ARG A 4 -3.169 10.233 0.550 1.00 0.00 N ATOM 54 CA ARG A 4 -1.915 10.844 0.942 1.00 0.00 C ATOM 55 C ARG A 4 -0.874 9.772 1.193 1.00 0.00 C ATOM 56 O ARG A 4 -0.941 9.030 2.172 1.00 0.00 O ATOM 57 CB ARG A 4 -2.104 11.706 2.183 1.00 0.00 C ATOM 58 CG ARG A 4 -3.165 12.766 1.995 1.00 0.00 C ATOM 59 CD ARG A 4 -3.422 13.529 3.278 1.00 0.00 C ATOM 60 NE ARG A 4 -4.605 14.384 3.173 1.00 0.00 N ATOM 61 CZ ARG A 4 -5.578 14.435 4.085 1.00 0.00 C ATOM 62 NH1 ARG A 4 -5.468 13.759 5.224 1.00 0.00 N ATOM 63 NH2 ARG A 4 -6.656 15.173 3.865 1.00 0.00 N ATOM 0 H ARG A 4 -3.850 10.140 1.304 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.570 11.486 0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.376 11.070 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.158 12.184 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.853 13.460 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.090 12.300 1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.554 12.825 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.552 14.140 3.518 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.692 14.980 2.349 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.636 13.197 5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.215 13.802 5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.743 15.703 2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.399 15.211 4.563 1.00 0.00 H new ATOM 77 N TRP A 5 0.074 9.694 0.286 1.00 0.00 N ATOM 78 CA TRP A 5 1.131 8.699 0.358 1.00 0.00 C ATOM 79 C TRP A 5 2.390 9.318 0.928 1.00 0.00 C ATOM 80 O TRP A 5 2.830 10.377 0.475 1.00 0.00 O ATOM 81 CB TRP A 5 1.436 8.120 -1.032 1.00 0.00 C ATOM 82 CG TRP A 5 0.368 7.213 -1.572 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.895 7.557 -1.957 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.487 5.809 -1.807 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.572 6.449 -2.409 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.744 5.364 -2.326 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.516 4.882 -1.622 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.967 4.034 -2.666 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.291 3.562 -1.958 1.00 0.00 C ATOM 90 CH2 TRP A 5 0.058 3.149 -2.477 1.00 0.00 C ATOM 0 H TRP A 5 0.138 10.314 -0.521 1.00 0.00 H new ATOM 0 HA TRP A 5 0.791 7.893 1.008 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.585 8.943 -1.731 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.375 7.568 -0.985 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.304 8.556 -1.913 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.533 6.438 -2.750 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.470 5.193 -1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.917 3.711 -3.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.079 2.836 -1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.086 2.110 -2.733 1.00 0.00 H new ATOM 101 N THR A 6 2.966 8.670 1.925 1.00 0.00 N ATOM 102 CA THR A 6 4.222 9.132 2.475 1.00 0.00 C ATOM 103 C THR A 6 5.348 8.706 1.541 1.00 0.00 C ATOM 104 O THR A 6 5.170 7.785 0.740 1.00 0.00 O ATOM 105 CB THR A 6 4.466 8.570 3.892 1.00 0.00 C ATOM 106 OG1 THR A 6 4.701 7.158 3.845 1.00 0.00 O ATOM 107 CG2 THR A 6 3.274 8.849 4.797 1.00 0.00 C ATOM 0 H THR A 6 2.587 7.831 2.365 1.00 0.00 H new ATOM 0 HA THR A 6 4.189 10.218 2.560 1.00 0.00 H new ATOM 0 HB THR A 6 5.348 9.068 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.415 6.924 4.474 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.468 8.444 5.790 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.116 9.925 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.383 8.378 4.381 1.00 0.00 H new ATOM 115 N SER A 7 6.492 9.370 1.616 1.00 0.00 N ATOM 116 CA SER A 7 7.619 9.014 0.767 1.00 0.00 C ATOM 117 C SER A 7 8.039 7.572 1.034 1.00 0.00 C ATOM 118 O SER A 7 8.420 6.843 0.117 1.00 0.00 O ATOM 119 CB SER A 7 8.791 9.969 1.003 1.00 0.00 C ATOM 120 OG SER A 7 9.819 9.775 0.045 1.00 0.00 O ATOM 0 H SER A 7 6.664 10.151 2.249 1.00 0.00 H new ATOM 0 HA SER A 7 7.314 9.101 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.438 10.999 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.192 9.815 2.005 1.00 0.00 H new ATOM 0 HG SER A 7 10.553 10.400 0.221 1.00 0.00 H new ATOM 126 N GLU A 8 7.942 7.162 2.294 1.00 0.00 N ATOM 127 CA GLU A 8 8.239 5.791 2.684 1.00 0.00 C ATOM 128 C GLU A 8 7.278 4.838 1.984 1.00 0.00 C ATOM 129 O GLU A 8 7.691 3.828 1.417 1.00 0.00 O ATOM 130 CB GLU A 8 8.119 5.599 4.204 1.00 0.00 C ATOM 131 CG GLU A 8 8.690 6.737 5.041 1.00 0.00 C ATOM 132 CD GLU A 8 7.750 7.919 5.115 1.00 0.00 C ATOM 133 OE1 GLU A 8 6.735 7.823 5.829 1.00 0.00 O ATOM 134 OE2 GLU A 8 8.005 8.936 4.438 1.00 0.00 O ATOM 0 H GLU A 8 7.658 7.765 3.066 1.00 0.00 H new ATOM 0 HA GLU A 8 9.266 5.576 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.066 5.473 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.626 4.674 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.897 6.376 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.641 7.057 4.615 1.00 0.00 H new ATOM 141 N ALA A 9 5.998 5.187 2.011 1.00 0.00 N ATOM 142 CA ALA A 9 4.957 4.377 1.388 1.00 0.00 C ATOM 143 C ALA A 9 5.152 4.298 -0.121 1.00 0.00 C ATOM 144 O ALA A 9 5.079 3.218 -0.706 1.00 0.00 O ATOM 145 CB ALA A 9 3.585 4.943 1.710 1.00 0.00 C ATOM 0 H ALA A 9 5.653 6.034 2.462 1.00 0.00 H new ATOM 0 HA ALA A 9 5.028 3.367 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.818 4.328 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.436 4.944 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.515 5.963 1.333 1.00 0.00 H new ATOM 151 N LYS A 10 5.395 5.447 -0.745 1.00 0.00 N ATOM 152 CA LYS A 10 5.655 5.508 -2.181 1.00 0.00 C ATOM 153 C LYS A 10 6.852 4.641 -2.559 1.00 0.00 C ATOM 154 O LYS A 10 6.841 3.973 -3.592 1.00 0.00 O ATOM 155 CB LYS A 10 5.896 6.956 -2.613 1.00 0.00 C ATOM 156 CG LYS A 10 4.681 7.852 -2.430 1.00 0.00 C ATOM 157 CD LYS A 10 4.991 9.305 -2.750 1.00 0.00 C ATOM 158 CE LYS A 10 5.450 9.477 -4.188 1.00 0.00 C ATOM 159 NZ LYS A 10 5.729 10.900 -4.513 1.00 0.00 N ATOM 0 H LYS A 10 5.417 6.353 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 10 4.778 5.122 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.729 7.364 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.193 6.970 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.873 7.503 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.325 7.775 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.104 9.914 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.765 9.669 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.348 8.883 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.684 9.094 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.039 10.976 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.865 11.463 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.478 11.259 -3.887 1.00 0.00 H new ATOM 173 N THR A 11 7.874 4.646 -1.712 1.00 0.00 N ATOM 174 CA THR A 11 9.057 3.829 -1.937 1.00 0.00 C ATOM 175 C THR A 11 8.715 2.341 -1.822 1.00 0.00 C ATOM 176 O THR A 11 9.188 1.519 -2.610 1.00 0.00 O ATOM 177 CB THR A 11 10.174 4.186 -0.936 1.00 0.00 C ATOM 178 OG1 THR A 11 10.445 5.597 -0.985 1.00 0.00 O ATOM 179 CG2 THR A 11 11.447 3.413 -1.243 1.00 0.00 C ATOM 0 H THR