USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 ASN : amide:sc= 0 X(o=0,f=0.00079) USER MOD Set 2.1: A 38 MET CE :methyl -146:sc= -0.412 (180deg=-2.31!) USER MOD Set 2.2: A 48 MET CE :methyl 160:sc= -4.42! (180deg=-5.18!) USER MOD Set 3.1: A 20 THR OG1 : rot 31:sc= -0.796! USER MOD Set 3.2: A 51 TYR OH : rot 65:sc= 0.659 USER MOD Set 4.1: A 1 ALA N :NH3+ 154:sc= 0.834 (180deg=-0.486!) USER MOD Set 4.2: A 4 GLN : amide:sc= -0.133 K(o=0.74,f=-5.1) USER MOD Set 4.3: A 14 GLN : amide:sc= 0.0378 K(o=0.74,f=-5.1!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 6 HIS : no HE2:sc= 1.26 K(o=1.3,f=-4!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -142:sc= -0.836 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.24! K(o=-3.2!,f=-1.9) USER MOD Single : A 22 SER OG : rot 92:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.18) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= -0.0144 (180deg=-0.151) USER MOD Single : A 30 THR OG1 : rot 127:sc= 0.34 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 32:sc= 0.429 USER MOD Single : A 40 SER OG : rot 93:sc= 0.682 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.04! K(o=-2!,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0256 X(o=-0.026,f=-0.42) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.24 K(o=1.2,f=-3.8!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.957 7.621 -6.039 1.00 0.00 N ATOM 2 CA ALA A 1 -11.345 8.914 -5.795 1.00 0.00 C ATOM 3 C ALA A 1 -12.403 9.879 -5.308 1.00 0.00 C ATOM 4 O ALA A 1 -13.588 9.624 -5.481 1.00 0.00 O ATOM 5 CB ALA A 1 -10.683 9.444 -7.061 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.404 7.104 -6.752 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.978 7.074 -5.154 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.928 7.756 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.572 8.807 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.230 10.414 -6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.912 8.746 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.432 9.552 -7.846 1.00 0.00 H new ATOM 13 N ASP A 2 -11.964 10.956 -4.641 1.00 0.00 N ATOM 14 CA ASP A 2 -12.819 12.063 -4.108 1.00 0.00 C ATOM 15 C ASP A 2 -13.702 11.674 -2.921 1.00 0.00 C ATOM 16 O ASP A 2 -14.029 12.513 -2.078 1.00 0.00 O ATOM 17 CB ASP A 2 -13.673 12.730 -5.201 1.00 0.00 C ATOM 18 CG ASP A 2 -12.860 13.504 -6.211 1.00 0.00 C ATOM 19 OD1 ASP A 2 -12.519 12.951 -7.271 1.00 0.00 O ATOM 20 OD2 ASP A 2 -12.560 14.698 -5.969 1.00 0.00 O ATOM 0 H ASP A 2 -10.974 11.099 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.095 12.787 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.248 11.963 -5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.390 13.403 -4.731 1.00 0.00 H new ATOM 25 N LYS A 3 -14.071 10.424 -2.847 1.00 0.00 N ATOM 26 CA LYS A 3 -14.957 9.917 -1.817 1.00 0.00 C ATOM 27 C LYS A 3 -14.279 9.708 -0.457 1.00 0.00 C ATOM 28 O LYS A 3 -14.177 8.596 0.018 1.00 0.00 O ATOM 29 CB LYS A 3 -15.642 8.630 -2.295 1.00 0.00 C ATOM 30 CG LYS A 3 -16.677 8.839 -3.400 1.00 0.00 C ATOM 31 CD LYS A 3 -17.884 9.634 -2.898 1.00 0.00 C ATOM 32 CE LYS A 3 -18.630 8.880 -1.801 1.00 0.00 C ATOM 33 NZ LYS A 3 -19.766 9.645 -1.272 1.00 0.00 N ATOM 0 H LYS A 3 -13.763 9.712 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.707 10.690 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.880 7.939 -2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.128 8.154 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.216 9.365 -4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.009 7.871 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.552 10.600 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.561 9.834 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.988 7.929 -2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.941 8.649 -0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.241 9.092 -0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.424 10.541 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.439 9.844 -2.040 1.00 0.00 H new ATOM 47 N GLN A 4 -13.805 10.770 0.132 1.00 0.00 N ATOM 48 CA GLN A 4 -13.238 10.729 1.460 1.00 0.00 C ATOM 49 C GLN A 4 -13.789 11.891 2.260 1.00 0.00 C ATOM 50 O GLN A 4 -14.150 12.926 1.687 1.00 0.00 O ATOM 51 CB GLN A 4 -11.696 10.718 1.443 1.00 0.00 C ATOM 52 CG GLN A 4 -11.038 11.852 0.700 1.00 0.00 C ATOM 53 CD GLN A 4 -9.536 11.681 0.659 1.00 0.00 C ATOM 54 OE1 GLN A 4 -9.003 11.071 -0.254 1.00 0.00 O ATOM 55 NE2 GLN A 4 -8.854 12.179 1.642 1.00 0.00 N ATOM 0 H GLN A 4 -13.799 11.696 -0.295 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.527 9.793 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.340 10.730 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.363 9.779 1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.429 11.900 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.286 12.798 1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.331 12.684 2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.841 12.066 1.668 1.00 0.00 H new ATOM 64 N THR A 5 -13.887 11.722 3.547 1.00 0.00 N ATOM 65 CA THR A 5 -14.471 12.715 4.407 1.00 0.00 C ATOM 66 C THR A 5 -13.498 13.862 4.669 1.00 0.00 C ATOM 67 O THR A 5 -13.830 15.036 4.480 1.00 0.00 O ATOM 68 CB THR A 5 -14.902 12.044 5.716 1.00 0.00 C ATOM 69 OG1 THR A 5 -13.871 11.117 6.105 1.00 0.00 O ATOM 70 CG2 THR A 5 -16.213 11.292 5.535 1.00 0.00 C ATOM 0 H THR A 5 -13.562 10.887 4.034 1.00 0.00 H new ATOM 0 HA THR A 5 -15.344 13.147 3.918 1.00 0.00 H new ATOM 0 HB THR A 5 -15.050 12.806 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.126 10.677 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.498 10.825 6.478 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.992 11.988 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 5 -16.089 10.524 4.772 1.00 0.00 H new ATOM 78 N HIS A 6 -12.306 13.517 5.076 1.00 0.00 N ATOM 79 CA HIS A 6 -11.261 14.487 5.340 1.00 0.00 C ATOM 80 C HIS A 6 -10.019 14.046 4.621 1.00 0.00 C ATOM 81 O HIS A 6 -10.030 13.012 3.977 1.00 0.00 O ATOM 82 CB HIS A 6 -11.005 14.657 6.856 1.00 0.00 C ATOM 83 CG HIS A 6 -12.155 15.280 7.594 1.00 0.00 C ATOM 84 ND1 HIS A 6 -12.796 14.704 8.669 1.00 0.00 N ATOM 85 CD2 HIS A 6 -12.773 16.462 7.383 1.00 0.00 C ATOM 86 CE1 HIS A 6 -13.770 15.533 9.062 1.00 0.00 C ATOM 87 NE2 HIS A 6 -13.798 16.622 8.310 1.00 0.00 N ATOM 0 H HIS A 6 -12.024 12.550 5.237 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.573 15.465 4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.791 13.681 7.291 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.116 15.272 6.999 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -12.568 13.804 9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.512 17.173 6.613 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -14.444 15.339 9.884 1.00 0.00 H new ATOM 95 N GLU A 7 -8.943 14.786 4.719 1.00 0.00 N ATOM 96 CA GLU A 7 -7.746 14.422 3.979 1.00 0.00 C ATOM 97 C GLU A 7 -6.902 13.382 4.667 1.00 0.00 C ATOM 98 O GLU A 7 -6.026 12.767 4.065 1.00 0.00 O ATOM 99 CB GLU A 7 -6.963 15.625 3.489 1.00 0.00 C ATOM 100 CG GLU A 7 -7.746 16.434 2.467 1.00 0.00 C ATOM 101 CD GLU A 7 -6.961 17.559 1.865 1.00 0.00 C ATOM 102 OE1 GLU A 7 -6.232 17.322 0.895 1.00 0.00 O ATOM 103 OE2 GLU A 7 -7.079 18.705 2.340 1.00 0.00 O ATOM 0 H GLU A 7 -8.864 15.628 5.289 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.102 13.926 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.707 16.261 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.025 15.291 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.083 15.770 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.639 16.839 2.943 1.00 0.00 H new ATOM 110 N THR A 8 -7.184 13.168 5.899 1.00 0.00 N ATOM 111 CA THR A 8 -6.523 12.123 6.647 1.00 0.00 C ATOM 112 C THR A 8 -7.525 10.998 6.970 1.00 0.00 C ATOM 113 O THR A 8 -7.219 10.010 7.650 1.00 0.00 O ATOM 114 CB THR A 8 -5.838 12.680 7.925 1.00 0.00 C ATOM 115 OG1 THR A 8 -5.087 13.871 7.594 1.00 0.00 O ATOM 116 CG2 THR A 8 -4.872 11.662 8.497 1.00 0.00 C ATOM 0 H THR A 8 -7.873 13.700 6.430 1.00 0.00 H new ATOM 0 HA THR A 8 -5.727 11.703 6.032 1.00 0.00 H new ATOM 0 HB THR A 8 -6.614 12.904 8.656 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.657 14.222 8.402 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.402 12.070 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.413 10.751 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.106 11.432 7.757 1.00 0.00 H new ATOM 124 N GLU A 9 -8.693 11.128 6.417 1.00 0.00 N ATOM 125 CA GLU A 9 -9.749 10.172 6.632 1.00 0.00 C ATOM 126 C GLU A 9 -10.329 9.748 5.329 1.00 0.00 C ATOM 127 O GLU A 9 -11.032 10.509 4.663 1.00 0.00 O ATOM 128 CB GLU A 9 -10.821 10.732 7.516 1.00 0.00 C ATOM 129 CG GLU A 9 -10.423 10.933 8.952 1.00 0.00 C ATOM 130 CD GLU A 9 -11.567 11.435 9.764 1.00 0.00 C ATOM 131 OE1 GLU A 9 -11.634 12.648 10.017 1.00 0.00 O ATOM 132 OE2 GLU A 9 -12.435 10.638 10.151 1.00 0.00 O ATOM 0 H GLU A 9 -8.946 11.901 5.801 