USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 713 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 51 ASN :FLIP amide:sc= -2.07 F(o=-4.5,f=-3.3) USER MOD Set 1.2: A 52 HIS : no HE2:sc= -0.763 K(o=-3.3,f=-7.4!) USER MOD Set 1.3: A 78 HIS : no HE2:sc= -0.421 K(o=-3.3,f=-5) USER MOD Set 2.1: A 58 SER OG : rot 180:sc=-0.00973 USER MOD Set 2.2: A 60 ASN : amide:sc= 0 X(o=-0.0097,f=-0.0097) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0123) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 13 LYS NZ :NH3+ -112:sc= -2.2! (180deg=-5.92!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= -0.452 (180deg=-1.55!) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.299) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0.507 (180deg=0.462) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= -0.159 (180deg=-0.614) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.341 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 53:sc= 0.172 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 50 SER OG : rot 45:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -54:sc= 0.473 USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= -0.264 (180deg=-1.27) USER MOD Single : A 75 LYS NZ :NH3+ -141:sc= 0.798 (180deg=-0.181) USER MOD Single : A 77 ASN : amide:sc= -3.33 X(o=-3.3,f=-3.7!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -0.0157 (180deg=-0.213) USER MOD Single : A 87 HIS : no HD1:sc= -1.96 K(o=-2,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -11.738 16.764 -4.666 1.00 0.00 N ATOM 23 CA PHE A 2 -12.707 15.788 -5.155 1.00 0.00 C ATOM 24 C PHE A 2 -12.127 14.378 -5.118 1.00 0.00 C ATOM 25 O PHE A 2 -12.405 13.558 -5.994 1.00 0.00 O ATOM 26 CB PHE A 2 -13.138 16.137 -6.581 1.00 0.00 C ATOM 27 CG PHE A 2 -14.462 15.544 -6.969 1.00 0.00 C ATOM 28 CD1 PHE A 2 -15.612 15.862 -6.263 1.00 0.00 C ATOM 29 CD2 PHE A 2 -14.557 14.669 -8.040 1.00 0.00 C ATOM 30 CE1 PHE A 2 -16.832 15.318 -6.619 1.00 0.00 C ATOM 31 CE2 PHE A 2 -15.774 14.122 -8.399 1.00 0.00 C ATOM 32 CZ PHE A 2 -16.913 14.447 -7.688 1.00 0.00 C ATOM 0 HA PHE A 2 -13.578 15.820 -4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -13.191 17.221 -6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -12.375 15.790 -7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -15.554 16.542 -5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -13.670 14.412 -8.600 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -17.721 15.574 -6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -15.835 13.441 -9.235 1.00 0.00 H new ATOM 0 HZ PHE A 2 -17.865 14.021 -7.968 1.00 0.00 H new ATOM 42 N ILE A 3 -11.321 14.102 -4.098 1.00 0.00 N ATOM 43 CA ILE A 3 -10.702 12.791 -3.945 1.00 0.00 C ATOM 44 C ILE A 3 -9.715 12.512 -5.076 1.00 0.00 C ATOM 45 O ILE A 3 -9.951 11.650 -5.923 1.00 0.00 O ATOM 46 CB ILE A 3 -11.759 11.670 -3.908 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.857 12.006 -2.897 1.00 0.00 C ATOM 48 CG2 ILE A 3 -11.108 10.337 -3.568 1.00 0.00 C ATOM 49 CD1 ILE A 3 -12.365 12.066 -1.468 1.00 0.00 C ATOM 0 H ILE A 3 -11.081 14.769 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.166 12.803 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.213 11.588 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -13.301 12.966 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -13.647 11.259 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.868 9.556 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.360 10.094 -4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.629 10.405 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.197 12.309 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.948 11.099 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.596 12.833 -1.380 1.00 0.00 H new ATOM 61 N ALA A 4 -8.606 13.245 -5.080 1.00 0.00 N ATOM 62 CA ALA A 4 -7.583 13.074 -6.104 1.00 0.00 C ATOM 63 C ALA A 4 -6.593 11.985 -5.706 1.00 0.00 C ATOM 64 O ALA A 4 -5.566 12.261 -5.086 1.00 0.00 O ATOM 65 CB ALA A 4 -6.854 14.387 -6.349 1.00 0.00 C ATOM 0 H ALA A 4 -8.394 13.962 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.074 12.768 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.093 14.243 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.566 15.142 -6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.380 14.718 -5.425 1.00 0.00 H new ATOM 71 N THR A 5 -6.911 10.745 -6.062 1.00 0.00 N ATOM 72 CA THR A 5 -6.051 9.613 -5.737 1.00 0.00 C ATOM 73 C THR A 5 -5.166 9.238 -6.921 1.00 0.00 C ATOM 74 O THR A 5 -5.403 9.670 -8.049 1.00 0.00 O ATOM 75 CB THR A 5 -6.895 8.408 -5.318 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.501 7.803 -6.446 1.00 0.00 O ATOM 77 CG2 THR A 5 -7.996 8.758 -4.340 1.00 0.00 C ATOM 0 H THR A 5 -7.757 10.498 -6.575 1.00 0.00 H new ATOM 0 HA THR A 5 -5.409 9.908 -4.907 1.00 0.00 H new ATOM 0 HB THR A 5 -6.199 7.726 -4.829 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.035 7.034 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.556 7.858 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.559 9.182 -3.436 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.668 9.487 -4.794 1.00 0.00 H new ATOM 85 N LEU A 6 -4.147 8.427 -6.654 1.00 0.00 N ATOM 86 CA LEU A 6 -3.225 7.985 -7.693 1.00 0.00 C ATOM 87 C LEU A 6 -2.568 6.666 -7.302 1.00 0.00 C ATOM 88 O LEU A 6 -2.719 6.199 -6.172 1.00 0.00 O ATOM 89 CB LEU A 6 -2.152 9.050 -7.948 1.00 0.00 C ATOM 90 CG LEU A 6 -1.638 9.780 -6.704 1.00 0.00 C ATOM 91 CD1 LEU A 6 -2.668 10.780 -6.203 1.00 0.00 C ATOM 92 CD2 LEU A 6 -1.280 8.785 -5.609 1.00 0.00 C ATOM 0 H LEU A 6 -3.939 8.062 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.794 7.833 -8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.306 8.576 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.556 9.789 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.736 10.328 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.282 