A 11 7.906 5.208 -0.862 1.00 0.00 H new ATOM 0 HA THR A 11 9.415 4.034 -2.946 1.00 0.00 H new ATOM 0 HB THR A 11 9.834 3.913 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.707 6.087 -0.565 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.219 3.683 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.248 2.343 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.788 3.658 -2.249 1.00 0.00 H new ATOM 187 N LYS A 12 7.879 2.001 -0.844 1.00 0.00 N ATOM 188 CA LYS A 12 7.431 0.626 -0.658 1.00 0.00 C ATOM 189 C LYS A 12 6.637 0.150 -1.869 1.00 0.00 C ATOM 190 O LYS A 12 6.775 -0.994 -2.301 1.00 0.00 O ATOM 191 CB LYS A 12 6.566 0.506 0.599 1.00 0.00 C ATOM 192 CG LYS A 12 7.315 0.730 1.899 1.00 0.00 C ATOM 193 CD LYS A 12 8.289 -0.397 2.183 1.00 0.00 C ATOM 194 CE LYS A 12 8.972 -0.207 3.528 1.00 0.00 C ATOM 195 NZ LYS A 12 9.902 -1.319 3.844 1.00 0.00 N ATOM 0 H LYS A 12 7.498 2.662 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 12 8.315 -0.001 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.751 1.227 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.114 -0.485 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.856 1.675 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.603 0.812 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.760 -1.350 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.040 -0.440 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.521 0.735 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.217 -0.133 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.029 -1.383 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.508 -2.213 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.822 -1.141 3.392 1.00 0.00 H new ATOM 209 N LEU A 13 5.815 1.044 -2.413 1.00 0.00 N ATOM 210 CA LEU A 13 4.988 0.736 -3.577 1.00 0.00 C ATOM 211 C LEU A 13 5.859 0.413 -4.790 1.00 0.00 C ATOM 212 O LEU A 13 5.533 -0.465 -5.587 1.00 0.00 O ATOM 213 CB LEU A 13 4.066 1.920 -3.896 1.00 0.00 C ATOM 214 CG LEU A 13 3.057 1.685 -5.023 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.107 0.553 -4.661 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.277 2.958 -5.312 1.00 0.00 C ATOM 0 H LEU A 13 5.704 1.995 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 13 4.381 -0.139 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.519 2.186 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.684 2.779 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 13 3.605 1.402 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.397 0.400 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.676 -0.362 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.566 0.809 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.564 2.773 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.741 3.268 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.966 3.747 -5.613 1.00 0.00 H new ATOM 228 N LYS A 14 6.976 1.122 -4.909 1.00 0.00 N ATOM 229 CA LYS A 14 7.912 0.920 -6.012 1.00 0.00 C ATOM 230 C LYS A 14 8.553 -0.464 -5.938 1.00 0.00 C ATOM 231 O LYS A 14 8.945 -1.034 -6.958 1.00 0.00 O ATOM 232 CB LYS A 14 8.997 1.997 -5.985 1.00 0.00 C ATOM 233 CG LYS A 14 8.465 3.402 -6.204 1.00 0.00 C ATOM 234 CD LYS A 14 9.522 4.449 -5.904 1.00 0.00 C ATOM 235 CE LYS A 14 8.981 5.856 -6.095 1.00 0.00 C ATOM 236 NZ LYS A 14 8.688 6.156 -7.521 1.00 0.00 N ATOM 0 H LYS A 14 7.258 1.848 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 14 7.356 0.992 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.512 1.958 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.738 1.774 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.128 3.508 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.596 3.567 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.874 4.329 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.382 4.297 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.072 5.977 -5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.705 6.577 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.435 7.160 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.529 5.952 -8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.895 5.566 -7.844 1.00 0.00 H new ATOM 250 N ASN A 15 8.639 -1.002 -4.727 1.00 0.00 N ATOM 251 CA ASN A 15 9.253 -2.309 -4.504 1.00 0.00 C ATOM 252 C ASN A 15 8.266 -3.435 -4.794 1.00 0.00 C ATOM 253 O ASN A 15 8.630 -4.613 -4.788 1.00 0.00 O ATOM 254 CB ASN A 15 9.790 -2.414 -3.072 1.00 0.00 C ATOM 255 CG ASN A 15 11.144 -1.746 -2.917 1.00 0.00 C ATOM 256 OD1 ASN A 15 12.187 -2.387 -3.067 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.144 -0.454 -2.622 1.00 0.00 N ATOM 0 H ASN A 15 8.290 -0.553 -3.880 1.00 0.00 H new ATOM 0 HA ASN A 15 10.090 -2.411 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.079 -1.955 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.871 -3.464 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.027 0.044 -2.511 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.261 0.043 -2.506 1.00 0.00 H new ATOM 264 N ILE A 16 7.018 -3.068 -5.038 1.00 0.00 N ATOM 265 CA ILE A 16 6.003 -4.026 -5.442 1.00 0.00 C ATOM 266 C ILE A 16 6.076 -4.250 -6.952 1.00 0.00 C ATOM 267 O ILE A 16 6.178 -3.292 -7.722 1.00 0.00 O ATOM 268 CB ILE A 16 4.587 -3.538 -5.050 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.530 -3.276 -3.542 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.527 -4.553 -5.456 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.188 -2.773 -3.055 1.00 0.00 C ATOM 0 H ILE A 16 6.683 -2.108 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 16 6.194 -4.966 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 16 4.379 -2.610 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.774 -4.198 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.297 -2.546 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.542 -4.185 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.559 -4.700 -6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.720 -5.501 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.229 -2.612 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.949 -1.834 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.419 -3.511 -3.282 1.00 0.00 H new ATOM 283 N PRO A 17 6.069 -5.521 -7.394 1.00 0.00 N ATOM 284 CA PRO A 17 6.117 -5.869 -8.818 1.00 0.00 C ATOM 285 C PRO A 17 4.969 -5.242 -9.612 1.00 0.00 C ATOM 286 O PRO A 17 3.863 -5.068 -9.093 1.00 0.00 O ATOM 287 CB PRO A 17 6.002 -7.400 -8.830 1.00 0.00 C ATOM 288 CG PRO A 17 5.498 -7.769 -7.476 1.00 0.00 C ATOM 289 CD PRO A 17 6.027 -6.720 -6.543 1.00 0.00 C ATOM 0 HA PRO A 17 7.027 -5.498 -9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.318 -7.737 -9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.967 -7.865 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.408 -7.795 -7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.845 -8.761 -7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.376 -6.581 -5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.014 -6.979 -6.160 1.00 0.00 H new ATOM 297 N PHE A 18 5.241 -4.930 -10.875 1.00 0.00 N ATOM 298 CA PHE A 18 4.272 -4.275 -11.755 1.00 0.00 C ATOM 299 C PHE A 18 2.965 -5.064 -11.839 1.00 0.00 C ATOM 300 O PHE A 18 1.880 -4.484 -11.935 1.00 0.00 O ATOM 301 CB PHE A 18 4.876 -4.107 -13.156 1.00 0.00 C ATOM 302 CG PHE A 18 