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.320 9.305 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.144 11.689 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.682 10.065 7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.064 9.991 9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.596 11.641 9.007 1.00 0.00 H new ATOM 139 N LEU A 10 -10.054 8.547 4.969 1.00 0.00 N ATOM 140 CA LEU A 10 -10.444 8.055 3.708 1.00 0.00 C ATOM 141 C LEU A 10 -11.220 6.798 3.910 1.00 0.00 C ATOM 142 O LEU A 10 -11.314 6.295 5.026 1.00 0.00 O ATOM 143 CB LEU A 10 -9.225 7.753 2.845 1.00 0.00 C ATOM 144 CG LEU A 10 -7.996 8.640 3.030 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.091 8.092 4.130 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.258 8.782 1.732 1.00 0.00 C ATOM 0 H LEU A 10 -9.548 7.877 5.548 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.049 8.808 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.927 6.721 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.529 7.812 1.800 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.325 9.631 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.222 8.741 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.642 8.056 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.762 7.088 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.384 9.417 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.939 7.799 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.914 9.234 0.988 1.00 0.00 H new ATOM 158 N THR A 11 -11.755 6.286 2.855 1.00 0.00 N ATOM 159 CA THR A 11 -12.506 5.091 2.925 1.00 0.00 C ATOM 160 C THR A 11 -11.637 3.950 2.482 1.00 0.00 C ATOM 161 O THR A 11 -10.495 4.165 2.051 1.00 0.00 O ATOM 162 CB THR A 11 -13.758 5.177 2.039 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.349 5.247 0.664 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.546 6.434 2.364 1.00 0.00 C ATOM 0 H THR A 11 -11.681 6.689 1.921 1.00 0.00 H new ATOM 0 HA THR A 11 -12.835 4.933 3.952 1.00 0.00 H new ATOM 0 HB THR A 11 -14.379 4.299 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.939 5.860 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.431 6.483 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.851 6.412 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.923 7.310 2.186 1.00 0.00 H new ATOM 172 N PHE A 12 -12.159 2.759 2.576 1.00 0.00 N ATOM 173 CA PHE A 12 -11.444 1.578 2.200 1.00 0.00 C ATOM 174 C PHE A 12 -11.064 1.620 0.718 1.00 0.00 C ATOM 175 O PHE A 12 -9.955 1.281 0.314 1.00 0.00 O ATOM 176 CB PHE A 12 -12.274 0.334 2.545 1.00 0.00 C ATOM 177 CG PHE A 12 -11.612 -0.962 2.201 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.254 -1.893 1.414 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.343 -1.237 2.646 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.640 -3.077 1.078 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.724 -2.417 2.320 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.370 -3.340 1.536 1.00 0.00 C ATOM 0 H PHE A 12 -13.103 2.582 2.920 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.513 1.528 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.495 0.344 3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.228 0.391 2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.253 -1.690 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.825 -0.515 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.153 -3.797 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.727 -2.620 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.883 -4.269 1.280 1.00 0.00 H new ATOM 192 N ASP A 13 -12.012 2.124 -0.050 1.00 0.00 N ATOM 193 CA ASP A 13 -11.831 2.358 -1.487 1.00 0.00 C ATOM 194 C ASP A 13 -10.777 3.397 -1.762 1.00 0.00 C ATOM 195 O ASP A 13 -9.934 3.216 -2.625 1.00 0.00 O ATOM 196 CB ASP A 13 -13.145 2.718 -2.186 1.00 0.00 C ATOM 197 CG ASP A 13 -14.083 1.545 -2.312 1.00 0.00 C ATOM 198 OD1 ASP A 13 -14.125 0.903 -3.391 1.00 0.00 O ATOM 199 OD2 ASP A 13 -14.775 1.212 -1.334 1.00 0.00 O ATOM 0 H ASP A 13 -12.934 2.386 0.297 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.484 1.414 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.640 3.514 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.927 3.110 -3.179 1.00 0.00 H new ATOM 204 N GLN A 14 -10.759 4.427 -0.941 1.00 0.00 N ATOM 205 CA GLN A 14 -9.831 5.539 -1.118 1.00 0.00 C ATOM 206 C GLN A 14 -8.443 5.096 -0.761 1.00 0.00 C ATOM 207 O GLN A 14 -7.460 5.509 -1.380 1.00 0.00 O ATOM 208 CB GLN A 14 -10.211 6.695 -0.241 1.00 0.00 C ATOM 209 CG GLN A 14 -11.476 7.396 -0.630 1.00 0.00 C ATOM 210 CD GLN A 14 -11.356 8.133 -1.931 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.660 7.612 -2.995 1.00 0.00 O ATOM 212 NE2 GLN A 14 -10.893 9.343 -1.854 1.00 0.00 N ATOM 0 H GLN A 14 -11.379 4.523 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.871 5.856 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.312 6.336 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.396 7.419 -0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.282 6.666 -0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.753 8.098 0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.652 9.740 -0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.771 9.897 -2.702 1.00 0.00 H new ATOM 221 N VAL A 15 -8.363 4.274 0.261 1.00 0.00 N ATOM 222 CA VAL A 15 -7.120 3.795 0.741 1.00 0.00 C ATOM 223 C VAL A 15 -6.581 2.817 -0.246 1.00 0.00 C ATOM 224 O VAL A 15 -5.389 2.830 -0.556 1.00 0.00 O ATOM 225 CB VAL A 15 -7.199 3.202 2.152 1.00 0.00 C ATOM 226 CG1 VAL A 15 -5.898 2.535 2.460 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.420 4.309 3.158 1.00 0.00 C ATOM 0 H VAL A 15 -9.173 3.927 0.775 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.439 4.641 0.838 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.022 2.489 2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.937 2.107 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.714 1.743 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.093 3.268 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.476 3.884 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.592 5.016 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.352 4.826 2.931 1.00 0.00 H new ATOM 237 N LYS A 16 -7.440 1.975 -0.750 1.00 0.00 N ATOM 238 CA LYS A 16 -7.076 1.095 -1.804 1.00 0.00 C ATOM 239 C LYS A 16 -6.524 1.878 -2.961 1.00 0.00 C ATOM 240 O LYS A 16 -5.463 1.582 -3.437 1.00 0.00 O ATOM 241 CB LYS A 16 -8.261 0.246 -2.240 1.00 0.00 C ATOM 242 CG LYS A 16 -8.499 -1.004 -1.390 1.00 0.00 C ATOM 243 CD LYS A 16 -9.557 -1.930 -1.998 1.00 0.00 C ATOM 244 CE LYS A 16 -10.937 -1.298 -2.025 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.928 -2.151 -2.717 1.00 0.00 N ATOM 0 H LYS A 16 -8.407 1.886 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.302 0.420 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.160 0.862 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.111 -0.059 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.562 -1.550 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.813 -0.706 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.263 -2.195 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.596 -2.857 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.270 -1.112 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.882 -0.330 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.855 -1.680 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.625 -2.308 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.001 -3.066 -2.227 1.00 0.00 H new ATOM 259 N GLU A 17 -7.209 2.912 -3.351 1.00 0.00 N ATOM 260 CA GLU A 17 -6.725 3.778 -4.399 1.00 0.00 C ATOM 261 C GLU A 17 -5.387 4.466 -4.046 1.00 0.00 C ATOM 262 O GLU A 17 -4.557 4.679 -4.939 1.00 0.00 O ATOM 263 CB GLU A 17 -7.782 4.784 -4.810 1.00 0.00 C ATOM 264 CG GLU A 17 -8.966 4.160 -5.530 1.00 0.00 C ATOM 265 CD GLU A 17 -10.046 5.165 -5.834 1.00 0.00 C ATOM 266 OE1 GLU A 17 -11.087 5.162 -5.174 1.00 0.00 O ATOM 267 OE2 GLU A 17 -9.859 6.013 -6.739 1.00 0.00 O ATOM 0 H GLU A 17 -8.111 3.182 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.516 3.139 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.140 5.305 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.327 5.533 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.624 3.705 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.380 3.359 -4.917 1.00 0.00 H new ATOM 274 N GLN A 18 -5.129 4.756 -2.737 1.00 0.00 N ATOM 275 CA GLN A 18 -3.894 5.429 -2.361 1.00 0.00 C ATOM 276 C GLN A 18 -2.756 4.482 -2.560 1.00 0.00 C ATOM 277 O GLN A 18 -1.758 4.794 -3.207 1.00 0.00 O ATOM 278 CB GLN A 18 -3.930 6.091 -0.947 1.00 0.00 C ATOM 279 CG GLN A 18 -3.665 5.197 0.238 1.00 0.00 C ATOM 280 CD GLN A 18 -3.608 5.960 1.544 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.556 6.419 1.957 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.722 6.121 2.193 1.00 0.00 N ATOM 0 H GLN A 18 -5.752 4.534 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.754 6.288 -3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.197 6.898 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.910 6.549 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.446 4.439 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.722 4.671 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.588 5.727 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.731 6.642 3.070 1.00 0.00 H new ATOM 291 N LEU A 19 -2.959 3.316 -2.048 1.00 0.00 N ATOM 292 CA LEU A 19 -2.024 2.253 -2.089 1.00 0.00 C ATOM 293 C LEU A 19 -1.789 1.777 -3.494 1.00 0.00 C ATOM 294 O LEU A 19 -0.662 1.515 -3.878 1.00 0.00 O ATOM 295 CB LEU A 19 -2.547 1.150 -1.237 1.00 0.00 C ATOM 296 CG LEU A 19 -2.277 1.252 0.257 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.069 0.209 0.990 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.791 1.084 0.553 1.00 0.00 C ATOM 0 H LEU A 19 -3.824 3.070 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.061 2.599 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.625 1.089 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.122 0.212 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.583 2.242 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.872 0.287 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.132 0.363 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.779 -0.781 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.623 1.161 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.458 0.107 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.228 1.864 0.041 1.00 0.00 H new ATOM 310 N THR A 20 -2.848 1.712 -4.259 1.00 0.00 N ATOM 311 CA THR A 20 -2.769 1.316 -5.634 1.00 0.00 C ATOM 312 C THR A 20 -1.873 2.252 -6.405 1.00 0.00 C ATOM 313 O THR A 20 -0.896 1.815 -6.984 1.00 0.00 O ATOM 314 CB THR A 20 -4.184 1.262 -6.256 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.888 0.141 -5.727 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.169 1.223 -7.784 1.00 0.00 C ATOM 0 H THR A 20 -3.791 1.934 -3.941 1.00 0.00 H new ATOM 0 HA THR A 20 -2.334 0.318 -5.687 1.00 0.00 H new ATOM 0 HB THR A 20 -4.696 2.186 -5.987 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.585 -0.033 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.192 1.186 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.676 2.117 -8.166 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.628 0.338 -8.120 1.00 0.00 H new ATOM 324 N GLU A 21 -2.145 3.530 -6.316 1.00 0.00 N ATOM 325 CA GLU A 21 -1.401 4.512 -7.073 1.00 0.00 C ATOM 326 C GLU A 21 0.060 4.542 -6.630 1.00 0.00 C ATOM 327 O GLU A 21 0.975 4.599 -7.437 1.00 0.00 O ATOM 328 CB GLU A 21 -2.062 5.868 -6.929 1.00 0.00 C ATOM 329 CG GLU A 21 -1.381 6.985 -7.697 1.00 0.00 C ATOM 330 CD GLU A 21 -2.105 8.279 -7.554 1.00 0.00 C ATOM 331 OE1 GLU A 21 -3.108 8.496 -8.269 1.00 0.00 O ATOM 332 OE2 GLU A 21 -1.706 9.101 -6.707 1.00 0.00 O ATOM 0 H GLU A 21 -2.880 3.918 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.408 4.239 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.096 5.791 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.089 6.135 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.358 7.100 -7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.322 6.717 -8.752 1.00 0.00 H new ATOM 339 N SER A 22 0.249 4.444 -5.348 1.00 0.00 N ATOM 340 CA SER A 22 1.569 4.482 -4.755 1.00 0.00 C ATOM 341 C SER A 22 2.364 3.233 -5.120 1.00 0.00 C ATOM 342 O SER A 22 3.561 3.307 -5.422 1.00 0.00 O ATOM 343 CB SER A 22 1.454 4.658 -3.251 1.00 0.00 C ATOM 344 OG SER A 22 0.706 5.840 -2.959 1.00 0.00 O ATOM 0 H SER A 22 -0.508 4.335 -4.673 1.00 0.00 H new ATOM 0 HA SER A 22 2.115 5.336 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.966 3.789 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.447 4.725 -2.806 1.00 0.00 H new ATOM 0 HG SER A 22 -0.242 5.612 -2.865 1.00 0.00 H new ATOM 350 N GLY A 23 1.687 2.097 -5.143 1.00 0.00 N ATOM 351 CA GLY A 23 2.288 0.859 -5.550 1.00 0.00 C ATOM 352 C GLY A 23 2.678 0.910 -6.991 1.00 0.00 C ATOM 353 O GLY A 23 3.655 0.326 -7.385 1.00 0.00 O ATOM 0 H GLY A 23 0.705 2.018 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.167 0.657 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.589 0.039 -5.386 1.00 0.00 H new ATOM 357 N LYS A 24 1.885 1.620 -7.759 1.00 0.00 N ATOM 358 CA LYS A 24 2.148 1.851 -9.159 1.00 0.00 C ATOM 359 C LYS A 24 3.395 2.694 -9.376 1.00 0.00 C ATOM 360 O LYS A 24 4.148 2.468 -10.332 1.00 0.00 O ATOM 361 CB LYS A 24 0.934 2.474 -9.794 1.00 0.00 C ATOM 362 CG LYS A 24 -0.243 1.513 -9.833 1.00 0.00 C ATOM 363 CD LYS A 24 -0.088 0.484 -10.939 1.00 0.00 C ATOM 364 CE LYS A 24 -0.306 1.117 -12.285 1.00 0.00 C ATOM 365 NZ LYS A 24 0.212 0.298 -13.402 1.00 0.00 N ATOM 0 H LYS A 24 1.028 2.059 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 24 2.348 0.893 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.653 3.369 -9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.177 2.791 -10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.331 1.005 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.166 2.073 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.908 0.043 -10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.802 -0.326 -10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.373 1.287 -12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.178 2.093 -12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.306 0.532 -14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.224 0.496 -13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.083 -0.710 -13.182 1.00 0.00 H new ATOM 379 N LYS A 25 3.645 3.632 -8.469 1.00 0.00 N ATOM 380 CA LYS A 25 4.786 4.518 -8.550 1.00 0.00 C ATOM 381 C LYS A 25 6.025 3.767 -8.171 1.00 0.00 C ATOM 382 O LYS A 25 7.083 3.916 -8.773 1.00 0.00 O ATOM 383 CB LYS A 25 4.573 5.702 -7.605 1.00 0.00 C ATOM 384 CG LYS A 25 3.337 6.526 -7.938 1.00 0.00 C ATOM 385 CD LYS A 25 3.043 7.608 -6.898 1.00 0.00 C ATOM 386 CE LYS A 25 4.166 8.624 -6.786 1.00 0.00 C ATOM 387 NZ LYS A 25 4.413 9.323 -8.058 1.00 0.00 N ATOM 0 H LYS A 25 3.054 3.795 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 25 4.896 4.891 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.489 5.331 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.451 6.347 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.471 6.994 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.476 5.863 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.118 8.121 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.882 7.140 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.918 9.353 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.079 8.121 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.050 10.128 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.852 8.667 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.512 9.668 -8.445 1.00 0.00 H new ATOM 401 N ARG A 26 5.875 2.951 -7.170 1.00 0.00 N ATOM 402 CA ARG A 26 6.968 2.189 -6.650 1.00 0.00 C ATOM 403 C ARG A 26 7.293 1.005 -7.546 1.00 0.00 C ATOM 404 O ARG A 26 8.436 0.744 -7.893 1.00 0.00 O ATOM 405 CB ARG A 26 6.641 1.654 -5.272 1.00 0.00 C ATOM 406 CG ARG A 26 6.427 2.665 -4.157 1.00 0.00 C ATOM 407 CD ARG A 26 6.186 1.880 -2.875 1.00 0.00 C ATOM 408 NE ARG A 26 6.275 2.638 -1.619 1.00 0.00 N ATOM 409 CZ ARG A 26 6.964 2.174 -0.548 1.00 0.00 C ATOM 410 NH1 ARG A 26 7.808 1.155 -0.709 1.00 0.00 N ATOM 411 NH2 ARG A 26 6.849 2.753 0.650 1.00 0.00 N ATOM 0 H ARG A 26 4.988 2.796 -6.691 1.00 0.00 H new ATOM 0 HA ARG A 26 7.826 2.860 -6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.739 1.047 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.449 0.987 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.297 3.313 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.576 3.308 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.196 1.428 -2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.907 1.064 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 26 5.804 3.540 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.929 0.734 -1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.333 0.796 0.089 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.235 3.558 0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.375 2.390 1.445 1.00 0.00 H new ATOM 425 N GLY A 27 6.232 0.317 -7.912 1.00 0.00 N ATOM 426 CA GLY A 27 6.283 -0.903 -8.659 1.00 0.00 C ATOM 427 C GLY A 27 6.255 -2.046 -7.707 1.00 0.00 C ATOM 428 O GLY A 27 6.483 -3.201 -8.073 1.00 0.00 O ATOM 0 H GLY A 27 5.282 0.610 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.438 -0.962 -9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.188 -0.938 -9.265 1.00 0.00 H new ATOM 432 N VAL A 28 5.917 -1.721 -6.474 1.00 0.00 N ATOM 433 CA VAL A 28 5.951 -2.645 -5.396 1.00 0.00 C ATOM 434 C VAL A 28 5.321 -2.007 -4.170 1.00 0.00 C ATOM 435 O VAL A 28 5.208 -0.793 -4.097 1.00 0.00 O ATOM 436 CB VAL A 28 7.419 -3.050 -5.111 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.265 -1.885 -4.644 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.507 -4.187 -4.170 1.00 0.00 C ATOM 0 H VAL A 28 5.608 -0.787 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 28 5.387 -3.542 -5.653 1.00 0.00 H new ATOM 0 HB VAL A 28 7.832 -3.379 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.284 -2.226 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.275 -1.112 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.846 -1.477 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.554 -4.437 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.040 -3.913 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.992 -5.050 -4.593 1.00 0.00 H new ATOM 448 N LEU A 29 4.857 -2.820 -3.271 1.00 0.00 N ATOM 449 CA LEU A 29 4.324 -2.375 -2.019 1.00 0.00 C ATOM 450 C LEU A 29 4.675 -3.356 -0.940 1.00 0.00 C ATOM 451 O LEU A 29 4.620 -4.557 -1.164 1.00 0.00 O ATOM 452 CB LEU A 29 2.806 -2.238 -2.068 1.00 0.00 C ATOM 453 CG LEU A 29 2.214 -1.004 -2.730 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.706 -1.142 -2.801 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.573 0.254 -1.950 1.00 0.00 C ATOM 0 H LEU A 29 4.838 -3.833 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 29 4.759 -1.398 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.410 -3.113 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.436 -2.276 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 29 2.627 -0.918 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.282 -0.257 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.449 -2.026 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.302 -1.242 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.139 1.124 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.181 0.178 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.657 0.362 -1.913 1.00 0.00 H new ATOM 467 N THR A 30 5.078 -2.854 0.190 1.00 0.00 N ATOM 468 CA THR A 30 5.294 -3.666 1.341 1.00 0.00 C ATOM 469 C THR A 30 3.942 -4.033 1.972 1.00 0.00 C ATOM 470 O THR A 30 3.055 -3.183 2.085 1.00 0.00 O ATOM 471 CB THR A 30 6.204 -2.945 2.374 1.00 0.00 C ATOM 472 OG1 THR A 30 5.716 -1.655 2.694 1.00 0.00 O ATOM 473 CG2 THR A 30 7.573 -2.788 1.848 1.00 0.00 C ATOM 0 H THR A 30 5.266 -1.862 0.335 1.00 0.00 H new ATOM 0 HA THR A 30 5.806 -4.578 1.034 1.00 0.00 H new ATOM 0 HB THR A 30 6.206 -3.568 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.637 -1.567 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.191 -2.281 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.995 -3.770 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.545 -2.197 0.932 1.00 0.00 H new ATOM 481 N TYR A 31 3.789 -5.289 2.360 1.00 0.00 N ATOM 482 CA TYR A 31 2.541 -5.792 2.973 1.00 0.00 C ATOM 483 C TYR A 31 2.165 -4.974 4.187 1.00 0.00 C ATOM 484 O TYR A 31 0.997 -4.671 4.408 1.00 0.00 O ATOM 485 CB TYR A 31 2.638 -7.273 3.403 1.00 0.00 C ATOM 486 CG TYR A 31 2.830 -8.273 2.285 1.00 0.00 C ATOM 487 CD1 TYR A 31 1.922 -8.371 1.251 1.00 0.00 C ATOM 488 CD2 TYR A 31 3.912 -9.138 2.283 1.00 0.00 C ATOM 489 CE1 TYR A 31 2.091 -9.294 0.244 1.00 0.00 C ATOM 490 CE2 TYR A 31 4.093 -10.064 1.279 1.00 0.00 C ATOM 491 CZ TYR A 31 3.181 -10.136 0.258 1.00 0.00 C ATOM 492 OH TYR A 31 3.354 -11.057 -0.752 1.00 0.00 O ATOM 0 H TYR A 31 4.517 -5.998 2.265 1.00 0.00 H new ATOM 0 HA TYR A 31 1.778 -5.703 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.468 -7.375 4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.730 -7.534 3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.065 -7.713 1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.631 -9.085 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.369 -9.358 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.945 -10.727 1.296 1.00 0.00 H new ATOM 0 HH TYR A 31 4.173 -11.570 -0.590 1.00 0.00 H new ATOM 502 N GLU A 32 3.160 -4.577 4.946 1.00 0.00 N ATOM 503 CA GLU A 32 2.905 -3.849 6.159 1.00 0.00 C ATOM 504 C GLU A 32 2.485 -2.405 5.891 1.00 0.00 C ATOM 505 O GLU A 32 1.822 -1.805 6.708 1.00 0.00 O ATOM 506 CB GLU A 32 4.059 -3.983 7.140 1.00 0.00 C ATOM 507 CG GLU A 32 4.339 -5.439 7.482 1.00 0.00 C ATOM 508 CD GLU A 32 5.307 -5.620 8.603 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.866 -5.830 9.754 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.528 -5.588 8.367 1.00 0.00 O ATOM 0 H GLU A 32 4.145 -4.746 4.744 1.00 0.00 H new ATOM 0 HA GLU A 32 2.044 -4.306 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.954 -3.531 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.827 -3.433 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.400 -5.928 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.726 -5.943 6.596 1.00 0.00 H new ATOM 517 N GLU A 33 2.820 -1.889 4.719 1.00 0.00 N ATOM 518 CA GLU A 33 2.397 -0.566 4.276 1.00 0.00 C ATOM 519 C GLU A 33 0.945 -0.671 3.862 1.00 0.00 C ATOM 520 O GLU A 33 0.092 0.136 4.259 1.00 0.00 O ATOM 521 CB GLU A 33 3.276 -0.180 3.087 1.00 0.00 C ATOM 522 CG GLU A 33 2.825 0.946 2.189 1.00 0.00 C ATOM 523 CD GLU A 33 2.796 2.316 2.840 1.00 0.00 C ATOM 524 OE1 GLU A 33 2.052 2.524 3.806 1.00 0.00 O ATOM 525 OE2 GLU A 33 3.486 3.235 2.352 1.00 0.00 O ATOM 0 H GLU A 33 3.400 -2.381 4.039 1.00 0.00 H new ATOM 0 HA GLU A 33 2.495 0.189 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.261 0.080 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.402 -1.067 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.486 0.986 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.826 0.716 1.818 1.00 0.00 H new ATOM 532 N ILE A 34 0.671 -1.725 3.115 1.00 0.00 N ATOM 533 CA ILE A 34 -0.659 -2.027 2.645 1.00 0.00 C ATOM 534 C ILE A 34 -1.611 -2.183 3.817 1.00 0.00 C ATOM 535 O ILE A 34 -2.666 -1.544 3.857 1.00 0.00 O ATOM 536 CB ILE A 34 -0.686 -3.295 1.771 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.275 -3.131 0.597 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.100 -3.539 1.263 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.427 -4.361 -0.258 1.00 0.00 C ATOM 0 H ILE A 34 1.376 -2.399 2.817 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.983 -1.190 2.026 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.373 -4.152 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.072 -2.309 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.255 -2.847 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.115 -4.437 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.773 -3.670 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.426 -2.685 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.127 -4.157 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.806 -5.182 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.542 -4.635 -0.676 1.00 0.00 H new ATOM 551 N ALA A 35 -1.196 -2.956 4.831 1.00 0.00 N ATOM 552 CA ALA A 35 -1.968 -3.221 6.011 1.00 0.00 C ATOM 553 C ALA A 35 -2.126 -1.973 6.870 1.00 0.00 C ATOM 554 O ALA A 35 -3.156 -1.759 7.500 1.00 0.00 O ATOM 555 CB ALA A 35 -1.344 -4.354 6.808 1.00 0.00 C ATOM 0 H ALA A 35 -0.286 -3.418 4.834 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.966 -3.526 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.941 -4.543 7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.311 -5.255 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.331 -4.078 7.101 1.00 0.00 H new ATOM 561 N GLU A 36 -1.078 -1.143 6.866 1.00 0.00 N ATOM 562 CA GLU A 36 -0.964 0.027 7.736 1.00 0.00 C ATOM 563 C GLU A 36 -2.035 1.045 7.455 1.00 0.00 C ATOM 564 O GLU A 36 -2.671 1.560 8.368 1.00 0.00 O ATOM 565 CB GLU A 36 0.420 0.657 7.613 1.00 0.00 C ATOM 566 CG GLU A 36 0.716 1.747 8.622 1.00 0.00 C ATOM 567 CD GLU A 36 2.136 2.225 8.530 1.00 0.00 C ATOM 568 OE1 GLU A 36 3.032 1.569 9.097 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.392 3.265 7.898 1.00 0.00 O ATOM 0 H GLU A 36 -0.275 -1.269 6.249 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.103 -0.317 8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.170 -0.127 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.527 1.071 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.039 2.586 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.523 1.373 9.627 1.00 0.00 H new ATOM 576 N ARG A 37 -2.290 1.310 6.187 1.00 0.00 N ATOM 577 CA ARG A 37 -3.293 2.285 5.824 1.00 0.00 C ATOM 578 C ARG A 37 -4.671 1.709 6.151 1.00 0.00 C ATOM 579 O ARG A 37 -5.617 2.436 6.482 1.00 0.00 O ATOM 580 CB ARG A 37 -3.212 2.580 4.326 1.00 0.00 C ATOM 581 CG ARG A 37 -1.831 2.912 3.789 1.00 0.00 C ATOM 582 CD ARG A 37 -1.261 4.195 4.353 1.00 0.00 C ATOM 583 NE ARG A 37 0.115 4.388 3.875 1.00 0.00 N ATOM 584 CZ ARG A 37 0.652 5.540 3.457 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.084 6.653 3.392 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.917 5.558 3.054 1.00 0.00 N ATOM 0 H ARG A 37 -1.819 0.866 5.399 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.127 3.209 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.593 1.715 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.877 3.414 4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.153 2.090 