11.287 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.872 11.514 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.589 10.256 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.917 9.323 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.164 8.207 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.502 8.111 -5.969 1.00 0.00 H new ATOM 104 N LYS A 7 -1.842 6.066 -8.240 1.00 0.00 N ATOM 105 CA LYS A 7 -1.170 4.798 -7.985 1.00 0.00 C ATOM 106 C LYS A 7 0.230 4.785 -8.590 1.00 0.00 C ATOM 107 O LYS A 7 0.449 5.292 -9.690 1.00 0.00 O ATOM 108 CB LYS A 7 -1.993 3.639 -8.551 1.00 0.00 C ATOM 109 CG LYS A 7 -2.163 3.690 -10.060 1.00 0.00 C ATOM 110 CD LYS A 7 -3.355 4.547 -10.458 1.00 0.00 C ATOM 111 CE LYS A 7 -4.642 3.735 -10.488 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.543 4.083 -9.355 1.00 0.00 N ATOM 0 H LYS A 7 -1.705 6.436 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.077 4.679 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.514 2.698 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.977 3.642 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.257 4.090 -10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.295 2.679 -10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.461 5.373 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.177 4.985 -11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.160 3.910 -11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.402 2.672 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.133 3.261 -9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.973 4.353 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.154 4.879 -9.629 1.00 0.00 H new ATOM 126 N GLY A 8 1.175 4.199 -7.861 1.00 0.00 N ATOM 127 CA GLY A 8 2.543 4.124 -8.340 1.00 0.00 C ATOM 128 C GLY A 8 2.904 2.735 -8.832 1.00 0.00 C ATOM 129 O GLY A 8 2.921 1.780 -8.056 1.00 0.00 O ATOM 0 H GLY A 8 1.017 3.775 -6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.683 4.841 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.223 4.411 -7.538 1.00 0.00 H new ATOM 133 N ILE A 9 3.189 2.623 -10.126 1.00 0.00 N ATOM 134 CA ILE A 9 3.544 1.341 -10.719 1.00 0.00 C ATOM 135 C ILE A 9 5.056 1.147 -10.765 1.00 0.00 C ATOM 136 O ILE A 9 5.756 1.804 -11.536 1.00 0.00 O ATOM 137 CB ILE A 9 2.978 1.204 -12.145 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.493 1.568 -12.167 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.190 -0.211 -12.666 1.00 0.00 C ATOM 140 CD1 ILE A 9 0.857 1.440 -13.533 1.00 0.00 C ATOM 0 H ILE A 9 3.181 3.404 -10.782 1.00 0.00 H new ATOM 0 HA ILE A 9 3.104 0.572 -10.084 1.00 0.00 H new ATOM 0 HB ILE A 9 3.511 1.895 -12.798 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.960 0.926 -11.466 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.374 2.593 -11.815 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.785 -0.292 -13.675 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.256 -0.436 -12.684 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.681 -0.919 -12.013 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.196 1.714 -13.471 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.364 2.103 -14.234 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.944 0.410 -13.880 1.00 0.00 H new ATOM 152 N PHE A 10 5.551 0.231 -9.939 1.00 0.00 N ATOM 153 CA PHE A 10 6.979 -0.067 -9.883 1.00 0.00 C ATOM 154 C PHE A 10 7.192 -1.558 -9.645 1.00 0.00 C ATOM 155 O PHE A 10 6.275 -2.260 -9.221 1.00 0.00 O ATOM 156 CB PHE A 10 7.673 0.743 -8.780 1.00 0.00 C ATOM 157 CG PHE A 10 6.739 1.560 -7.929 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.883 0.945 -7.030 1.00 0.00 C ATOM 159 CD2 PHE A 10 6.724 2.943 -8.025 1.00 0.00 C ATOM 160 CE1 PHE A 10 5.028 1.694 -6.244 1.00 0.00 C ATOM 161 CE2 PHE A 10 5.871 3.696 -7.241 1.00 0.00 C ATOM 162 CZ PHE A 10 5.022 3.070 -6.349 1.00 0.00 C ATOM 0 H PHE A 10 4.982 -0.320 -9.296 1.00 0.00 H new ATOM 0 HA PHE A 10 7.420 0.214 -10.839 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.226 0.059 -8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.403 1.409 -9.240 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.884 -0.131 -6.942 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.386 3.437 -8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.365 1.203 -5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.868 4.773 -7.325 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.355 3.656 -5.735 1.00 0.00 H new ATOM 172 N THR A 11 8.398 -2.042 -9.920 1.00 0.00 N ATOM 173 CA THR A 11 8.702 -3.456 -9.731 1.00 0.00 C ATOM 174 C THR A 11 10.184 -3.666 -9.430 1.00 0.00 C ATOM 175 O THR A 11 11.015 -2.801 -9.712 1.00 0.00 O ATOM 176 CB THR A 11 8.300 -4.258 -10.974 1.00 0.00 C ATOM 177 OG1 THR A 11 9.304 -4.181 -11.969 1.00 0.00 O ATOM 178 CG2 THR A 11 7.001 -3.794 -11.600 1.00 0.00 C ATOM 0 H THR A 11 9.175 -1.482 -10.271 1.00 0.00 H new ATOM 0 HA THR A 11 8.127 -3.811 -8.876 1.00 0.00 H new ATOM 0 HB THR A 11 8.168 -5.281 -10.621 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.028 -4.701 -12.753 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.779 -4.406 -12.474 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.193 -3.890 -10.875 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.095 -2.751 -11.902 1.00 0.00 H new ATOM 186 N LEU A 12 10.510 -4.824 -8.861 1.00 0.00 N ATOM 187 CA LEU A 12 11.891 -5.158 -8.524 1.00 0.00 C ATOM 188 C LEU A 12 12.819 -4.881 -9.703 1.00 0.00 C ATOM 189 O LEU A 12 13.995 -4.559 -9.528 1.00 0.00 O ATOM 190 CB LEU A 12 11.987 -6.634 -8.128 1.00 0.00 C ATOM 191 CG LEU A 12 13.209 -7.009 -7.293 1.00 0.00 C ATOM 192 CD1 LEU A 12 13.147 -8.477 -6.895 1.00 0.00 C ATOM 193 CD2 LEU A 12 14.488 -6.723 -8.057 1.00 0.00 C ATOM 0 H LEU A 12 9.833 -5.549 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 12 12.200 -4.535 -7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.090 -6.902 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.989 -7.237 -9.036 1.00 0.00 H new ATOM 0 HG LEU A 12 13.207 -6.401 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.025 -8.730 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.246 -8.657 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.125 -9.096 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.347 -6.997 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.499 -7.305 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.538 -5.661 -8.298 1.00 0.00 H new ATOM 205 N LYS A 13 12.274 -5.006 -10.903 1.00 0.00 N ATOM 206 CA LYS A 13 13.034 -4.772 -12.121 1.00 0.00 C ATOM 207 C LYS A 13 12.723 -3.384 -12.659 1.00 0.00 C ATOM 208 O LYS A 13 13.589 -2.706 -13.211 1.00 0.00 O ATOM 209 CB LYS A 13 12.724 -5.846 -13.178 1.00 0.00 C ATOM 210 CG LYS A 13 11.556 -6.773 -12.830 1.00 0.00 C ATOM 211 CD LYS A 13 11.790 -7.582 -11.549 1.00 0.00 C ATOM 212 CE LYS A 13 13.266 -7.868 -11.295 1.00 0.00 C ATOM 213 NZ LYS A 13 13.910 -8.561 -12.446 1.00 0.00 N ATOM 0 H LYS A 13 11.301 -5.270 -11.060 1.00 0.00 H new ATOM 0 HA LYS A 13 14.097 -4.834 -11.888 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.507 -5.352 -14.125 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.617 -6.452 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.650 -6.178 -12.716 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.385 -7.459 -13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.378 -7.037 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.248 -8.525 -11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.788 -6.931 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.367 -8.482 -10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.161 -9.532 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.249 -8.589 -13.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.770 -8.047 -12.724 1.00 0.00 H new ATOM 227 N ASP A 14 11.480 -2.966 -12.463 1.00 0.00 N ATOM 228 CA ASP A 14 11.031 -1.652 -12.892 1.00 0.00 C ATOM 229 C ASP A 14 11.022 -0.705 -11.696 1.00 0.00 C ATOM 230 O ASP A 14 10.102 0.096 -11.528 1.00 0.00 O ATOM 231 CB ASP A 14 9.635 -1.751 -13.508 1.00 0.00 C ATOM 232 CG ASP A 14 9.135 -0.420 -14.035 1.00 0.00 C ATOM 233 OD1 ASP A 14 9.972 0.478 -14.266 1.00 0.00 O ATOM 234 OD2 ASP A 14 7.908 -0.276 -14.217 1.00 0.00 O ATOM 0 H ASP A 14 10.760 -3.525 -12.005 1.00 0.00 H new ATOM 0 HA ASP A 14 11.713 -1.263 -13.648 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.651 -2.477 -14.321 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.937 -2.127 -12.759 1.00 0.00 H new ATOM 239 N LEU A 15 12.057 -0.836 -10.863 1.00 0.00 N ATOM 240 CA LEU A 15 12.224 -0.035 -9.646 1.00 0.00 C ATOM 241 C LEU A 15 11.541 1.329 -9.737 1.00 0.00 C ATOM 242 O LEU A 15 11.530 1.961 -10.794 1.00 0.00 O ATOM 243 CB LEU A 15 13.715 0.151 -9.351 1.00 0.00 C ATOM 244 CG LEU A 15 14.208 -0.515 -8.066 1.00 0.00 C ATOM 245 CD1 LEU A 15 13.820 -1.984 -8.041 1.00 0.00 C ATOM 246 CD2 LEU A 15 15.715 -0.356 -7.930 1.00 0.00 C ATOM 0 H LEU A 15 12.810 -1.507 -11.015 1.00 0.00 H new ATOM 0 HA LEU A 15 11.743 -0.580 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.288 -0.244 -10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.928 1.218 -9.294 1.00 0.00 H new ATOM 0 HG LEU A 15 13.732 -0.023 -7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.180 -2.440 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.735 -2.075 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.266 -2.493 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.050 -0.836 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.208 -0.822 -8.783 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.968 0.704 -7.899 1.00 0.00 H new ATOM 258 N PRO A 16 10.964 1.804 -8.615 1.00 0.00 N ATOM 259 CA PRO A 16 10.281 3.099 -8.562 1.00 0.00 C ATOM 260 C PRO A 16 11.072 4.198 -9.257 1.00 0.00 C ATOM 261 O PRO A 16 11.947 4.826 -8.663 1.00 0.00 O ATOM 262 CB PRO A 16 10.174 3.370 -7.063 1.00 0.00 C ATOM 263 CG PRO A 16 10.075 2.014 -6.457 1.00 0.00 C ATOM 264 CD PRO A 16 10.936 1.118 -7.307 1.00 0.00 C ATOM 0 HA PRO A 16 9.320 3.083 -9.075 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.045 3.910 -6.692 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.299 3.977 -6.829 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.421 2.022 -5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.042 1.666 -6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.937 1.010 -6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.514 0.116 -7.388 1.00 0.00 H new ATOM 272 N GLU A 17 10.748 4.420 -10.524 1.00 0.00 N ATOM 273 CA GLU A 17 11.414 5.438 -11.323 1.00 0.00 C ATOM 274 C GLU A 17 11.053 6.847 -10.850 1.00 0.00 C ATOM 275 O GLU A 17 11.597 7.833 -11.347 1.00 0.00 O ATOM 276 CB GLU A 17 11.034 5.265 -12.795 1.00 0.00 C ATOM 277 CG GLU A 17 11.995 5.944 -13.758 1.00 0.00 C ATOM 278 CD GLU A 17 12.238 5.125 -15.011 1.00 0.00 C ATOM 279 OE1 GLU A 17 12.726 3.983 -14.888 1.00 0.00 O ATOM 280 OE2 GLU A 17 11.940 5.627 -16.116 1.00 0.00 O ATOM 0 H GLU A 17 10.023 3.904 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 17 12.490 5.314 -11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.992 4.201 -13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.033 5.666 -12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.596 6.919 -14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.945 6.121 -13.254 1.00 0.00 H new ATOM 287 N GLU A 18 10.129 6.941 -9.893 1.00 0.00 N ATOM 288 CA GLU A 18 9.699 8.232 -9.370 1.00 0.00 C ATOM 289 C GLU A 18 10.819 8.930 -8.612 1.00 0.00 C ATOM 290 O GLU A 18 10.936 10.156 -8.651 1.00 0.00 O ATOM 291 CB GLU A 18 8.479 8.060 -8.463 1.00 0.00 C ATOM 292 CG GLU A 18 7.288 7.423 -9.161 1.00 0.00 C ATOM 293 CD GLU A 18 6.088 7.270 -8.246 1.00 0.00 C ATOM 294 OE1 GLU A 18 6.060 7.930 -7.187 1.00 