3.898 -3.636 -14.199 1.00 0.00 C ATOM 303 CD1 PHE A 18 3.515 -2.305 -14.262 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.371 -4.527 -15.119 1.00 0.00 C ATOM 305 CE1 PHE A 18 2.622 -1.873 -15.227 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.479 -4.102 -16.084 1.00 0.00 C ATOM 307 CZ PHE A 18 2.104 -2.773 -16.138 1.00 0.00 C ATOM 0 H PHE A 18 6.138 -5.123 -11.320 1.00 0.00 H new ATOM 0 HA PHE A 18 4.042 -3.296 -11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.701 -3.396 -13.101 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.298 -5.061 -13.474 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.917 -1.598 -13.551 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.661 -5.567 -15.081 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.331 -0.834 -15.268 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.075 -4.807 -16.795 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.407 -2.438 -16.892 1.00 0.00 H new ATOM 317 N PHE A 19 3.078 -6.384 -11.780 1.00 0.00 N ATOM 318 CA PHE A 19 1.923 -7.268 -11.912 1.00 0.00 C ATOM 319 C PHE A 19 0.928 -7.070 -10.772 1.00 0.00 C ATOM 320 O PHE A 19 -0.240 -7.445 -10.886 1.00 0.00 O ATOM 321 CB PHE A 19 2.376 -8.728 -11.956 1.00 0.00 C ATOM 322 CG PHE A 19 3.240 -9.053 -13.142 1.00 0.00 C ATOM 323 CD1 PHE A 19 4.615 -8.895 -13.078 1.00 0.00 C ATOM 324 CD2 PHE A 19 2.676 -9.518 -14.319 1.00 0.00 C ATOM 325 CE1 PHE A 19 5.412 -9.190 -14.168 1.00 0.00 C ATOM 326 CE2 PHE A 19 3.468 -9.817 -15.412 1.00 0.00 C ATOM 327 CZ PHE A 19 4.835 -9.653 -15.335 1.00 0.00 C ATOM 0 H PHE A 19 3.963 -6.871 -11.641 1.00 0.00 H new ATOM 0 HA PHE A 19 1.421 -7.014 -12.846 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.925 -8.957 -11.043 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.497 -9.372 -11.970 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.069 -8.537 -12.166 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.606 -9.648 -14.383 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.482 -9.059 -14.108 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.017 -10.178 -16.324 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.455 -9.887 -16.188 1.00 0.00 H new ATOM 337 N ALA A 20 1.386 -6.485 -9.674 1.00 0.00 N ATOM 338 CA ALA A 20 0.532 -6.251 -8.520 1.00 0.00 C ATOM 339 C ALA A 20 0.527 -4.776 -8.130 1.00 0.00 C ATOM 340 O ALA A 20 -0.023 -4.404 -7.101 1.00 0.00 O ATOM 341 CB ALA A 20 0.982 -7.109 -7.346 1.00 0.00 C ATOM 0 H ALA A 20 2.347 -6.163 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.486 -6.531 -8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.334 -6.923 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.925 -8.162 -7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.010 -6.857 -7.084 1.00 0.00 H new ATOM 347 N ARG A 21 1.125 -3.941 -8.974 1.00 0.00 N ATOM 348 CA ARG A 21 1.268 -2.513 -8.687 1.00 0.00 C ATOM 349 C ARG A 21 -0.081 -1.822 -8.493 1.00 0.00 C ATOM 350 O ARG A 21 -0.263 -1.056 -7.544 1.00 0.00 O ATOM 351 CB ARG A 21 2.043 -1.820 -9.808 1.00 0.00 C ATOM 352 CG ARG A 21 3.479 -1.473 -9.445 1.00 0.00 C ATOM 353 CD ARG A 21 3.547 -0.524 -8.254 1.00 0.00 C ATOM 354 NE ARG A 21 2.479 0.479 -8.276 1.00 0.00 N ATOM 355 CZ ARG A 21 2.551 1.645 -8.925 1.00 0.00 C ATOM 356 NH1 ARG A 21 3.626 1.960 -9.637 1.00 0.00 N ATOM 357 NH2 ARG A 21 1.533 2.494 -8.865 1.00 0.00 N ATOM 0 H ARG A 21 1.522 -4.229 -9.869 1.00 0.00 H new ATOM 0 HA ARG A 21 1.821 -2.431 -7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.047 -2.466 -10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.519 -0.906 -10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.027 -2.387 -9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.971 -1.015 -10.303 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.482 -1.099 -7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.514 -0.021 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 21 1.623 0.273 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.409 1.309 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.669 2.853 -10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.701 2.255 -8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.583 3.385 -9.358 1.00 0.00 H new ATOM 371 N SER A 22 -1.019 -2.082 -9.394 1.00 0.00 N ATOM 372 CA SER A 22 -2.334 -1.462 -9.315 1.00 0.00 C ATOM 373 C SER A 22 -3.177 -2.155 -8.247 1.00 0.00 C ATOM 374 O SER A 22 -3.872 -1.501 -7.468 1.00 0.00 O ATOM 375 CB SER A 22 -3.034 -1.524 -10.680 1.00 0.00 C ATOM 376 OG SER A 22 -4.298 -0.879 -10.648 1.00 0.00 O ATOM 0 H SER A 22 -0.895 -2.715 -10.184 1.00 0.00 H new ATOM 0 HA SER A 22 -2.215 -0.415 -9.037 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.404 -1.054 -11.435 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.163 -2.565 -10.976 1.00 0.00 H new ATOM 0 HG SER A 22 -4.716 -0.935 -11.532 1.00 0.00 H new ATOM 382 N GLN A 23 -3.079 -3.479 -8.205 1.00 0.00 N ATOM 383 CA GLN A 23 -3.823 -4.284 -7.242 1.00 0.00 C ATOM 384 C GLN A 23 -3.462 -3.894 -5.812 1.00 0.00 C ATOM 385 O GLN A 23 -4.338 -3.730 -4.959 1.00 0.00 O ATOM 386 CB GLN A 23 -3.524 -5.767 -7.472 1.00 0.00 C ATOM 387 CG GLN A 23 -4.205 -6.698 -6.480 1.00 0.00 C ATOM 388 CD GLN A 23 -3.845 -8.151 -6.710 1.00 0.00 C ATOM 389 OE1 GLN A 23 -4.527 -8.867 -7.441 1.00 0.00 O ATOM 390 NE2 GLN A 23 -2.767 -8.599 -6.085 1.00 0.00 N ATOM 0 H GLN A 23 -2.486 -4.022 -8.833 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.888 -4.101 -7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.836 -6.037 -8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.446 -5.922 -7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.923 -6.413 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.286 -6.578 -6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.227 -7.973 -5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.476 -9.570 -6.202 1.00 0.00 H new ATOM 399 N ALA A 24 -2.170 -3.738 -5.558 1.00 0.00 N ATOM 400 CA ALA A 24 -1.691 -3.383 -4.234 1.00 0.00 C ATOM 401 C ALA A 24 -2.108 -1.973 -3.862 1.00 0.00 C ATOM 402 O ALA A 24 -2.596 -1.749 -2.765 1.00 0.00 O ATOM 403 CB ALA A 24 -0.182 -3.531 -4.139 1.00 0.00 C ATOM 0 H ALA A 24 -1.435 -3.853 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.147 -4.073 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.148 -3.258 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.096 -4.565 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.294 -2.876 -4.868 1.00 0.00 H new ATOM 409 N LYS A 25 -1.937 -1.027 -4.783 1.00 0.00 N ATOM 410 CA LYS A 25 -2.307 0.359 -4.521 1.00 0.00 C ATOM 411 C LYS A 25 -3.772 0.453 -4.110 1.00 0.00 C ATOM 412 O LYS A 25 -4.108 1.105 -3.119 1.00 0.00 O ATOM 413 CB LYS A 25 -2.048 1.226 -5.752 1.00 0.00 C ATOM 414 CG LYS A 25 -2.446 2.677 -5.552 1.00 0.00 C ATOM 415 CD LYS A 25 -2.072 3.536 -6.746 1.00 0.00 C ATOM 416 CE LYS A 25 -2.502 4.984 -6.551 1.00 0.00 C ATOM 417 NZ LYS A 25 -3.984 5.130 -6.502 1.00 0.00 N ATOM 0 H LYS A 25 -1.547 -1.194 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.691 0.727 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.989 1.178 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.599 0.818 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.521 2.739 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.960 3.067 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.994 