4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.881 2.991 2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.881 5.040 4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.275 4.160 5.442 1.00 0.00 H new ATOM 0 HE ARG A 37 0.718 3.566 3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.067 6.631 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.337 7.525 3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.468 4.700 3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.338 6.430 2.733 1.00 0.00 H new ATOM 600 N MET A 38 -4.743 0.384 6.131 1.00 0.00 N ATOM 601 CA MET A 38 -5.972 -0.343 6.377 1.00 0.00 C ATOM 602 C MET A 38 -6.221 -0.517 7.853 1.00 0.00 C ATOM 603 O MET A 38 -7.262 -1.019 8.245 1.00 0.00 O ATOM 604 CB MET A 38 -5.952 -1.718 5.718 1.00 0.00 C ATOM 605 CG MET A 38 -5.769 -1.689 4.226 1.00 0.00 C ATOM 606 SD MET A 38 -7.023 -0.716 3.394 1.00 0.00 S ATOM 607 CE MET A 38 -6.535 -0.961 1.698 1.00 0.00 C ATOM 0 H MET A 38 -3.941 -0.217 5.942 1.00 0.00 H new ATOM 0 HA MET A 38 -6.775 0.252 5.941 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.148 -2.307 6.159 1.00 0.00 H new ATOM 0 HB3 MET A 38 -6.886 -2.231 5.947 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.785 -1.282 3.993 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.792 -2.709 3.841 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.743 -0.057 1.125 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.468 -1.180 1.654 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.094 -1.796 1.275 1.00 0.00 H new ATOM 617 N SER A 39 -5.287 -0.066 8.677 1.00 0.00 N ATOM 618 CA SER A 39 -5.432 -0.172 10.115 1.00 0.00 C ATOM 619 C SER A 39 -6.445 0.862 10.620 1.00 0.00 C ATOM 620 O SER A 39 -6.858 0.842 11.776 1.00 0.00 O ATOM 621 CB SER A 39 -4.075 -0.006 10.778 1.00 0.00 C ATOM 622 OG SER A 39 -3.150 -0.950 10.233 1.00 0.00 O ATOM 0 H SER A 39 -4.421 0.377 8.371 1.00 0.00 H new ATOM 0 HA SER A 39 -5.815 -1.159 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.707 1.008 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.166 -0.152 11.854 1.00 0.00 H new ATOM 0 HG SER A 39 -3.377 -1.126 9.296 1.00 0.00 H new ATOM 628 N SER A 40 -6.850 1.749 9.722 1.00 0.00 N ATOM 629 CA SER A 40 -7.884 2.720 9.987 1.00 0.00 C ATOM 630 C SER A 40 -9.246 1.993 9.952 1.00 0.00 C ATOM 631 O SER A 40 -10.255 2.465 10.482 1.00 0.00 O ATOM 632 CB SER A 40 -7.824 3.782 8.893 1.00 0.00 C ATOM 633 OG SER A 40 -6.465 4.177 8.658 1.00 0.00 O ATOM 0 H SER A 40 -6.461 1.809 8.781 1.00 0.00 H new ATOM 0 HA SER A 40 -7.751 3.192 10.960 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.261 3.392 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.417 4.649 9.185 1.00 0.00 H new ATOM 0 HG SER A 40 -6.088 3.637 7.932 1.00 0.00 H new ATOM 639 N PHE A 41 -9.238 0.848 9.292 1.00 0.00 N ATOM 640 CA PHE A 41 -10.384 -0.029 9.149 1.00 0.00 C ATOM 641 C PHE A 41 -10.067 -1.328 9.883 1.00 0.00 C ATOM 642 O PHE A 41 -9.150 -1.377 10.707 1.00 0.00 O ATOM 643 CB PHE A 41 -10.565 -0.339 7.653 1.00 0.00 C ATOM 644 CG PHE A 41 -10.449 0.865 6.812 1.00 0.00 C ATOM 645 CD1 PHE A 41 -11.332 1.920 6.948 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.418 0.962 5.916 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.168 3.050 6.202 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.256 2.076 5.165 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.125 3.125 5.312 1.00 0.00 C ATOM 0 H PHE A 41 -8.404 0.492 8.825 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.287 0.431 9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.817 -1.069 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.542 -0.796 7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.153 1.849 7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.726 0.140 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.852 3.878 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.446 2.138 4.453 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.988 4.019 4.722 1.00 0.00 H new ATOM 659 N GLU A 42 -10.802 -2.353 9.595 1.00 0.00 N ATOM 660 CA GLU A 42 -10.537 -3.650 10.138 1.00 0.00 C ATOM 661 C GLU A 42 -10.517 -4.647 8.996 1.00 0.00 C ATOM 662 O GLU A 42 -11.512 -5.294 8.661 1.00 0.00 O ATOM 663 CB GLU A 42 -11.531 -4.008 11.260 1.00 0.00 C ATOM 664 CG GLU A 42 -12.995 -3.921 10.869 1.00 0.00 C ATOM 665 CD GLU A 42 -13.919 -4.161 12.018 1.00 0.00 C ATOM 666 OE1 GLU A 42 -14.355 -5.310 12.223 1.00 0.00 O ATOM 667 OE2 GLU A 42 -14.255 -3.185 12.732 1.00 0.00 O ATOM 0 H GLU A 42 -11.609 -2.316 8.972 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.560 -3.670 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.321 -5.022 11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.356 -3.344 12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.195 -2.936 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.201 -4.650 10.086 1.00 0.00 H new ATOM 674 N ILE A 43 -9.409 -4.685 8.323 1.00 0.00 N ATOM 675 CA ILE A 43 -9.301 -5.488 7.158 1.00 0.00 C ATOM 676 C ILE A 43 -8.563 -6.750 7.462 1.00 0.00 C ATOM 677 O ILE A 43 -7.394 -6.738 7.835 1.00 0.00 O ATOM 678 CB ILE A 43 -8.609 -4.737 6.013 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.265 -3.379 5.795 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.641 -5.552 4.725 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.722 -3.463 5.378 1.00 0.00 C ATOM 0 H ILE A 43 -8.566 -4.165 8.567 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.313 -5.733 6.834 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.567 -4.583 6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.193 -2.799 6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.709 -2.836 5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.144 -4.996 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.126 -6.500 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.676 -5.743 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.120 -2.457 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.801 -4.015 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.293 -3.977 6.151 1.00 0.00 H new ATOM 693 N GLU A 44 -9.266 -7.813 7.295 1.00 0.00 N ATOM 694 CA GLU A 44 -8.761 -9.145 7.493 1.00 0.00 C ATOM 695 C GLU A 44 -7.805 -9.488 6.377 1.00 0.00 C ATOM 696 O GLU A 44 -7.903 -8.939 5.263 1.00 0.00 O ATOM 697 CB GLU A 44 -9.928 -10.118 7.515 1.00 0.00 C ATOM 698 CG GLU A 44 -10.966 -9.752 8.541 1.00 0.00 C ATOM 699 CD GLU A 44 -12.168 -10.646 8.516 1.00 0.00 C ATOM 700 OE1 GLU A 44 -13.089 -10.390 7.716 1.00 0.00 O ATOM 701 OE2 GLU A 44 -12.214 -11.610 9.304 1.00 0.00 O ATOM 0 H GLU A 44 -10.244 -7.790 7.007 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.227 -9.209 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.391 -10.147 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.556 -11.122 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.515 -9.789 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.284 -8.723 8.374 1.00 0.00 H new ATOM 708 N SER A 45 -6.922 -10.388 6.654 1.00 0.00 N ATOM 709 CA SER A 45 -5.902 -10.802 5.731 1.00 0.00 C ATOM 710 C SER A 45 -6.502 -11.386 4.436 1.00 0.00 C ATOM 711 O SER A 45 -5.939 -11.217 3.359 1.00 0.00 O ATOM 712 CB SER A 45 -4.986 -11.778 6.438 1.00 0.00 C ATOM 713 OG SER A 45 -4.440 -11.167 7.608 1.00 0.00 O ATOM 0 H SER A 45 -6.883 -10.873 7.551 1.00 0.00 H new ATOM 0 HA SER A 45 -5.321 -9.936 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.538 -12.678 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.183 -12.087 5.769 1.00 0.00 H new ATOM 0 HG SER A 45 -3.849 -11.802 8.064 1.00 0.00 H new ATOM 719 N ASP A 46 -7.683 -12.002 4.536 1.00 0.00 N ATOM 720 CA ASP A 46 -8.369 -12.529 3.345 1.00 0.00 C ATOM 721 C ASP A 46 -8.870 -11.391 2.480 1.00 0.00 C ATOM 722 O ASP A 46 -8.853 -11.470 1.249 1.00 0.00 O ATOM 723 CB ASP A 46 -9.540 -13.452 3.698 1.00 0.00 C ATOM 724 CG ASP A 46 -9.114 -14.732 4.362 1.00 0.00 C ATOM 725 OD1 ASP A 46 -9.343 -14.884 5.572 1.00 0.00 O ATOM 726 OD2 ASP A 46 -8.517 -15.599 3.694 1.00 0.00 O ATOM 0 H ASP A 46 -8.181 -12.149 5.414 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.635 -13.121 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.226 -12.920 4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.092 -13.690 2.789 1.00 0.00 H new ATOM 731 N GLN A 47 -9.282 -10.307 3.129 1.00 0.00 N ATOM 732 CA GLN A 47 -9.773 -9.137 2.420 1.00 0.00 C ATOM 733 C GLN A 47 -8.597 -8.386 1.804 1.00 0.00 C ATOM 734 O GLN A 47 -8.725 -7.707 0.782 1.00 0.00 O ATOM 735 CB GLN A 47 -10.551 -8.234 3.348 1.00 0.00 C ATOM 736 CG GLN A 47 -11.651 -8.947 4.109 1.00 0.00 C ATOM 737 CD GLN A 47 -12.589 -7.993 4.801 1.00 0.00 C ATOM 738 OE1 GLN A 47 -13.751 -8.296 5.010 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.107 -6.824 5.126 1.00 0.00 N ATOM 0 H GLN A 47 -9.285 -10.217 4.145 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.447 -9.461 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.863 -7.780 4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.990 -7.422 