0.00 O ATOM 295 OE2 GLU A 18 5.176 6.490 -8.592 1.00 0.00 O ATOM 0 H GLU A 18 9.666 6.138 -9.467 1.00 0.00 H new ATOM 0 HA GLU A 18 9.428 8.858 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.757 7.447 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.184 9.035 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.009 8.031 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.576 6.444 -9.542 1.00 0.00 H new ATOM 302 N PHE A 19 11.637 8.152 -7.924 1.00 0.00 N ATOM 303 CA PHE A 19 12.747 8.714 -7.158 1.00 0.00 C ATOM 304 C PHE A 19 13.700 7.635 -6.639 1.00 0.00 C ATOM 305 O PHE A 19 14.776 7.429 -7.201 1.00 0.00 O ATOM 306 CB PHE A 19 12.215 9.554 -5.993 1.00 0.00 C ATOM 307 CG PHE A 19 12.804 10.934 -5.933 1.00 0.00 C ATOM 308 CD1 PHE A 19 14.154 11.114 -5.680 1.00 0.00 C ATOM 309 CD2 PHE A 19 12.008 12.052 -6.133 1.00 0.00 C ATOM 310 CE1 PHE A 19 14.701 12.383 -5.624 1.00 0.00 C ATOM 311 CE2 PHE A 19 12.548 13.323 -6.079 1.00 0.00 C ATOM 312 CZ PHE A 19 13.896 13.488 -5.825 1.00 0.00 C ATOM 0 H PHE A 19 11.559 7.136 -7.877 1.00 0.00 H new ATOM 0 HA PHE A 19 13.317 9.351 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.131 9.633 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.425 9.037 -5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.787 10.253 -5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.954 11.928 -6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.755 12.510 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.917 14.186 -6.235 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.320 14.480 -5.784 1.00 0.00 H new ATOM 322 N ARG A 20 13.312 6.963 -5.557 1.00 0.00 N ATOM 323 CA ARG A 20 14.154 5.929 -4.962 1.00 0.00 C ATOM 324 C ARG A 20 13.346 4.678 -4.607 1.00 0.00 C ATOM 325 O ARG A 20 12.237 4.775 -4.079 1.00 0.00 O ATOM 326 CB ARG A 20 14.841 6.479 -3.706 1.00 0.00 C ATOM 327 CG ARG A 20 15.633 5.440 -2.924 1.00 0.00 C ATOM 328 CD ARG A 20 15.249 5.435 -1.453 1.00 0.00 C ATOM 329 NE ARG A 20 15.462 6.738 -0.825 1.00 0.00 N ATOM 330 CZ ARG A 20 15.151 7.012 0.440 1.00 0.00 C ATOM 331 NH1 ARG A 20 14.611 6.078 1.214 1.00 0.00 N ATOM 332 NH2 ARG A 20 15.378 8.221 0.932 1.00 0.00 N ATOM 0 H ARG A 20 12.425 7.115 -5.077 1.00 0.00 H new ATOM 0 HA ARG A 20 14.905 5.643 -5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.511 7.288 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.085 6.912 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.458 4.452 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 20 16.699 5.645 -3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.201 5.152 -1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.835 4.680 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 20 15.873 7.481 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.433 5.146 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.374 6.293 2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.791 8.943 0.341 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.139 8.430 1.901 1.00 0.00 H new ATOM 346 N PRO A 21 13.896 3.481 -4.891 1.00 0.00 N ATOM 347 CA PRO A 21 13.224 2.208 -4.596 1.00 0.00 C ATOM 348 C PRO A 21 12.810 2.086 -3.132 1.00 0.00 C ATOM 349 O PRO A 21 13.644 1.851 -2.258 1.00 0.00 O ATOM 350 CB PRO A 21 14.287 1.158 -4.928 1.00 0.00 C ATOM 351 CG PRO A 21 15.178 1.822 -5.917 1.00 0.00 C ATOM 352 CD PRO A 21 15.214 3.270 -5.523 1.00 0.00 C ATOM 0 HA PRO A 21 12.300 2.103 -5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.839 0.858 -4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.837 0.256 -5.343 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.177 1.386 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.796 1.701 -6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.030 3.479 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.355 3.919 -6.387 1.00 0.00 H new ATOM 360 N PHE A 22 11.517 2.242 -2.873 1.00 0.00 N ATOM 361 CA PHE A 22 10.989 2.144 -1.516 1.00 0.00 C ATOM 362 C PHE A 22 10.353 0.775 -1.276 1.00 0.00 C ATOM 363 O PHE A 22 10.318 0.288 -0.146 1.00 0.00 O ATOM 364 CB PHE A 22 9.966 3.262 -1.270 1.00 0.00 C ATOM 365 CG PHE A 22 9.063 3.019 -0.091 1.00 0.00 C ATOM 366 CD1 PHE A 22 9.591 2.704 1.151 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.686 3.105 -0.228 1.00 0.00 C ATOM 368 CE1 PHE A 22 8.763 2.480 2.234 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.854 2.882 0.852 1.00 0.00 C ATOM 370 CZ PHE A 22 7.393 2.569 2.085 1.00 0.00 C ATOM 0 H PHE A 22 10.813 2.437 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 22 11.815 2.259 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.499 4.201 -1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.354 3.383 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.662 2.633 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.259 3.349 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.187 2.235 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.783 2.952 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.744 2.394 2.931 1.00 0.00 H new ATOM 380 N VAL A 23 9.846 0.163 -2.342 1.00 0.00 N ATOM 381 CA VAL A 23 9.204 -1.144 -2.240 1.00 0.00 C ATOM 382 C VAL A 23 10.140 -2.272 -2.673 1.00 0.00 C ATOM 383 O VAL A 23 9.863 -3.446 -2.421 1.00 0.00 O ATOM 384 CB VAL A 23 7.919 -1.203 -3.088 1.00 0.00 C ATOM 385 CG1 VAL A 23 8.242 -1.030 -4.566 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.175 -2.508 -2.844 1.00 0.00 C ATOM 0 H VAL A 23 9.867 0.550 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 23 8.950 -1.282 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 23 7.270 -0.381 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.321 -1.075 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.723 -0.065 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.913 -1.827 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.271 -2.530 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.815 -3.348 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.906 -2.582 -1.790 1.00 0.00 H new ATOM 396 N ASP A 24 11.244 -1.918 -3.327 1.00 0.00 N ATOM 397 CA ASP A 24 12.210 -2.911 -3.790 1.00 0.00 C ATOM 398 C ASP A 24 12.568 -3.892 -2.677 1.00 0.00 C ATOM 399 O ASP A 24 12.915 -5.043 -2.940 1.00 0.00 O ATOM 400 CB ASP A 24 13.475 -2.220 -4.306 1.00 0.00 C ATOM 401 CG ASP A 24 14.508 -3.206 -4.818 1.00 0.00 C ATOM 402 OD1 ASP A 24 14.180 -3.990 -5.732 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.647 -3.192 -4.305 1.00 0.00 O ATOM 0 H ASP A 24 11.491 -0.953 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 24 11.751 -3.472 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.208 -1.530 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.912 -1.624 -3.505 1.00 0.00 H new ATOM 408 N TYR A 25 12.474 -3.431 -1.435 1.00 0.00 N ATOM 409 CA TYR A 25 12.784 -4.272 -0.287 1.00 0.00 C ATOM 410 C TYR A 25 11.826 -5.457 -0.217 1.00 0.00 C ATOM 411 O TYR A 25 12.231 -6.580 0.085 1.00 0.00 O ATOM 412 CB TYR A 25 12.719 -3.448 1.006 1.00 0.00 C ATOM 413 CG TYR A 25 11.321 -3.281 1.563 1.00 0.00 C ATOM 414 CD1 TYR A 25 10.402 -2.440 0.947 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.921 -3.966 2.703 1.00 0.00 C ATOM 416 CE1 TYR A 25 9.124 -2.288 1.453 1.00 0.00 C ATOM 417 CE2 TYR A 25 9.646 -3.819 3.215 1.00 0.00 C ATOM 418 CZ TYR A 25 8.752 -2.979 2.586 1.00 0.00 C ATOM 419 OH TYR A 25 7.481 -2.830 3.092 1.00 0.00 O ATOM 0 H TYR A 25 12.186 -2.481 -1.198 1.00 0.00 H new ATOM 0 HA TYR A 25 13.797 -4.659 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.344 -3.926 1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 25 13.144 -2.462 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.690 -1.897 0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.619 -4.625 3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.421 -1.631 0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.352 -4.359 4.103 1.00 0.00 H new ATOM 0 HH TYR A 25 7.380 -3.387 3.892 1.00 0.00 H new ATOM 429 N LYS A 26 10.553 -5.199 -0.503 1.00 0.00 N ATOM 430 CA LYS A 26 9.541 -6.246 -0.480 1.00 0.00 C ATOM 431 C LYS A 26 9.840 -7.305 -1.536 1.00 0.00 C ATOM 432 O LYS A 26 9.421 -8.455 -1.411 1.00 0.00 O ATOM 433 CB LYS A 26 8.150 -5.648 -0.708 1.00 0.00 C ATOM 434 CG LYS A 26 7.197 -5.861 0.458 1.00 0.00 C ATOM 435 CD LYS A 26 6.255 -7.025 0.203 1.00 0.00 C ATOM 436 CE LYS A 26 5.816 -7.682 1.502 1.00 0.00 C ATOM 437 NZ LYS A 26 5.331 -9.073 1.285 1.00 0.00 N ATOM 0 H LYS A 26 10.200 -4.275 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 26 9.561 -6.721 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.250 -4.579 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.717 -6.089 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.769 -6.047 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.618 -4.953 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.379 -6.673 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.749 -7.762 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.651 -7.694 2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.024 -7.089 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.505 -9.639 2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.311 -9.057 1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.838 -9.496 0.482 1.00 0.00 H new ATOM 451 N ALA A 27 10.572 -6.911 -2.575 1.00 0.00 N ATOM 452 CA ALA A 27 10.929 -7.834 -3.643 1.00 0.00 C ATOM 453 C ALA A 27 11.980 -8.830 -3.170 1.00 0.00 C ATOM 454 O ALA A 27 11.932 -10.008 -3.520 1.00 0.00 O ATOM 455 CB ALA A 27 11.435 -7.071 -4.858 1.00 0.00 C ATOM 0 H ALA A 27 10.927 -5.963 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 27 10.034 -8.388 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.697 -7.776 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.655 -6.399 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.315 -6.491 -4.582 1.00 0.00 H new ATOM 461 N GLY A 28 12.931 -8.350 -2.369 1.00 0.00 N ATOM 462 CA GLY A 28 13.981 -9.215 -1.862 1.00 0.00 C ATOM 463 C GLY A 28 13.526 -10.055 -0.680 1.00 0.00 C ATOM 464 O GLY A 28 14.154 -11.063 -0.364 1.00 0.00 O ATOM 0 H GLY A 28 12.991 -7.379 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.322 -9.873 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.835 -8.607 -1.564 1.00 0.00 H new ATOM 468 N LEU A 29 12.436 -9.617 -0.037 1.00 0.00 N ATOM 469 CA LEU A 29 11.844 -10.275 1.134 1.00 0.00 C ATOM 470 C LEU A 29 12.470 -11.628 1.437 1.00 0.00 C ATOM 471 O LEU A 29 11.833 -12.674 1.307 1.00 0.00 O ATOM 472 CB LEU A 29 10.336 -10.436 0.937 1.00 0.00 C ATOM 473 CG LEU A 29 9.531 -10.619 2.228 1.00 0.00 C ATOM 474 CD1 LEU A 29 8.375 -9.631 2.285 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.018 -12.048 2.341 1.00 0.00 C ATOM 0 H LEU A 29 11.931 -8.778 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 29 12.046 -9.632 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.958 -9.559 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.159 -11.296 0.291 1.00 0.00 H new ATOM 0 HG LEU A 29 10.191 -10.423 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.816 -9.778 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.764 -8.613 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.715 -9.793 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.449 -12.158 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.376 -12.272 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.862 -12.738 2.350 1.00 0.00 H new ATOM 487 N GLU A 30 13.728 -11.567 1.857 1.00 0.00 N ATOM 488 CA GLU A 30 14.517 -12.753 2.223 1.00 0.00 C ATOM 489 C GLU A 30 15.439 -13.202 1.090 1.00 0.00 C ATOM 490 O GLU A 30 15.353 -14.338 0.621 1.00 0.00 O ATOM 491 CB GLU A 30 13.616 -13.919 2.651 1.00 0.00 C ATOM 492 CG GLU A 30 14.347 -14.996 3.436 1.00 0.00 C ATOM 493 CD GLU A 30 13.885 -15.085 4.878 1.00 0.00 C ATOM 