3.494 -6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.540 3.135 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.070 5.368 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.106 5.592 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.231 6.137 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.400 4.742 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.357 4.613 -5.680 1.00 0.00 H new ATOM 431 N ALA A 26 -4.631 -0.225 -4.858 1.00 0.00 N ATOM 432 CA ALA A 26 -6.055 -0.266 -4.549 1.00 0.00 C ATOM 433 C ALA A 26 -6.288 -0.835 -3.154 1.00 0.00 C ATOM 434 O ALA A 26 -7.107 -0.327 -2.388 1.00 0.00 O ATOM 435 CB ALA A 26 -6.788 -1.104 -5.582 1.00 0.00 C ATOM 0 H ALA A 26 -4.366 -0.757 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.443 0.752 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.851 -1.129 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.649 -0.667 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.391 -2.119 -5.575 1.00 0.00 H new ATOM 441 N ARG A 27 -5.552 -1.891 -2.835 1.00 0.00 N ATOM 442 CA ARG A 27 -5.650 -2.545 -1.538 1.00 0.00 C ATOM 443 C ARG A 27 -5.194 -1.605 -0.423 1.00 0.00 C ATOM 444 O ARG A 27 -5.914 -1.391 0.547 1.00 0.00 O ATOM 445 CB ARG A 27 -4.791 -3.812 -1.540 1.00 0.00 C ATOM 446 CG ARG A 27 -4.934 -4.678 -0.299 1.00 0.00 C ATOM 447 CD ARG A 27 -6.339 -5.244 -0.165 1.00 0.00 C ATOM 448 NE ARG A 27 -6.362 -6.432 0.683 1.00 0.00 N ATOM 449 CZ ARG A 27 -7.456 -7.143 0.944 1.00 0.00 C ATOM 450 NH1 ARG A 27 -8.645 -6.741 0.512 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.360 -8.258 1.652 1.00 0.00 N ATOM 0 H ARG A 27 -4.873 -2.317 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.691 -2.811 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.050 -4.409 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.745 -3.525 -1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.215 -5.496 -0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.694 -4.088 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.999 -4.485 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.727 -5.494 -1.153 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.483 -6.736 1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.727 -5.879 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.476 -7.295 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.451 -8.568 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.195 -8.807 1.855 1.00 0.00 H new ATOM 465 N ILE A 28 -4.007 -1.033 -0.592 1.00 0.00 N ATOM 466 CA ILE A 28 -3.392 -0.165 0.411 1.00 0.00 C ATOM 467 C ILE A 28 -4.302 1.005 0.776 1.00 0.00 C ATOM 468 O ILE A 28 -4.571 1.249 1.953 1.00 0.00 O ATOM 469 CB ILE A 28 -2.047 0.396 -0.095 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.085 -0.744 -0.426 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.432 1.329 0.939 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.079 -0.318 -1.290 1.00 0.00 C ATOM 0 H ILE A 28 -3.440 -1.157 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.226 -0.778 1.297 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.233 0.968 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.702 -1.167 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.634 -1.536 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.484 1.714 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.111 2.160 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.260 0.782 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.721 -1.177 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.295 0.078 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.652 0.453 -0.774 1.00 0.00 H new ATOM 484 N GLU A 29 -4.774 1.721 -0.236 1.00 0.00 N ATOM 485 CA GLU A 29 -5.590 2.903 -0.009 1.00 0.00 C ATOM 486 C GLU A 29 -6.921 2.529 0.648 1.00 0.00 C ATOM 487 O GLU A 29 -7.457 3.285 1.459 1.00 0.00 O ATOM 488 CB GLU A 29 -5.802 3.663 -1.323 1.00 0.00 C ATOM 489 CG GLU A 29 -4.492 4.121 -1.950 1.00 0.00 C ATOM 490 CD GLU A 29 -4.674 4.964 -3.198 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.133 4.420 -4.226 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.336 6.169 -3.162 1.00 0.00 O ATOM 0 H GLU A 29 -4.606 1.504 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.064 3.564 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.334 3.023 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.436 4.530 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.928 4.695 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.893 3.245 -2.198 1.00 0.00 H new ATOM 499 N GLN A 30 -7.438 1.346 0.332 1.00 0.00 N ATOM 500 CA GLN A 30 -8.643 0.863 0.994 1.00 0.00 C ATOM 501 C GLN A 30 -8.340 0.454 2.433 1.00 0.00 C ATOM 502 O GLN A 30 -9.159 0.655 3.328 1.00 0.00 O ATOM 503 CB GLN A 30 -9.269 -0.298 0.224 1.00 0.00 C ATOM 504 CG GLN A 30 -9.893 0.126 -1.092 1.00 0.00 C ATOM 505 CD GLN A 30 -10.503 -1.037 -1.848 1.00 0.00 C ATOM 506 OE1 GLN A 30 -11.680 -1.348 -1.685 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.707 -1.685 -2.683 1.00 0.00 N ATOM 0 H GLN A 30 -7.049 0.713 -0.367 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.365 1.680 1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.505 -1.051 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.031 -0.769 0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.662 0.874 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.134 0.601 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.735 -1.395 -2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.065 -2.475 -3.220 1.00 0.00 H new ATOM 516 N LEU A 31 -7.151 -0.102 2.654 1.00 0.00 N ATOM 517 CA LEU A 31 -6.706 -0.449 4.001 1.00 0.00 C ATOM 518 C LEU A 31 -6.616 0.803 4.869 1.00 0.00 C ATOM 519 O LEU A 31 -6.831 0.752 6.081 1.00 0.00 O ATOM 520 CB LEU A 31 -5.342 -1.149 3.966 1.00 0.00 C ATOM 521 CG LEU A 31 -5.312 -2.503 3.252 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.891 -3.039 3.191 1.00 0.00 C ATOM 523 CD2 LEU A 31 -6.222 -3.503 3.950 1.00 0.00 C ATOM 0 H LEU A 31 -6.479 -0.322 1.918 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.438 -1.133 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.626 -0.486 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.000 -1.291 4.991 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.677 -2.359 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.887 -4.002 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.260 -2.337 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.505 -3.163 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.184 -4.457 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.889 -3.641 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.245 -3.127 3.947 1.00 0.00 H new ATOM 535 N ALA A 32 -6.291 1.928 4.238 1.00 0.00 N ATOM 536 CA ALA A 32 -6.243 3.208 4.930 1.00 0.00 C ATOM 537 C ALA A 32 -7.642 3.648 5.334 1.00 0.00 C ATOM 538 O ALA A 32 -7.850 4.159 6.436 1.00 0.00 O ATOM 539 CB ALA A 32 -5.583 4.262 4.057 1.00 0.00 C ATOM 0 H ALA A 32 -6.057 1.977 3.246 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.646 3.088 5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.556 5.212 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.566 3.951 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.153 4.380 3.135 1.00 0.00 H new ATOM 545 N ARG A 