2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.218 -9.572 3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.204 -9.612 4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.129 -6.605 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.708 -6.130 5.570 1.00 0.00 H new ATOM 748 N MET A 48 -7.451 -8.500 2.453 1.00 0.00 N ATOM 749 CA MET A 48 -6.208 -7.966 1.918 1.00 0.00 C ATOM 750 C MET A 48 -5.759 -8.772 0.708 1.00 0.00 C ATOM 751 O MET A 48 -5.303 -8.221 -0.265 1.00 0.00 O ATOM 752 CB MET A 48 -5.079 -7.962 2.964 1.00 0.00 C ATOM 753 CG MET A 48 -5.189 -6.930 4.083 1.00 0.00 C ATOM 754 SD MET A 48 -4.642 -5.237 3.644 1.00 0.00 S ATOM 755 CE MET A 48 -5.683 -4.774 2.261 1.00 0.00 C ATOM 0 H MET A 48 -7.355 -8.961 3.358 1.00 0.00 H new ATOM 0 HA MET A 48 -6.409 -6.935 1.627 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.031 -8.952 3.417 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.134 -7.802 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.227 -6.885 4.412 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.600 -7.275 4.933 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.688 -3.689 2.157 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.296 -5.225 1.347 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.699 -5.126 2.437 1.00 0.00 H new ATOM 765 N ASP A 49 -5.913 -10.083 0.789 1.00 0.00 N ATOM 766 CA ASP A 49 -5.495 -11.027 -0.272 1.00 0.00 C ATOM 767 C ASP A 49 -6.161 -10.740 -1.600 1.00 0.00 C ATOM 768 O ASP A 49 -5.499 -10.760 -2.649 1.00 0.00 O ATOM 769 CB ASP A 49 -5.769 -12.468 0.153 1.00 0.00 C ATOM 770 CG ASP A 49 -5.365 -13.489 -0.883 1.00 0.00 C ATOM 771 OD1 ASP A 49 -4.174 -13.875 -0.923 1.00 0.00 O ATOM 772 OD2 ASP A 49 -6.235 -13.953 -1.651 1.00 0.00 O ATOM 0 H ASP A 49 -6.335 -10.542 1.596 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.423 -10.889 -0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.235 -12.673 1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.832 -12.580 0.366 1.00 0.00 H new ATOM 777 N GLU A 50 -7.447 -10.450 -1.572 1.00 0.00 N ATOM 778 CA GLU A 50 -8.148 -10.123 -2.795 1.00 0.00 C ATOM 779 C GLU A 50 -7.640 -8.785 -3.365 1.00 0.00 C ATOM 780 O GLU A 50 -7.544 -8.605 -4.593 1.00 0.00 O ATOM 781 CB GLU A 50 -9.669 -10.135 -2.605 1.00 0.00 C ATOM 782 CG GLU A 50 -10.168 -9.222 -1.511 1.00 0.00 C ATOM 783 CD GLU A 50 -11.659 -9.257 -1.349 1.00 0.00 C ATOM 784 OE1 GLU A 50 -12.184 -10.203 -0.729 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.337 -8.310 -1.802 1.00 0.00 O ATOM 0 H GLU A 50 -8.020 -10.434 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.930 -10.900 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.143 -9.849 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.987 -11.154 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.699 -9.505 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.856 -8.200 -1.728 1.00 0.00 H new ATOM 792 N TYR A 51 -7.265 -7.872 -2.468 1.00 0.00 N ATOM 793 CA TYR A 51 -6.676 -6.605 -2.867 1.00 0.00 C ATOM 794 C TYR A 51 -5.276 -6.860 -3.435 1.00 0.00 C ATOM 795 O TYR A 51 -4.871 -6.200 -4.385 1.00 0.00 O ATOM 796 CB TYR A 51 -6.649 -5.617 -1.704 1.00 0.00 C ATOM 797 CG TYR A 51 -6.023 -4.284 -2.054 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.425 -3.570 -3.182 1.00 0.00 C ATOM 799 CD2 TYR A 51 -5.031 -3.741 -1.259 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.840 -2.371 -3.498 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.453 -2.536 -1.574 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.863 -1.862 -2.693 1.00 0.00 C ATOM 803 OH TYR A 51 -4.268 -0.689 -3.022 1.00 0.00 O ATOM 0 H TYR A 51 -7.361 -7.992 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.290 -6.149 -3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.669 -5.450 -1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.098 -6.061 -0.874 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.206 -3.966 -3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.706 -4.273 -0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.151 -1.832 -4.380 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.680 -2.123 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.927 0.035 -2.980 1.00 0.00 H new ATOM 813 N TYR A 52 -4.540 -7.812 -2.865 1.00 0.00 N ATOM 814 CA TYR A 52 -3.191 -8.144 -3.339 1.00 0.00 C ATOM 815 C TYR A 52 -3.228 -8.589 -4.784 1.00 0.00 C ATOM 816 O TYR A 52 -2.403 -8.172 -5.598 1.00 0.00 O ATOM 817 CB TYR A 52 -2.500 -9.224 -2.475 1.00 0.00 C ATOM 818 CG TYR A 52 -2.198 -8.811 -1.046 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.824 -7.517 -0.736 1.00 0.00 C ATOM 820 CD2 TYR A 52 -2.277 -9.726 -0.007 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.549 -7.150 0.558 1.00 0.00 C ATOM 822 CE2 TYR A 52 -2.001 -9.359 1.294 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.640 -8.071 1.569 1.00 0.00 C ATOM 824 OH TYR A 52 -1.362 -7.700 2.862 1.00 0.00 O ATOM 0 H TYR A 52 -4.853 -8.371 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.600 -7.232 -3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.134 -10.110 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.566 -9.511 -2.959 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.747 -6.783 -1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.560 -10.746 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.260 -6.133 0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.070 -10.086 2.090 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.475 -8.472 3.455 1.00 0.00 H new ATOM 834 N GLU A 53 -4.240 -9.398 -5.108 1.00 0.00 N ATOM 835 CA GLU A 53 -4.442 -9.896 -6.454 1.00 0.00 C ATOM 836 C GLU A 53 -4.707 -8.715 -7.382 1.00 0.00 C ATOM 837 O GLU A 53 -4.135 -8.627 -8.476 1.00 0.00 O ATOM 838 CB GLU A 53 -5.646 -10.853 -6.477 1.00 0.00 C ATOM 839 CG GLU A 53 -5.723 -11.725 -7.715 1.00 0.00 C ATOM 840 CD GLU A 53 -4.580 -12.715 -7.776 1.00 0.00 C ATOM 841 OE1 GLU A 53 -4.769 -13.884 -7.386 1.00 0.00 O ATOM 842 OE2 GLU A 53 -3.467 -12.342 -8.177 1.00 0.00 O ATOM 0 H GLU A 53 -4.938 -9.721 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.554 -10.435 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.603 -11.494 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.562 -10.268 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.671 -12.263 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.707 -11.096 -8.605 1.00 0.00 H new ATOM 849 N PHE A 54 -5.530 -7.792 -6.899 1.00 0.00 N ATOM 850 CA PHE A 54 -5.878 -6.581 -7.611 1.00 0.00 C ATOM 851 C PHE A 54 -4.622 -5.754 -7.913 1.00 0.00 C ATOM 852 O PHE A 54 -4.411 -5.314 -9.045 1.00 0.00 O ATOM 853 CB PHE A 54 -6.896 -5.766 -6.779 1.00 0.00 C ATOM 854 CG PHE A 54 -7.078 -4.359 -7.243 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.985 -4.034 -8.228 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.311 -3.360 -6.691 1.00 0.00 C ATOM 857 CE1 PHE A 54 -8.107 -2.724 -8.650 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.429 -2.072 -7.099 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.318 -1.746 -8.075 1.00 0.00 C ATOM 0 H PHE A 54 -5.979 -7.871 -5.986 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.337 -6.843 -8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.860 -6.274 -6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.572 -5.755 -5.738 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.601 -4.803 -8.670 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.600 -3.606 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.814 -2.466 -9.424 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.817 -1.305 -6.649 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.408 -0.720 -8.401 1.00 0.00 H new ATOM 869 N LEU A 55 -3.810 -5.544 -6.890 1.00 0.00 N ATOM 870 CA LEU A 55 -2.562 -4.803 -7.009 1.00 0.00 C ATOM 871 C LEU A 55 -1.640 -5.414 -8.053 1.00 0.00 C ATOM 872 O LEU A 55 -1.066 -4.709 -8.902 1.00 0.00 O ATOM 873 CB LEU A 55 -1.863 -4.722 -5.663 1.00 0.00 C ATOM 874 CG LEU A 55 -2.488 -3.788 -4.647 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.805 -3.955 -3.309 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.369 -2.344 -5.124 1.00 0.00 C ATOM 0 H LEU A 55 -3.998 -5.884 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.808 -3.794 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.827 -5.723 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.832 -4.409 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.544 -4.034 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.259 -3.281 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.918 -4.984 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.745 -3.720 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.821 -1.679 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.317 -2.087 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.884 -2.232 -6.078 1.00 0.00 H new ATOM 888 N GLY A 56 -1.544 -6.733 -7.990 1.00 0.00 N ATOM 889 CA GLY A 56 -0.732 -7.473 -8.933 1.00 0.00 C ATOM 890 C GLY A 56 -1.180 -7.237 -10.357 1.00 0.00 C ATOM 891 O GLY A 56 -0.344 -7.116 -11.267 1.00 0.00 O ATOM 0 H GLY A 56 -2.019 -7.309 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.312 -7.178 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.787 -8.537 -8.705 1.00 0.00 H new ATOM 895 N GLU A 57 -2.490 -7.158 -10.547 1.00 0.00 N ATOM 896 CA GLU A 57 -3.086 -6.895 -11.828 1.00 0.00 C ATOM 897 C GLU A 57 -2.736 -5.505 -12.357 1.00 0.00 C ATOM 898 O GLU A 57 -2.535 -5.326 -13.551 1.00 0.00 O ATOM 899 CB GLU A 57 -4.587 -7.074 -11.730 1.00 0.00 C ATOM 900 CG GLU A 57 -5.001 -8.506 -11.480 1.00 0.00 C ATOM 901 CD GLU A 57 -4.644 -9.409 -12.621 1.00 0.00 C ATOM 902 OE1 GLU A 57 -3.479 -9.824 -12.739 1.00 0.00 O ATOM 903 OE2 GLU A 57 -5.530 -9.741 -13.424 1.00 0.00 O ATOM 0 H GLU A 57 -3.170 -7.278 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.679 -7.609 -12.544 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.969 -6.446 -10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.049 -6.725 -12.653 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.521 -8.867 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.077 -8.546 -11.311 1.00 0.00 H new ATOM 910 N GLN A 58 -2.645 -4.520 -11.460 1.00 0.00 N ATOM 911 CA GLN A 58 -2.335 -3.140 -11.857 1.00 0.00 C ATOM 912 C GLN A 58 -0.859 -3.033 -12.169 1.00 0.00 C ATOM 913 O GLN A 58 -0.457 -2.285 -13.049 1.00 0.00 O ATOM 914 CB GLN A 58 -2.690 -2.163 -10.719 1.00 0.00 C ATOM 915 CG GLN A 58 -4.114 -2.295 -10.230 1.00 0.00 C ATOM 916 CD GLN A 58 -5.131 -2.012 -11.311 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.911 -1.187 -12.208 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.212 -2.712 -11.270 1.00 0.00 N ATOM 0 H GLN A 58 -2.781 -4.649 -10.457 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.922 -2.882 -12.738 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.011 -2.330 -9.883 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.526 -1.142 -11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.270 -3.303 -9.845 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.273 -1.608 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.357 -3.382 -10.515 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.922 -2.596 -11.993 1.00 0.00 H new ATOM 927 N GLY A 59 -0.067 -3.749 -11.438 1.00 0.00 N ATOM 928 CA GLY A 59 1.351 -3.778 -11.707 1.00 0.00 C ATOM 929 C GLY A 59 2.154 -3.542 -10.467 1.00 0.00 C ATOM 930 O GLY A 59 3.225 -2.937 -10.509 1.00 0.00 O ATOM 0 H GLY A 59 -0.368 -4.323 -10.650 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.620 -4.743 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.596 -3.019 -12.449 1.00 0.00 H new ATOM 934 N VAL A 60 1.648 -4.004 -9.359 1.00 0.00 N ATOM 935 CA VAL A 60 2.324 -3.838 -8.108 1.00 0.00 C ATOM 936 C VAL A 60 2.721 -5.186 -7.581 1.00 0.00 C ATOM 937 O VAL A 60 1.897 -6.092 -7.489 1.00 0.00 O ATOM 938 CB VAL A 60 1.429 -3.147 -7.057 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.218 -2.837 -5.805 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.784 -1.895 -7.618 1.00 0.00 C ATOM 0 H VAL A 60 0.761 -4.503 -9.299 1.00 0.00 H new ATOM 0 HA VAL A 60 3.197 -3.210 -8.283 1.00 0.00 H new ATOM 0 HB VAL A 60 0.628 -3.838 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.569 -2.350 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.608 -3.763 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.047 -2.174 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.161 -1.433 -6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.559 -1.194 -7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.168 -2.157 -8.478 1.00 0.00 H new ATOM 950 N GLU A 61 3.967 -5.317 -7.273 1.00 0.00 N ATOM 951 CA GLU A 61 4.487 -6.513 -6.684 1.00 0.00 C ATOM 952 C GLU A 61 4.497 -6.308 -5.194 1.00 0.00 C ATOM 953 O GLU A 61 4.737 -5.205 -4.737 1.00 0.00 O ATOM 954 CB GLU A 61 5.876 -6.756 -7.237 1.00 0.00 C ATOM 955 CG GLU A 61 5.831 -6.983 -8.730 1.00 0.00 C ATOM 956 CD GLU A 61 7.185 -7.083 -9.375 1.00 0.00 C ATOM 957 OE1 GLU A 61 7.650 -8.206 -9.640 1.00 0.00 O ATOM 958 OE2 GLU A 61 7.807 -6.032 -9.660 1.00 0.00 O ATOM 0 H GLU A 61 4.665 -4.589 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 61 3.882 -7.390 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.515 -5.901 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.320 -7.622 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.276 -7.899 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.278 -6.167 -9.195 1.00 0.00 H new ATOM 965 N LEU A 62 4.155 -7.287 -4.445 1.00 0.00 N ATOM 966 CA LEU A 62 4.103 -7.096 -3.032 1.00 0.00 C ATOM 967 C LEU A 62 5.307 -7.720 -2.302 1.00 0.00 C ATOM 968 O LEU A 62 5.583 -8.915 -2.440 1.00 0.00 O ATOM 969 CB LEU A 62 2.791 -7.636 -2.460 1.00 0.00 C ATOM 970 CG LEU A 62 1.458 -7.172 -3.098 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.448 -5.726 -3.532 1.00 0.00 C ATOM 972 CD2 LEU A 62 0.924 -8.122 -4.160 1.00 0.00 C ATOM 0 H LEU A 62 3.908 -8.221 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 62 4.151 -6.021 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.826 -8.724 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.760 -7.377 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 62 0.740 -7.220 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.479 -5.484 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.628 -5.086 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.230 -5.563 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.011 -7.731 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.653 -8.215 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.747 -9.102 -3.716 1.00 0.00 H new ATOM 984 N ILE A 63 6.026 -6.898 -1.550 1.00 0.00 N ATOM 985 CA ILE A 63 7.133 -7.359 -0.696 1.00 0.00 C ATOM 986 C ILE A 63 6.701 -7.264 0.764 1.00 0.00 C ATOM 987 O ILE A 63 5.597 -6.817 1.034 1.00 0.00 O ATOM 988 CB ILE A 63 8.431 -6.540 -0.888 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.179 -5.051 -0.681 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.022 -6.791 -2.234 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.414 -4.179 -0.826 1.00 0.00 C ATOM 0 H ILE A 63 5.865 -5.892 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 63 7.356 -8.387 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 63 9.146 -6.868 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.429 -4.719 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.758 -4.901 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.934 -6.204 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.257 -7.850 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.308 -6.502 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.144 -3.136 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.160 -4.480 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.825 -4.295 -1.829 1.00 0.00 H new ATOM 1003 N SER A 64 7.549 -7.650 1.690 1.00 0.00 N ATOM 1004 CA SER A 64 7.179 -7.647 3.084 1.00 0.00 C ATOM 1005 C SER A 64 7.230 -6.238 3.681 1.00 0.00 C ATOM 1006 O SER A 64 6.184 -5.607 3.861 1.00 0.00 O ATOM 1007 CB SER A 64 8.034 -8.632 3.874 1.00 0.00 C ATOM 1008 OG SER A 64 7.492 -8.920 5.159 1.00 0.00 O ATOM 0 H SER A 64 8.499 -7.970 1.502 1.00 0.00 H new ATOM 0 HA SER A 64 6.143 -7.979 3.155 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.130 -9.559 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.038 -8.224 3.990 1.00 0.00 H new ATOM 0 HG SER A 64 8.074 -9.556 5.625 1.00 0.00 H new ATOM 1014 N GLU A 65 8.448 -5.784 3.947 1.00 0.00 N ATOM 1015 CA GLU A 65 8.812 -4.451 4.503 1.00 0.00 C ATOM 1016 C GLU A 65 10.177 -4.548 5.159 1.00 0.00 C ATOM 1017 O GLU A 65 10.829 -3.545 5.466 1.00 0.00 O ATOM 1018 CB GLU A 65 7.806 -3.894 5.507 1.00 0.00 C ATOM 1019 CG GLU A 65 7.982 -2.393 5.740 1.00 0.00 C ATOM 1020 CD GLU A 65 6.739 -1.710 6.235 1.00 0.00 C ATOM 1021 OE1 GLU A 65 5.871 -1.364 5.396 1.00 0.00 O ATOM 1022 OE2 GLU A 65 6.620 -1.470 7.458 1.00 0.00 O ATOM 0 H GLU A 65 9.273 -6.359 3.776 1.00 0.00 H new ATOM 0 HA GLU A 65 8.817 -3.755 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.795 -4.087 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.914 -4.421 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.784 -2.238 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.297 -1.924 4.808 1.00 0.00 H new ATOM 1029 N ASN A 66 10.612 -5.770 5.357 1.00 0.00 N ATOM 1030 CA ASN A 66 11.916 -6.067 5.900 1.00 0.00 C ATOM 1031 C ASN A 66 12.938 -5.895 4.803 1.00 0.00 C ATOM 1032 O ASN A 66 14.141 -5.844 5.025 1.00 0.00 O ATOM 1033 CB ASN A 66 11.943 -7.489 6.445 1.00 0.00 C ATOM 1034 CG ASN A 66 11.057 -7.706 7.651 1.00 0.00 C ATOM 1035 OD1 ASN A 66 11.462 -7.454 8.784 1.00 0.00 O ATOM 1036 ND2 ASN A 66 9.879 -8.231 7.434 1.00 0.00 N ATOM 0 H ASN A 66 10.060 -6.600 5.141 1.00 0.00 H new ATOM 0 HA ASN A 66 12.146 -5.390 6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.637 -8.175 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.969 -7.745 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.263 -8.445 8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.576 -8.427 6.480 