494 OE1 GLU A 30 13.350 -14.081 5.392 1.00 0.00 O ATOM 495 OE2 GLU A 30 14.059 -16.158 5.492 1.00 0.00 O ATOM 0 H GLU A 30 14.239 -10.690 1.956 1.00 0.00 H new ATOM 0 HA GLU A 30 15.137 -12.459 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.798 -13.531 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.170 -14.368 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.196 -15.960 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.418 -14.793 3.414 1.00 0.00 H new ATOM 502 N LYS A 31 16.325 -12.305 0.660 1.00 0.00 N ATOM 503 CA LYS A 31 17.277 -12.603 -0.408 1.00 0.00 C ATOM 504 C LYS A 31 16.583 -13.277 -1.582 1.00 0.00 C ATOM 505 O LYS A 31 17.095 -14.232 -2.165 1.00 0.00 O ATOM 506 CB LYS A 31 18.418 -13.484 0.112 1.00 0.00 C ATOM 507 CG LYS A 31 17.977 -14.875 0.541 1.00 0.00 C ATOM 508 CD LYS A 31 19.170 -15.783 0.793 1.00 0.00 C ATOM 509 CE LYS A 31 18.856 -16.837 1.843 1.00 0.00 C ATOM 510 NZ LYS A 31 17.531 -17.476 1.610 1.00 0.00 N ATOM 0 H LYS A 31 16.403 -11.361 1.038 1.00 0.00 H new ATOM 0 HA LYS A 31 17.698 -11.659 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.175 -13.578 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.891 -12.986 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.374 -14.804 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.343 -15.311 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.461 -16.270 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 31 20.021 -15.185 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.634 -17.601 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.869 -16.379 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.480 -18.372 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.776 -16.839 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.410 -17.664 0.594 1.00 0.00 H new ATOM 524 N LYS A 32 15.412 -12.762 -1.915 1.00 0.00 N ATOM 525 CA LYS A 32 14.624 -13.297 -3.020 1.00 0.00 C ATOM 526 C LYS A 32 15.279 -13.010 -4.373 1.00 0.00 C ATOM 527 O LYS A 32 14.813 -13.490 -5.406 1.00 0.00 O ATOM 528 CB LYS A 32 13.213 -12.707 -2.995 1.00 0.00 C ATOM 529 CG LYS A 32 12.174 -13.582 -3.676 1.00 0.00 C ATOM 530 CD LYS A 32 11.062 -12.748 -4.290 1.00 0.00 C ATOM 531 CE LYS A 32 9.876 -13.609 -4.693 1.00 0.00 C ATOM 532 NZ LYS A 32 8.592 -12.858 -4.614 1.00 0.00 N ATOM 0 H LYS A 32 14.982 -11.971 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 32 14.571 -14.378 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.915 -12.544 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.228 -11.731 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.652 -14.181 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.751 -14.278 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.737 -11.991 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.443 -12.219 -5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.021 -13.974 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.825 -14.484 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.831 -13.426 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.364 -12.663 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.683 -11.960 -5.130 1.00 0.00 H new ATOM 546 N LYS A 33 16.357 -12.224 -4.364 1.00 0.00 N ATOM 547 CA LYS A 33 17.067 -11.875 -5.592 1.00 0.00 C ATOM 548 C LYS A 33 16.227 -10.945 -6.459 1.00 0.00 C ATOM 549 O LYS A 33 15.169 -10.477 -6.037 1.00 0.00 O ATOM 550 CB LYS A 33 17.442 -13.134 -6.381 1.00 0.00 C ATOM 551 CG LYS A 33 18.265 -14.130 -5.581 1.00 0.00 C ATOM 552 CD LYS A 33 19.600 -14.418 -6.250 1.00 0.00 C ATOM 553 CE LYS A 33 20.438 -13.156 -6.397 1.00 0.00 C ATOM 554 NZ LYS A 33 20.558 -12.731 -7.819 1.00 0.00 N ATOM 0 H LYS A 33 16.756 -11.818 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 33 17.983 -11.355 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.530 -13.622 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.002 -12.843 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.437 -13.739 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.705 -15.059 -5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.150 -15.154 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.428 -14.857 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.988 -12.352 -5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.432 -13.330 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.500 -12.320 -7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.429 -13.555 -8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.829 -12.020 -8.031 1.00 0.00 H new ATOM 568 N LEU A 34 16.705 -10.673 -7.669 1.00 0.00 N ATOM 569 CA LEU A 34 15.998 -9.789 -8.585 1.00 0.00 C ATOM 570 C LEU A 34 15.387 -10.566 -9.748 1.00 0.00 C ATOM 571 O LEU A 34 15.976 -10.659 -10.825 1.00 0.00 O ATOM 572 CB LEU A 34 16.947 -8.708 -9.107 1.00 0.00 C ATOM 573 CG LEU A 34 17.573 -7.826 -8.021 1.00 0.00 C ATOM 574 CD1 LEU A 34 19.032 -8.191 -7.807 1.00 0.00 C ATOM 575 CD2 LEU A 34 17.433 -6.352 -8.376 1.00 0.00 C ATOM 0 H LEU A 34 17.578 -11.052 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 34 15.183 -9.316 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.746 -9.188 -9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 34 16.402 -8.071 -9.804 1.00 0.00 H new ATOM 0 HG LEU A 34 17.037 -8.003 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.457 -7.553 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.105 -9.234 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.583 -8.049 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.884 -5.744 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.938 -6.156 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.377 -6.099 -8.469 1.00 0.00 H new ATOM 587 N SER A 35 14.198 -11.120 -9.520 1.00 0.00 N ATOM 588 CA SER A 35 13.498 -11.888 -10.545 1.00 0.00 C ATOM 589 C SER A 35 12.414 -11.046 -11.214 1.00 0.00 C ATOM 590 O SER A 35 11.714 -10.281 -10.552 1.00 