33 -8.606 3.432 4.446 1.00 0.00 N ATOM 546 CA ARG A 33 -9.994 3.762 4.742 1.00 0.00 C ATOM 547 C ARG A 33 -10.505 2.899 5.891 1.00 0.00 C ATOM 548 O ARG A 33 -11.269 3.363 6.734 1.00 0.00 O ATOM 549 CB ARG A 33 -10.880 3.577 3.509 1.00 0.00 C ATOM 550 CG ARG A 33 -10.369 4.300 2.275 1.00 0.00 C ATOM 551 CD ARG A 33 -11.460 4.443 1.228 1.00 0.00 C ATOM 552 NE ARG A 33 -12.402 5.510 1.568 1.00 0.00 N ATOM 553 CZ ARG A 33 -13.664 5.311 1.952 1.00 0.00 C ATOM 554 NH1 ARG A 33 -14.147 4.080 2.065 1.00 0.00 N ATOM 555 NH2 ARG A 33 -14.446 6.352 2.221 1.00 0.00 N ATOM 0 H ARG A 33 -8.453 3.032 3.520 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.038 4.811 5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.962 2.513 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.884 3.933 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.000 5.286 2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.526 3.752 1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.008 4.652 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.998 3.500 1.132 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.071 6.473 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.552 3.278 1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.113 3.936 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.081 7.300 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.411 6.202 2.515 1.00 0.00 H new ATOM 569 N GLN A 34 -10.065 1.645 5.926 1.00 0.00 N ATOM 570 CA GLN A 34 -10.394 0.751 7.035 1.00 0.00 C ATOM 571 C GLN A 34 -9.721 1.235 8.319 1.00 0.00 C ATOM 572 O GLN A 34 -10.193 0.967 9.425 1.00 0.00 O ATOM 573 CB GLN A 34 -9.942 -0.680 6.742 1.00 0.00 C ATOM 574 CG GLN A 34 -10.523 -1.282 5.471 1.00 0.00 C ATOM 575 CD GLN A 34 -10.109 -2.731 5.275 1.00 0.00 C ATOM 576 OE1 GLN A 34 -10.820 -3.516 4.651 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.966 -3.098 5.831 1.00 0.00 N ATOM 0 H GLN A 34 -9.482 1.224 5.203 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.477 0.760 7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.854 -0.696 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.216 -1.313 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.611 -1.219 5.507 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.198 -0.695 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.405 -2.416 6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.646 -4.063 5.750 1.00 0.00 H new ATOM 586 N ALA A 35 -8.610 1.941 8.160 1.00 0.00 N ATOM 587 CA ALA A 35 -7.863 2.475 9.292 1.00 0.00 C ATOM 588 C ALA A 35 -8.324 3.889 9.638 1.00 0.00 C ATOM 589 O ALA A 35 -7.804 4.504 10.570 1.00 0.00 O ATOM 590 CB ALA A 35 -6.372 2.452 8.996 1.00 0.00 C ATOM 0 H ALA A 35 -8.203 2.159 7.250 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.056 1.842 10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.825 2.853 9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.054 1.426 8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.167 3.060 8.115 1.00 0.00 H new ATOM 596 N GLU A 36 -9.281 4.399 8.858 1.00 0.00 N ATOM 597 CA GLU A 36 -9.930 5.687 9.134 1.00 0.00 C ATOM 598 C GLU A 36 -8.988 6.859 8.879 1.00 0.00 C ATOM 599 O GLU A 36 -9.184 7.951 9.417 1.00 0.00 O ATOM 600 CB GLU A 36 -10.442 5.730 10.576 1.00 0.00 C ATOM 601 CG GLU A 36 -11.593 4.779 10.844 1.00 0.00 C ATOM 602 CD GLU A 36 -12.878 5.229 10.187 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.535 6.145 10.724 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.241 4.675 9.131 1.00 0.00 O ATOM 0 H GLU A 36 -9.628 3.934 8.019 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.774 5.781 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.620 5.491 11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.760 6.746 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.331 3.785 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.748 4.695 11.920 1.00 0.00 H new ATOM 611 N GLN A 37 -7.991 6.642 8.037 1.00 0.00 N ATOM 612 CA GLN A 37 -7.008 7.672 7.739 1.00 0.00 C ATOM 613 C GLN A 37 -6.889 7.879 6.234 1.00 0.00 C ATOM 614 O GLN A 37 -7.141 6.963 5.450 1.00 0.00 O ATOM 615 CB GLN A 37 -5.652 7.293 8.345 1.00 0.00 C ATOM 616 CG GLN A 37 -5.144 5.928 7.906 1.00 0.00 C ATOM 617 CD GLN A 37 -3.917 5.481 8.675 1.00 0.00 C ATOM 618 OE1 GLN A 37 -3.734 5.833 9.838 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.062 4.707 8.027 1.00 0.00 N ATOM 0 H GLN A 37 -7.840 5.760 7.547 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.337 8.611 8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.917 8.050 8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.733 7.308 9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.937 5.191 8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.909 5.958 6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.250 4.436 7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.215 4.381 8.493 1.00 0.00 H new ATOM 628 N ASP A 38 -6.515 9.085 5.827 1.00 0.00 N ATOM 629 CA ASP A 38 -6.358 9.390 4.408 1.00 0.00 C ATOM 630 C ASP A 38 -4.893 9.325 4.022 1.00 0.00 C ATOM 631 O ASP A 38 -4.524 9.584 2.878 1.00 0.00 O ATOM 632 CB ASP A 38 -6.925 10.769 4.070 1.00 0.00 C ATOM 633 CG ASP A 38 -8.427 10.840 4.248 1.00 0.00 C ATOM 634 OD1 ASP A 38 -9.143 10.029 3.626 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.900 11.704 5.012 1.00 0.00 O ATOM 0 H ASP A 38 -6.315 9.865 6.454 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.916 8.646 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.452 11.518 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.673 11.019 3.040 1.00 0.00 H new ATOM 640 N ILE A 39 -4.065 8.989 4.994 1.00 0.00 N ATOM 641 CA ILE A 39 -2.640 8.837 4.777 1.00 0.00 C ATOM 642 C ILE A 39 -2.271 7.365 4.845 1.00 0.00 C ATOM 643 O ILE A 39 -2.677 6.661 5.769 1.00 0.00 O ATOM 644 CB ILE A 39 -1.820 9.604 5.837 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.227 11.079 5.866 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.324 9.471 5.563 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.567 11.864 6.974 1.00 0.00 C ATOM 0 H ILE A 39 -4.362 8.814 5.954 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.407 9.247 3.794 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.031 9.166 6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.976 11.536 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.309 11.147 5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.235 10.019 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.041 8.419 5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.097 9.880 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.901 12.901 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.838 11.432 7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.485 11.827 6.851 1.00 0.00 H new ATOM 659 N VAL A 40 -1.519 6.896 3.870 1.00 0.00 N ATOM 660 CA VAL A 40 -1.069 5.522 3.888 1.00 0.00 C ATOM 661 C VAL A 40 0.350 5.454 4.431 1.00 0.00 C ATOM 662 O VAL A 40 1.218 6.243 4.053 1.00 0.00 O ATOM 663 CB VAL A 40 -1.137 4.853 2.496 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.537 4.960 1.913 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.116 5.446 1.545 1.00 0.00 C ATOM 0 H VAL A 40 -1.210 7.440 3.064 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.746 4.968 4.539 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.897 