1.00 0.00 H new ATOM 1043 N GLU A 67 12.417 -5.860 3.638 1.00 0.00 N ATOM 1044 CA GLU A 67 13.080 -5.591 2.433 1.00 0.00 C ATOM 1045 C GLU A 67 12.453 -4.330 1.868 1.00 0.00 C ATOM 1046 O GLU A 67 11.283 -4.031 2.153 1.00 0.00 O ATOM 1047 CB GLU A 67 12.875 -6.753 1.439 1.00 0.00 C ATOM 1048 CG GLU A 67 11.425 -6.997 1.043 1.00 0.00 C ATOM 1049 CD GLU A 67 10.715 -7.834 2.019 1.00 0.00 C ATOM 1050 OE1 GLU A 67 10.482 -9.020 1.752 1.00 0.00 O ATOM 1051 OE2 GLU A 67 10.371 -7.335 3.069 1.00 0.00 O ATOM 0 H GLU A 67 11.422 -6.036 3.496 1.00 0.00 H new ATOM 0 HA GLU A 67 14.151 -5.471 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.455 -6.551 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.277 -7.666 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.911 -6.041 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.393 -7.477 0.065 1.00 0.00 H new ATOM 1058 N GLU A 68 13.208 -3.635 1.095 1.00 0.00 N ATOM 1059 CA GLU A 68 12.806 -2.407 0.449 1.00 0.00 C ATOM 1060 C GLU A 68 13.998 -1.978 -0.383 1.00 0.00 C ATOM 1061 O GLU A 68 15.131 -2.149 0.063 1.00 0.00 O ATOM 1062 CB GLU A 68 12.478 -1.317 1.488 1.00 0.00 C ATOM 1063 CG GLU A 68 11.956 -0.008 0.916 1.00 0.00 C ATOM 1064 CD GLU A 68 10.649 -0.170 0.183 1.00 0.00 C ATOM 1065 OE1 GLU A 68 9.573 -0.041 0.813 1.00 0.00 O ATOM 1066 OE2 GLU A 68 10.679 -0.402 -1.053 1.00 0.00 O ATOM 0 H GLU A 68 14.167 -3.906 0.877 1.00 0.00 H new ATOM 0 HA GLU A 68 11.910 -2.555 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.737 -1.712 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.378 -1.108 2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.827 0.711 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.699 0.408 0.236 1.00 0.00 H new ATOM 1073 N THR A 69 13.785 -1.442 -1.557 1.00 0.00 N ATOM 1074 CA THR A 69 14.924 -1.118 -2.407 1.00 0.00 C ATOM 1075 C THR A 69 15.068 0.351 -2.728 1.00 0.00 C ATOM 1076 O THR A 69 16.069 0.779 -3.302 1.00 0.00 O ATOM 1077 CB THR A 69 15.023 -2.005 -3.666 1.00 0.00 C ATOM 1078 OG1 THR A 69 13.735 -2.109 -4.287 1.00 0.00 O ATOM 1079 CG2 THR A 69 15.534 -3.396 -3.322 1.00 0.00 C ATOM 0 H THR A 69 12.868 -1.222 -1.946 1.00 0.00 H new ATOM 0 HA THR A 69 15.788 -1.362 -1.789 1.00 0.00 H new ATOM 0 HB THR A 69 15.730 -1.540 -4.353 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.802 -2.671 -5.087 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.593 -3.997 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.524 -3.319 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.852 -3.870 -2.616 1.00 0.00 H new ATOM 1087 N GLU A 70 14.111 1.122 -2.324 1.00 0.00 N ATOM 1088 CA GLU A 70 14.183 2.556 -2.527 1.00 0.00 C ATOM 1089 C GLU A 70 14.885 3.207 -1.347 1.00 0.00 C ATOM 1090 O GLU A 70 15.254 4.383 -1.383 1.00 0.00 O ATOM 1091 CB GLU A 70 12.801 3.133 -2.688 1.00 0.00 C ATOM 1092 CG GLU A 70 11.890 2.769 -1.549 1.00 0.00 C ATOM 1093 CD GLU A 70 10.555 3.441 -1.657 1.00 0.00 C ATOM 1094 OE1 GLU A 70 9.813 3.155 -2.618 1.00 0.00 O ATOM 1095 OE2 GLU A 70 10.220 4.260 -0.781 1.00 0.00 O ATOM 0 H GLU A 70 13.267 0.797 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 70 14.750 2.755 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.870 4.218 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.369 2.777 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.751 1.688 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.360 3.048 -0.606 1.00 0.00 H new ATOM 1102 N ASP A 71 15.063 2.426 -0.314 1.00 0.00 N ATOM 1103 CA ASP A 71 15.670 2.880 0.902 1.00 0.00 C ATOM 1104 C ASP A 71 16.839 1.980 1.218 1.00 0.00 C ATOM 1105 O ASP A 71 16.678 0.925 1.823 1.00 0.00 O ATOM 1106 CB ASP A 71 14.645 2.852 2.036 1.00 0.00 C ATOM 1107 CG ASP A 71 15.163 3.423 3.330 1.00 0.00 C ATOM 1108 OD1 ASP A 71 15.103 4.651 3.510 1.00 0.00 O ATOM 1109 OD2 ASP A 71 15.596 2.659 4.207 1.00 0.00 O ATOM 0 H ASP A 71 14.786 1.445 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 71 16.021 3.906 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.761 3.411 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.329 1.822 2.203 1.00 0.00 H new ATOM 1114 N LEU A 72 17.983 2.347 0.701 1.00 0.00 N ATOM 1115 CA LEU A 72 19.210 1.587 0.870 1.00 0.00 C ATOM 1116 C LEU A 72 20.391 2.521 1.106 1.00 0.00 C ATOM 1117 O LEU A 72 21.060 2.444 2.128 1.00 0.00 O ATOM 1118 CB LEU A 72 19.488 0.717 -0.374 1.00 0.00 C ATOM 1119 CG LEU A 72 18.524 -0.446 -0.651 1.00 0.00 C ATOM 1120 CD1 LEU A 72 18.868 -1.107 -1.973 1.00 0.00 C ATOM 1121 CD2 LEU A 72 18.585 -1.474 0.469 1.00 0.00 C ATOM 0 H LEU A 72 18.098 3.192 0.142 1.00 0.00 H new ATOM 0 HA LEU A 72 19.085 0.940 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.490 1.369 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 72 20.493 0.307 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 72 17.512 -0.045 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.178 -1.930 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.786 -0.376 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.888 -1.490 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.894 -2.289 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.598 -1.868 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.306 -1.002 1.411 1.00 0.00 H new ATOM 1133 N GLU A 73 20.629 3.412 0.168 1.00 0.00 N ATOM 1134 CA GLU A 73 21.754 4.321 0.244 1.00 0.00 C ATOM 1135 C GLU A 73 21.410 5.625 0.935 1.00 0.00 C ATOM 1136 O GLU A 73 21.036 6.611 0.264 1.00 0.00 O ATOM 1137 CB GLU A 73 22.352 4.594 -1.139 1.00 0.00 C ATOM 1138 CG GLU A 73 23.110 3.424 -1.730 1.00 0.00 C ATOM 1139 CD GLU A 73 24.312 3.067 -0.896 1.00 0.00 C ATOM 1140 OE1 GLU A 73 24.250 2.080 -0.120 1.00 0.00 O ATOM 1141 OE2 GLU A 73 25.331 3.775 -0.967 1.00 0.00 O ATOM 0 H GLU A 73 20.052 3.527 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 73 22.504 3.818 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.549 4.874 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 73 23.024 5.450 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.448 2.561 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.429 3.670 -2.743 1.00 0.00 H new ATOM 1148 N HIS A 74 21.483 5.603 2.263 1.00 0.00 N ATOM 1149 CA HIS A 74 21.295 6.771 3.111 1.00 0.00 C ATOM 1150 C HIS A 74 21.446 6.351 4.556 1.00 0.00 C ATOM 1151 O HIS A 74 20.584 5.668 5.097 1.00 0.00 O ATOM 1152 CB HIS A 74 19.919 7.422 2.920 1.00 0.00 C ATOM 1153 CG HIS A 74 19.993 8.897 2.655 1.00 0.00 C ATOM 1154 ND1 HIS A 74 19.841 9.884 3.609 1.00 0.00 N ATOM 1155 CD2 HIS A 74 20.201 9.541 1.491 1.00 0.00 C ATOM 1156 CE1 HIS A 74 19.956 11.064 3.001 1.00 0.00 C ATOM 1157 NE2 HIS A 74 20.177 10.911 1.708 1.00 0.00 N ATOM 0 H HIS A 74 21.679 4.752 2.789 1.00 0.00 H new ATOM 0 HA HIS A 74 22.047 7.509 2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.407 6.936 2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 74 19.316 7.250 3.812 1.00 0.00 H new ATOM 0 HD1 HIS A 74 19.671 9.736 4.604 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.362 9.064 0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 74 19.879 12.019 3.499 1.00 0.00 H new ATOM 1165 N HIS A 75 22.548 6.706 5.160 1.00 0.00 N ATOM 1166 CA HIS A 75 22.777 6.383 6.558 1.00 0.00 C ATOM 1167 C HIS A 75 22.033 7.352 7.428 1.00 0.00 C ATOM 1168 O HIS A 75 21.433 6.973 8.435 1.00 0.00 O ATOM 1169 CB HIS A 75 24.266 6.393 6.913 1.00 0.00 C ATOM 1170 CG HIS A 75 25.058 5.318 6.248 1.00 0.00 C ATOM 1171 ND1 HIS A 75 25.979 5.544 5.259 1.00 0.00 N ATOM 1172 CD2 HIS A 75 25.065 3.983 6.467 1.00 0.00 C ATOM 1173 CE1 HIS A 75 26.506 4.372 4.908 1.00 0.00 C ATOM 1174 NE2 HIS A 75 25.985 3.380 5.616 1.00 0.00 N ATOM 0 H HIS A 75 23.307 7.220 4.712 1.00 0.00 H new ATOM 0 HA HIS A 75 22.408 5.372 6.732 1.00 0.00 H new ATOM 0 HB2 HIS A 75 24.687 7.361 6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 75 24.372 6.292 7.993 1.00 0.00 H new ATOM 0 HD2 HIS A 75 24.452 3.466 7.190 1.00 0.00 H new ATOM 0 HE1 HIS A 75 27.260 4.246 4.145 1.00 0.00 H new ATOM 0 HE2 HIS A 75 26.210 2.387 5.551 1.00 0.00 H new ATOM 1182 N HIS A 76 22.076 8.597 7.047 1.00 0.00 N ATOM 1183 CA HIS A 76 21.384 9.631 7.747 1.00 0.00 C ATOM 1184 C HIS A 76 20.735 10.539 6.732 1.00 0.00 C ATOM 1185 O HIS A 76 21.359 11.517 6.295 1.00 0.00 O ATOM 1186 CB HIS A 76 22.318 10.420 8.690 1.00 0.00 C ATOM 1187 CG HIS A 76 22.908 9.613 9.820 1.00 0.00 C ATOM 1188 ND1 HIS A 76 22.330 9.487 11.062 1.00 0.00 N ATOM 1189 CD2 HIS A 76 24.044 8.878 9.867 1.00 0.00 C ATOM 1190 CE1 HIS A 76 23.107 8.694 11.807 1.00 0.00 C ATOM 1191 NE2 HIS A 76 24.164 8.295 11.126 1.00 0.00 N ATOM 1192 OXT HIS A 76 19.603 10.238 6.309 1.00 0.00 O ATOM 0 H HIS A 76 22.599 8.922 6.233 1.00 0.00 H new ATOM 0 HA HIS A 76 20.623 9.182 8.385 1.00 0.00 H new ATOM 0 HB2 HIS A 76 23.132 10.843 8.101 1.00 0.00 H new ATOM 0 HB3 HIS A 76 21.762 11.257 9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 76 24.747 8.762 9.055 1.00 0.00 H new ATOM 0 HE1 HIS A 76 22.897 8.417 12.830 1.00 0.00 H new ATOM 0 HE2 HIS A 76 24.914 7.686 11.454 1.00 0.00 H new TER 1200 HIS A 76