3.798 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.561 4.482 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.246 4.464 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.809 6.010 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.192 4.952 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.307 6.512 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.886 5.300 1.949 1.00 0.00 H new ATOM 675 N THR A 41 0.567 4.542 5.354 1.00 0.00 N ATOM 676 CA THR A 41 1.879 4.344 5.927 1.00 0.00 C ATOM 677 C THR A 41 2.606 3.240 5.174 1.00 0.00 C ATOM 678 O THR A 41 1.969 2.425 4.493 1.00 0.00 O ATOM 679 CB THR A 41 1.773 3.974 7.420 1.00 0.00 C ATOM 680 OG1 THR A 41 0.864 2.879 7.588 1.00 0.00 O ATOM 681 CG2 THR A 41 1.296 5.164 8.237 1.00 0.00 C ATOM 0 H THR A 41 -0.154 3.923 5.725 1.00 0.00 H new ATOM 0 HA THR A 41 2.439 5.275 5.841 1.00 0.00 H new ATOM 0 HB THR A 41 2.762 3.683 7.773 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.802 2.648 8.538 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.228 4.881 9.287 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.002 5.987 8.128 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.315 5.479 7.882 1.00 0.00 H new ATOM 689 N PRO A 42 3.943 3.190 5.267 1.00 0.00 N ATOM 690 CA PRO A 42 4.725 2.111 4.661 1.00 0.00 C ATOM 691 C PRO A 42 4.283 0.752 5.195 1.00 0.00 C ATOM 692 O PRO A 42 4.428 -0.273 4.526 1.00 0.00 O ATOM 693 CB PRO A 42 6.170 2.418 5.078 1.00 0.00 C ATOM 694 CG PRO A 42 6.059 3.395 6.200 1.00 0.00 C ATOM 695 CD PRO A 42 4.801 4.174 5.945 1.00 0.00 C ATOM 0 HA PRO A 42 4.602 2.063 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.688 1.513 5.395 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.738 2.836 4.247 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.013 2.883 7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.927 4.054 6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.352 4.533 6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.986 5.048 5.321 1.00 0.00 H new ATOM 703 N GLU A 43 3.726 0.775 6.404 1.00 0.00 N ATOM 704 CA GLU A 43 3.159 -0.405 7.031 1.00 0.00 C ATOM 705 C GLU A 43 2.067 -1.000 6.148 1.00 0.00 C ATOM 706 O GLU A 43 2.123 -2.169 5.785 1.00 0.00 O ATOM 707 CB GLU A 43 2.577 -0.031 8.397 1.00 0.00 C ATOM 708 CG GLU A 43 1.931 -1.195 9.131 1.00 0.00 C ATOM 709 CD GLU A 43 1.192 -0.755 10.380 1.00 0.00 C ATOM 710 OE1 GLU A 43 1.845 -0.518 11.414 1.00 0.00 O ATOM 711 OE2 GLU A 43 -0.053 -0.642 10.330 1.00 0.00 O ATOM 0 H GLU A 43 3.658 1.618 6.974 1.00 0.00 H new ATOM 0 HA GLU A 43 3.945 -1.148 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.371 0.382 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.836 0.757 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.236 -1.702 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.698 -1.920 9.403 1.00 0.00 H new ATOM 718 N LEU A 44 1.090 -0.173 5.790 1.00 0.00 N ATOM 719 CA LEU A 44 -0.041 -0.617 4.979 1.00 0.00 C ATOM 720 C LEU A 44 0.418 -1.097 3.605 1.00 0.00 C ATOM 721 O LEU A 44 -0.043 -2.128 3.112 1.00 0.00 O ATOM 722 CB LEU A 44 -1.065 0.514 4.820 1.00 0.00 C ATOM 723 CG LEU A 44 -2.136 0.602 5.914 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.515 0.708 7.299 1.00 0.00 C ATOM 725 CD2 LEU A 44 -3.045 1.790 5.653 1.00 0.00 C ATOM 0 H LEU A 44 1.058 0.813 6.050 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.510 -1.454 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.529 1.462 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.564 0.395 3.858 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.723 -0.316 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.305 0.768 8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.900 -0.171 7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.895 1.603 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.803 1.846 6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.455 2.707 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.530 1.671 4.684 1.00 0.00 H new ATOM 737 N VAL A 45 1.337 -0.353 3.004 1.00 0.00 N ATOM 738 CA VAL A 45 1.864 -0.699 1.689 1.00 0.00 C ATOM 739 C VAL A 45 2.544 -2.059 1.720 1.00 0.00 C ATOM 740 O VAL A 45 2.291 -2.912 0.868 1.00 0.00 O ATOM 741 CB VAL A 45 2.865 0.356 1.174 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.360 -0.010 -0.219 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.229 1.735 1.172 1.00 0.00 C ATOM 0 H VAL A 45 1.734 0.496 3.407 1.00 0.00 H new ATOM 0 HA VAL A 45 1.014 -0.730 1.008 1.00 0.00 H new ATOM 0 HB VAL A 45 3.723 0.375 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.065 0.746 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.856 -0.980 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.514 -0.058 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.949 2.467 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.353 1.731 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.928 1.998 2.186 1.00 0.00 H new ATOM 753 N GLU A 46 3.396 -2.266 2.715 1.00 0.00 N ATOM 754 CA GLU A 46 4.115 -3.520 2.832 1.00 0.00 C ATOM 755 C GLU A 46 3.170 -4.628 3.288 1.00 0.00 C ATOM 756 O GLU A 46 3.304 -5.764 2.865 1.00 0.00 O ATOM 757 CB GLU A 46 5.306 -3.377 3.785 1.00 0.00 C ATOM 758 CG GLU A 46 6.266 -4.556 3.739 1.00 0.00 C ATOM 759 CD GLU A 46 7.641 -4.206 4.270 1.00 0.00 C ATOM 760 OE1 GLU A 46 8.413 -3.554 3.533 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.970 -4.592 5.411 1.00 0.00 O ATOM 0 H GLU A 46 3.603 -1.585 3.446 1.00 0.00 H new ATOM 0 HA GLU A 46 4.509 -3.790 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.851 -2.466 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.934 -3.261 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.854 -5.379 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.356 -4.907 2.711 1.00 0.00 H new ATOM 768 N GLN A 47 2.194 -4.280 4.122 1.00 0.00 N ATOM 769 CA GLN A 47 1.195 -5.240 4.585 1.00 0.00 C ATOM 770 C GLN A 47 0.460 -5.837 3.387 1.00 0.00 C ATOM 771 O GLN A 47 0.308 -7.054 3.288 1.00 0.00 O ATOM 772 CB GLN A 47 0.202 -4.553 5.540 1.00 0.00 C ATOM 773 CG GLN A 47 -0.623 -5.501 6.413 1.00 0.00 C ATOM 774 CD GLN A 47 -1.676 -6.296 5.653 1.00 0.00 C ATOM 775 OE1 GLN A 47 -2.037 -7.402 6.046 1.00 0.00 O ATOM 776 NE2 GLN A 47 -2.170 -5.742 4.558 1.00 0.00 N ATOM 0 H GLN A 47 2.073 -3.337 4.492 1.00 0.00 H new ATOM 0 HA GLN A 47 1.694 -6.043 5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.757 -3.876 6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.481 -3.941 4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.052 -6.197 6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.116 -4.921 7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.846 -4.821 4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.875 -6.236 4.010 1.00 0.00 H new ATOM 785 N ALA A 48 0.013 -4.975 2.476 1.00 0.00 N ATOM 786 CA ALA A 48 -0.670 -5.429 1.268 1.00 0.00 C ATOM 787 C ALA A 48 0.256 -6.303 0.434 1.00 0.00 C ATOM 788 O ALA A 48 -0.173 -7.253 -0.217 1.00 0.00 O ATOM 789 CB ALA A 48 -1.159 -4.242 0.452 1.00 0.00 C ATOM 0 H ALA A 48 0.111 -3.963 2.551 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.536 -6.022 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.665 -4.600 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.853 -3.651 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.309 -3.623 0.165 1.00 0.00 H new ATOM 795 N ARG A 49 1.540 -5.991 0.503 1.00 0.00 N ATOM 796 CA ARG A 49 2.566 -6.723 -0.217 1.00 0.00 C ATOM 797 C ARG A 49 2.813 -8.061 0.478 1.00 0.00 C ATOM 798 O ARG A 49 3.220 -9.044 -0.139 1.00 0.00 O ATOM 799 CB ARG A 49 3.827 -5.864 -0.235 1.00 0.00 C ATOM 800 CG ARG A 49 5.000 -6.436 -1.001 1.00 0.00 C ATOM 801 CD ARG A 49 6.173 -5.478 -0.892 1.00 0.00 C ATOM 802 NE ARG A 49 7.414 -6.001 -1.461 1.00 0.00 N ATOM 803 CZ ARG A 49 8.627 -5.673 -1.006 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.742 -4.901 0.071 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.717 -6.115 -1.622 1.00 0.00 N ATOM 0 H ARG A 49 1.900 -5.219 1.063 1.00 0.00 H new ATOM 0 HA ARG A 49 2.259 -6.932 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.577 -4.893 -0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.140 -5.689 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.272 -7.412 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.731 -6.585 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.917 -4.546 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.338 -5.238 0.158 1.00 0.00 H new ATOM 0 HE ARG A 49 7.351 -6.650 -2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.906 -4.561 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.666 -4.649 0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.631 -6.708 -2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.640 -5.861 -1.270 1.00 0.00 H new ATOM 819 N LEU A 50 2.516 -8.076 1.768 1.00 0.00 N ATOM 820 CA LEU A 50 2.728 -9.234 2.610 1.00 0.00 C ATOM 821 C LEU A 50 1.604 -10.239 2.426 1.00 0.00 C ATOM 822 O LEU A 50 1.853 -11.425 2.222 1.00 0.00 O ATOM 823 CB LEU A 50 2.804 -8.795 4.077 1.00 0.00 C ATOM 824 CG LEU A 50 3.869 -9.505 4.918 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.497 -10.963 5.149 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.228 -9.403 4.241 1.00 0.00 C ATOM 0 H LEU A 50 2.118 -7.276 2.260 1.00 0.00 H new ATOM 0 HA LEU A 50 3.666 -9.710 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.995 -7.722 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.831 -8.959 4.539 1.00 0.00 H new ATOM 0 HG LEU A 50 3.923 -9.013 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.269 -11.445 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.543 -11.016 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.412 -11.473 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.976 -9.912 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.181 -9.870 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.502 -8.354 4.131 1.00 0.00 H new ATOM 838 N GLU A 51 0.369 -9.760 2.488 1.00 0.00 N ATOM 839 CA GLU A 51 -0.784 -10.634 2.348 1.00 0.00 C ATOM 840 C GLU A 51 -0.832 -11.244 0.947 1.00 0.00 C ATOM 841 O GLU A 51 -1.198 -12.407 0.784 1.00 0.00 O ATOM 842 CB GLU A 51 -2.086 -9.894 2.678 1.00 0.00 C ATOM 843 CG GLU A 51 -2.376 -8.695 1.793 1.00 0.00 C ATOM 844 CD GLU A 51 -3.696 -8.036 2.140 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.750 -8.681 1.973 1.00 0.00 O ATOM 846 OE2 GLU A 51 -3.691 -6.874 2.598 1.00 0.00 O ATOM 0 H GLU A 51 0.142 -8.776 2.634 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.680 -11.447 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.917 -10.596 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.046 -9.562 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.571 -7.967 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.392 -9.010 0.750 1.00 0.00 H new ATOM 853 N PHE A 52 -0.419 -10.474 -0.060 1.00 0.00 N ATOM 854 CA PHE A 52 -0.332 -11.001 -1.417 1.00 0.00 C ATOM 855 C PHE A 52 0.806 -12.012 -1.510 1.00 0.00 C ATOM 856 O PHE A 52 0.727 -12.989 -2.256 1.00 0.00 O ATOM 857 CB PHE A 52 -0.128 -9.879 -2.440 1.00 0.00 C ATOM 858 CG PHE A 52 -1.305 -8.951 -2.573 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.578 -9.354 -2.196 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.136 -7.672 -3.078 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.657 -8.499 -2.321 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.213 -6.816 -3.204 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.474 -7.229 -2.825 1.00 0.00 C ATOM 0 H PHE A 52 -0.143 -9.497 0.038 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.275 -11.496 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.750 -9.298 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.084 -10.322 -3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.728 -10.348 -1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.152 -7.341 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.643 -8.826 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.068 -5.822 -3.600 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.315 -6.559 -2.923 1.00 0.00 H new ATOM 873 N GLY A 53 1.863 -11.767 -0.740 1.00 0.00 N ATOM 874 CA GLY A 53 2.952 -12.720 -0.640 1.00 0.00 C ATOM 875 C GLY A 53 2.501 -14.023 -0.008 1.00 0.00 C ATOM 876 O GLY A 53 2.890 -15.104 -0.451 1.00 0.00 O ATOM 0 H GLY A 53 1.984 -10.922 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.355 -12.918 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.760 -12.289 -0.048 1.00 0.00 H new ATOM 880 N GLN A 54 1.667 -13.916 1.025 1.00 0.00 N ATOM 881 CA GLN A 54 1.136 -15.088 1.715 1.00 0.00 C ATOM 882 C GLN A 54 0.177 -15.865 0.816 1.00 0.00 C ATOM 883 O GLN A 54 0.073 -17.087 0.920 1.00 0.00 O ATOM 884 CB GLN A 54 0.422 -14.678 3.008 1.00 0.00 C ATOM 885 CG GLN A 54 1.344 -14.030 4.028 1.00 0.00 C ATOM 886 CD GLN A 54 0.644 -13.666 5.324 1.00 0.00 C ATOM 887 OE1 GLN A 54 1.260 -13.664 6.390 1.00 0.00 O ATOM 888 NE2 GLN A 54 -0.637 -13.347 5.246 1.00 0.00 N ATOM 0 H GLN A 54 1.344 -13.025 1.403 1.00 0.00 H new ATOM 0 HA GLN A 54 1.977 -15.735 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.383 -13.985 2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.039 -15.559 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.168 -14.710 4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.780 -13.130 3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.112 -13.361 4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.150 -13.087 6.088 1.00 0.00 H new ATOM 897 N LEU A 55 -0.521 -15.151 -0.060 1.00 0.00 N ATOM 898 CA LEU A 55 -1.416 -15.787 -1.023 1.00 0.00 C ATOM 899 C LEU A 55 -0.619 -16.570 -2.056 1.00 0.00 C ATOM 900 O LEU A 55 -1.045 -17.639 -2.494 1.00 0.00 O ATOM 901 CB LEU A 55 -2.292 -14.744 -1.721 1.00 0.00 C ATOM 902 CG LEU A 55 -3.277 -14.013 -0.810 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.086 -13.002 -1.603 1.00 0.00 C ATOM 904 CD2 LEU A 55 -4.196 -15.007 -0.116 1.00 0.00 C ATOM 0 H LEU A 55 -0.485 -14.134 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.062 -16.476 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.644 -14.007 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.852 -15.236 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.711 -13.477 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.782 -12.491 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.414 -12.272 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.643 -13.516 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.892 -14.470 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.755 -15.569 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.601 -15.695 0.485 1.00 0.00 H new ATOM 916 N GLU A 56 0.541 -16.026 -2.421 1.00 0.00 N ATOM 917 CA GLU A 56 1.445 -16.658 -3.378 1.00 0.00 C ATOM 918 C GLU A 56 0.768 -16.788 -4.744 1.00 0.00 C ATOM 919 O GLU A 56 0.227 -17.840 -5.091 1.00 0.00 O ATOM 920 CB GLU A 56 1.918 -18.019 -2.839 1.00 0.00 C ATOM 921 CG GLU A 56 3.074 -18.648 -3.605 1.00 0.00 C ATOM 922 CD GLU A 56 2.623 -19.653 -4.646 1.00 0.00 C ATOM 923 OE1 GLU A 56 2.064 -20.702 -4.266 1.00 0.00 O ATOM 924 OE2 GLU A 56 2.853 -19.413 -5.848 1.00 0.00 O ATOM 0 H GLU A 56 0.880 -15.134 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 56 2.326 -16.030 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.216 -17.897 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.075 -18.710 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.649 -17.861 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.744 -19.140 -2.900 1.00 0.00 H new ATOM 931 N HIS A 57 0.785 -15.681 -5.497 1.00 0.00 N ATOM 932 CA HIS A 57 0.127 -15.594 -6.807 1.00 0.00 C ATOM 933 C HIS A 57 -1.390 -15.684 -6.652 1.00 0.00 C ATOM 934 O HIS A 57 -1.900 -15.835 -5.544 1.00 0.00 O ATOM 935 CB HIS A 57 0.637 -16.681 -7.758 1.00 0.00 C ATOM 936 CG HIS A 57 2.106 -16.589 -8.042 1.00 0.00 C ATOM 937 ND1 HIS A 57 3.039 -17.396 -7.433 1.00 0.00 N ATOM 938 CD2 HIS A 57 2.804 -15.778 -8.875 1.00 0.00 C ATOM 939 CE1 HIS A 57 4.242 -17.091 -7.873 1.00 0.00 C ATOM 940 NE2 HIS A 57 4.129 -16.114 -8.748 1.00 0.00 N ATOM 0 H HIS A 57 1.255 -14.821 -5.216 1.00 0.00 H new ATOM 0 HA HIS A 57 0.375 -14.626 -7.243 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.419 -17.659 -7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.089 -16.616 -8.698 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.831 -18.120 -6.746 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.395 -15.012 -9.517 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.165 -17.562 -7.568 1.00 0.00 H new ATOM 949 N HIS A 58 -2.117 -15.577 -7.757 1.00 0.00 N ATOM 950 CA HIS A 58 -3.572 -15.630 -7.703 1.00 0.00 C ATOM 951 C HIS A 58 -4.169 -16.017 -9.054 1.00 0.00 C ATOM 952 O HIS A 58 -4.536 -15.162 -9.858 1.00 0.00 O ATOM 953 CB HIS A 58 -4.166 -14.297 -7.200 1.00 0.00 C ATOM 954 CG HIS A 58 -3.839 -13.095 -8.042 1.00 0.00 C ATOM 955 ND1 HIS A 58 -4.795 -12.374 -8.724 1.00 0.00 N ATOM 956 CD2 HIS A 58 -2.657 -12.488 -8.307 1.00 0.00 C ATOM 957 CE1 HIS A 58 -4.219 -11.379 -9.368 1.00 0.00 C ATOM 958 NE2 HIS A 58 -2.923 -11.426 -9.131 1.00 0.00 N ATOM 0 H HIS A 58 -1.728 -15.454 -8.692 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.840 -16.407 -6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.250 -14.398 -7.144 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.810 -14.118 -6.185 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.687 -12.786 -7.938 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.723 -10.649 -9.985 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.230 -10.776 -9.502 1.00 0.00 H new ATOM 967 N HIS A 59 -4.230 -17.314 -9.309 1.00 0.00 N ATOM 968 CA HIS A 59 -4.881 -17.825 -10.509 1.00 0.00 C ATOM 969 C HIS A 59 -5.112 -19.329 -10.391 1.00 0.00 C ATOM 970 O HIS A 59 -6.078 -19.860 -10.938 1.00 0.00 O ATOM 971 CB HIS A 59 -4.055 -17.511 -11.762 1.00 0.00 C ATOM 972 CG HIS A 59 -4.869 -17.504 -13.021 1.00 0.00 C ATOM 973 ND1 HIS A 59 -5.158 -16.352 -13.722 1.00 0.00 N ATOM 974 CD2 HIS A 59 -5.471 -18.510 -13.698 1.00 0.00 C ATOM 975 CE1 HIS A 59 -5.906 -16.652 -14.767 1.00 0.00 C ATOM 976 NE2 HIS A 59 -6.109 -17.954 -14.777 1.00 0.00 N ATOM 0 H HIS A 59 -3.837 -18.034 -8.702 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.846 -17.327 -10.605 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.578 -16.538 -11.640 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.257 -18.248 -11.857 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.452 -19.558 -13.436 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.288 -15.949 -15.492 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.652 -18.465 -15.473 1.00 0.00 H new ATOM 985 N HIS A 60 -4.226 -20.014 -9.671 1.00 0.00 N ATOM 986 CA HIS A 60 -4.379 -21.453 -9.437 1.00 0.00 C ATOM 987 C HIS A 60 -5.545 -21.755 -8.495 1.00 0.00 C ATOM 988 O HIS A 60 -5.922 -22.913 -8.329 1.00 0.00 O ATOM 989 CB HIS A 60 -3.079 -22.086 -8.911 1.00 0.00 C ATOM 990 CG HIS A 60 -2.461 -21.397 -7.727 1.00 0.00 C ATOM 991 ND1 HIS A 60 -1.376 -20.559 -7.839 1.00 0.00 N ATOM 992 CD2 HIS A 60 -2.754 -21.450 -6.407 1.00 0.00 C ATOM 993 CE1 HIS A 60 -1.028 -20.127 -6.643 1.00 0.00 C ATOM 994 NE2 HIS A 60 -1.846 -20.652 -5.751 1.00 0.00 N ATOM 0 H HIS A 60 -3.398 -19.601 -9.241 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.605 -21.904 -10.403 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.282 -23.122 -8.642 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.350 -22.104 -9.721 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.554 -22.015 -5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.210 -19.455 -6.429 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.811 -20.493 -4.744 1.00 0.00 H new ATOM 1003 N HIS A 61 -6.093 -20.703 -7.874 1.00 0.00 N ATOM 1004 CA HIS A 61 -7.320 -20.804 -7.069 1.00 0.00 C ATOM 1005 C HIS A 61 -7.099 -21.575 -5.761 1.00 0.00 C ATOM 1006 O HIS A 61 -6.175 -22.381 -5.637 1.00 0.00 O ATOM 1007 CB HIS A 61 -8.439 -21.461 -7.901 1.00 0.00 C ATOM 1008 CG HIS A 61 -9.772 -21.532 -7.216 1.00 0.00 C ATOM 1009 ND1 HIS A 61 -10.282 -22.694 -6.674 1.00 0.00 N ATOM 1010 CD2 HIS A 61 -10.708 -20.580 -7.002 1.00 0.00 C ATOM 1011 CE1 HIS A 61 -11.469 -22.450 -6.156 1.00 0.00 C ATOM 1012 NE2 HIS A 61 -11.749 -21.177 -6.341 1.00 0.00 N ATOM 0 H HIS A 61 -5.702 -19.762 -7.914 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.617 -19.792 -6.793 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.554 -20.906 -8.832 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.129 -22.471 -8.168 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.647 -19.543 -7.297 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.104 -23.172 -5.664 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -12.604 -20.710 -6.040 1.00 0.00 H new ATOM 1021 N HIS A 62 -7.935 -21.284 -4.773 1.00 0.00 N ATOM 1022 CA HIS A 62 -7.983 -22.067 -3.548 1.00 0.00 C ATOM 1023 C HIS A 62 -9.433 -22.222 -3.104 1.00 0.00 C ATOM 1024 O HIS A 62 -9.856 -23.360 -2.824 1.00 0.00 O ATOM 1025 CB HIS A 62 -7.127 -21.443 -2.428 1.00 0.00 C ATOM 1026 CG HIS A 62 -7.620 -20.123 -1.902 1.00 0.00 C ATOM 1027 ND1 HIS A 62 -8.627 -20.014 -0.967 1.00 0.00 N ATOM 1028 CD2 HIS A 62 -7.217 -18.857 -2.162 1.00 0.00 C ATOM 1029 CE1 HIS A 62 -8.822 -18.745 -0.678 1.00 0.00 C ATOM 1030 NE2 HIS A 62 -7.980 -18.017 -1.384 1.00 0.00 N ATOM 1031 OXT HIS A 62 -10.154 -21.205 -3.077 1.00 0.00 O ATOM 0 H HIS A 62 -8.593 -20.505 -4.798 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.559 -23.050 -3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.073 -22.148 -1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.111 -21.310 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.441 -18.561 -2.852 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.551 -18.363 0.022 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.906 -17.000 -1.358 1.00 0.00 H new TER 1040 HIS A 62