0.00 O ATOM 591 CB SER A 35 12.880 -13.147 -9.932 1.00 0.00 C ATOM 592 OG SER A 35 13.456 -14.319 -10.483 1.00 0.00 O ATOM 0 H SER A 35 13.699 -11.051 -8.633 1.00 0.00 H new ATOM 0 HA SER A 35 14.223 -12.180 -11.305 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.027 -13.139 -8.852 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.804 -13.150 -10.107 1.00 0.00 H new ATOM 0 HG SER A 35 13.045 -15.109 -10.074 1.00 0.00 H new ATOM 598 N ASP A 36 12.281 -11.198 -12.530 1.00 0.00 N ATOM 599 CA ASP A 36 11.281 -10.458 -13.301 1.00 0.00 C ATOM 600 C ASP A 36 9.864 -10.731 -12.798 1.00 0.00 C ATOM 601 O ASP A 36 8.933 -9.992 -13.119 1.00 0.00 O ATOM 602 CB ASP A 36 11.382 -10.829 -14.781 1.00 0.00 C ATOM 603 CG ASP A 36 12.801 -10.733 -15.306 1.00 0.00 C ATOM 604 OD1 ASP A 36 13.268 -9.600 -15.549 1.00 0.00 O ATOM 605 OD2 ASP A 36 13.444 -11.790 -15.474 1.00 0.00 O ATOM 0 H ASP A 36 12.856 -11.830 -13.088 1.00 0.00 H new ATOM 0 HA ASP A 36 11.485 -9.395 -13.173 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.013 -11.844 -14.924 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.737 -10.170 -15.363 1.00 0.00 H new ATOM 610 N ASP A 37 9.699 -11.798 -12.017 1.00 0.00 N ATOM 611 CA ASP A 37 8.388 -12.163 -11.487 1.00 0.00 C ATOM 612 C ASP A 37 7.986 -11.295 -10.291 1.00 0.00 C ATOM 613 O ASP A 37 6.938 -11.518 -9.687 1.00 0.00 O ATOM 614 CB ASP A 37 8.376 -13.639 -11.082 1.00 0.00 C ATOM 615 CG ASP A 37 7.140 -14.364 -11.576 1.00 0.00 C ATOM 616 OD1 ASP A 37 6.144 -13.685 -11.903 1.00 0.00 O ATOM 617 OD2 ASP A 37 7.168 -15.610 -11.637 1.00 0.00 O ATOM 0 H ASP A 37 10.456 -12.423 -11.738 1.00 0.00 H new ATOM 0 HA ASP A 37 7.660 -11.992 -12.280 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.265 -14.129 -11.480 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.429 -13.715 -9.996 1.00 0.00 H new ATOM 622 N ASP A 38 8.814 -10.311 -9.950 1.00 0.00 N ATOM 623 CA ASP A 38 8.520 -9.429 -8.825 1.00 0.00 C ATOM 624 C ASP A 38 7.846 -8.145 -9.301 1.00 0.00 C ATOM 625 O ASP A 38 8.504 -7.252 -9.831 1.00 0.00 O ATOM 626 CB ASP A 38 9.802 -9.093 -8.063 1.00 0.00 C ATOM 627 CG ASP A 38 10.292 -10.250 -7.215 1.00 0.00 C ATOM 628 OD1 ASP A 38 9.643 -10.553 -6.191 1.00 0.00 O ATOM 629 OD2 ASP A 38 11.326 -10.853 -7.573 1.00 0.00 O ATOM 0 H ASP A 38 9.688 -10.105 -10.433 1.00 0.00 H new ATOM 0 HA ASP A 38 7.835 -9.951 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.580 -8.812 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.625 -8.228 -7.424 1.00 0.00 H new ATOM 634 N GLU A 39 6.533 -8.064 -9.109 1.00 0.00 N ATOM 635 CA GLU A 39 5.769 -6.890 -9.520 1.00 0.00 C ATOM 636 C GLU A 39 4.971 -6.322 -8.347 1.00 0.00 C ATOM 637 O GLU A 39 4.363 -7.068 -7.580 1.00 0.00 O ATOM 638 CB GLU A 39 4.823 -7.248 -10.670 1.00 0.00 C ATOM 639 CG GLU A 39 4.962 -6.336 -11.877 1.00 0.00 C ATOM 640 CD GLU A 39 4.112 -5.086 -11.764 1.00 0.00 C ATOM 641 OE1 GLU A 39 3.739 -4.722 -10.628 1.00 0.00 O ATOM 642 OE2 GLU A 39 3.819 -4.470 -12.809 1.00 0.00 O ATOM 0 H GLU A 39 5.975 -8.797 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 39 6.472 -6.130 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.012 -8.276 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.795 -7.207 -10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.007 -6.051 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.679 -6.883 -12.776 1.00 0.00 H new ATOM 649 N ILE A 40 4.978 -4.999 -8.213 1.00 0.00 N ATOM 650 CA ILE A 40 4.255 -4.341 -7.130 1.00 0.00 C ATOM 651 C ILE A 40 3.502 -3.110 -7.624 1.00 0.00 C ATOM 652 O ILE A 40 3.923 -2.446 -8.572 1.00 0.00 O ATOM 653 CB ILE A 40 5.206 -3.920 -5.994 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.144 -5.072 -5.628 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.409 -3.469 -4.779 1.00 0.00 C ATOM 656 CD1 ILE A 40 7.524 -4.944 -6.234 1.00 0.00 C ATOM 0 H ILE A 40 5.474 -4.364 -8.838 1.00 0.00 H new ATOM 0 HA ILE A 40 3.539 -5.069 -6.750 1.00 0.00 H new ATOM 0 HB ILE A 40 5.812 -3.082 -6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.236 -5.124 -4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.698 -6.011 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.094 -3.174 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.781 -2.620 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.780 -4.289 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.134 -5.795 -5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.444 -4.922 -7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.990 -4.022 -5.886 1.00 0.00 H new ATOM 668 N ALA A 41 2.386 -2.809 -6.967 1.00 0.00 N ATOM 669 CA ALA A 41 1.571 -1.657 -7.328 1.00 0.00 C ATOM 670 C ALA A 41 0.975 -1.002 -6.086 1.00 0.00 C ATOM 671 O ALA A 41 -0.060 -1.437 -5.579 1.00 0.00 O ATOM 672 CB ALA A 41 0.468 -2.071 -8.291 1.00 0.00 C ATOM 0 H ALA A 41 2.026 -3.349 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 41 2.212 -0.927 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.133 -1.200 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.912 -2.490 -9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.166 -2.821 -7.817 1.00 0.00 H new ATOM 678 N ILE A 42 1.635 0.043 -5.597 1.00 0.00 N ATOM 679 CA ILE A 42 1.170 0.755 -4.411 1.00 0.00 C ATOM 680 C ILE A 42 0.093 1.774 -4.771 1.00 0.00 C ATOM 681 O ILE A 42 0.210 2.494 -5.762 1.00 0.00 O ATOM 682 CB ILE A 42 2.331 1.477 -3.696 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.453 0.488 -3.375 1.00 0.00 C ATOM 684 CG2 ILE A 42 1.837 2.155 -2.427 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.776 1.155 -3.065 1.00 0.00 C ATOM 0 H ILE A 42 2.493 0.416 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 42 0.749 0.009 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 42 2.725 2.244 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.155 -0.123 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.585 -0.187 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.669 2.659 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.069 2.886 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.418 1.407 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.525 0.394 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.097 1.744 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.660 1.808 -2.200 1.00 0.00 H new ATOM 697 N ILE A 43 -0.958 1.826 -3.957 1.00 0.00 N ATOM 698 CA ILE A 43 -2.058 2.756 -4.188 1.00 0.00 C ATOM 699 C ILE A 43 -2.208 3.728 -3.023 1.00 0.00 C ATOM 700 O ILE A 43 -1.858 3.409 -1.886 1.00 0.00 O ATOM 701 CB ILE A 43 -3.393 2.010 -4.394 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.198 0.807 -5.319 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.444 2.953 -4.959 1.00 0.00 C ATOM 704 CD1 ILE A 43 -2.607 1.168 -6.665 1.00 0.00 C ATOM 0 H ILE A 43 -1.071 1.236 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.817 3.311 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.739 1.646 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.547 0.083 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.160 0.318 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.380 2.413 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.602 3.779 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.104 3.344 -5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.497 0.266 -7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.268 1.868 -7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.630 1.630 -6.521 1.00 0.00 H new ATOM 716 N SER A 44 -2.732 4.914 -3.313 1.00 0.00 N ATOM 717 CA SER A 44 -2.931 5.935 -2.290 1.00 0.00 C ATOM 718 C SER A 44 -4.249 6.670 -2.508 1.00 0.00 C ATOM 719 O SER A 44 -4.476 7.256 -3.566 1.00 0.00 O ATOM 720 CB SER A 44 -1.767 6.929 -2.295 1.00 0.00 C ATOM 721 OG SER A 44 -0.993 6.804 -3.475 1.00 0.00 O ATOM 0 H SER A 44 -3.027 5.192 -4.249 1.00 0.00 H new ATOM 0 HA SER A 44 -2.968 5.441 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.153 7.945 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.136 6.759 -1.423 1.00 0.00 H new ATOM 0 HG SER A 44 -0.257 7.451 -3.454 1.00 0.00 H new ATOM 727 N ILE A 45 -5.117 6.635 -1.500 1.00 0.00 N ATOM 728 CA ILE A 45 -6.413 7.298 -1.585 1.00 0.00 C ATOM 729 C ILE A 45 -6.517 8.439 -0.578 1.00 0.00 C ATOM 730 O ILE A 45 -7.019 9.516 -0.899 1.00 0.00 O ATOM 731 CB ILE A 45 -7.569 6.307 -1.345 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.283 5.435 -0.121 1.00 0.00 C ATOM 733 CG2 ILE A 45 -7.789 5.446 -2.579 1.00 0.00 C ATOM 734 CD1 ILE A 45 -8.369 4.420 0.168 1.00 0.00 C ATOM 0 H ILE A 45 -4.946 6.155 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.495 7.702 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.480 6.874 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.339 4.911 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.156 6.077 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.608 4.751 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.037 6.083 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.880 4.886 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.098 3.838 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.311 4.937 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.481 3.753 -0.687 1.00 0.00 H new ATOM 746 N LYS A 46 -6.040 8.198 0.638 1.00 0.00 N ATOM 747 CA LYS A 46 -6.081 9.210 1.689 1.00 0.00 C ATOM 748 C LYS A 46 -5.428 8.696 2.968 1.00 0.00 C ATOM 749 O LYS A 46 -5.893 8.980 4.072 1.00 0.00 O ATOM 750 CB LYS A 46 -7.527 9.624 1.972 1.00 0.00 C ATOM 751 CG LYS A 46 -7.664 11.054 2.472 1.00 0.00 C ATOM 752 CD LYS A 46 -8.105 11.099 3.927 1.00 0.00 C ATOM 753 CE LYS A 46 -7.573 12.336 4.633 1.00 0.00 C ATOM 754 NZ LYS A 46 -7.336 12.090 6.083 1.00 0.00 N ATOM 0 H LYS A 46 -5.621 7.312 0.921 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.522 10.079 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.114 9.509 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.952 8.947 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.710 11.571 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.387 11.588 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.194 11.089 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.754 10.205 4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.642 12.651 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.283 13.155 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.974 12.958 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.229 11.814 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.639 11.326 6.196 1.00 0.00 H new ATOM 768 N GLY A 47 -4.346 7.939 2.811 1.00 0.00 N ATOM 769 CA GLY A 47 -3.647 7.400 3.962 1.00 0.00 C ATOM 770 C GLY A 47 -2.334 8.109 4.227 1.00 0.00 C ATOM 771 O GLY A 47 -1.289 7.470 4.348 1.00 0.00 O ATOM 0 H GLY A 47 -3.942 7.690 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.285 7.482 4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.458 6.338 3.804 1.00 0.00 H new ATOM 775 N THR A 48 -2.389 9.436 4.318 1.00 0.00 N ATOM 776 CA THR A 48 -1.195 10.240 4.570 1.00 0.00 C ATOM 777 C THR A 48 -0.066 9.862 3.614 1.00 0.00 C ATOM 778 O THR A 48 0.928 9.257 4.019 1.00 0.00 O ATOM 779 CB THR A 48 -0.733 10.075 6.021 1.00 0.00 C ATOM 780 OG1 THR A 48 -1.009 8.768 6.493 1.00 0.00 O ATOM 781 CG2 THR A 48 -1.388 11.055 6.971 1.00 0.00 C ATOM 0 H THR A 48 -3.248 9.978 4.221 1.00 0.00 H new ATOM 0 HA THR A 48 -1.453 11.285 4.398 1.00 0.00 H new ATOM 0 HB THR A 48 0.340 10.268 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.631 8.110 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.018 10.885 7.982 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.150 12.074 6.664 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.469 10.913 6.952 1.00 0.00 H new ATOM 789 N GLN A 49 -0.226 10.223 2.346 1.00 0.00 N ATOM 790 CA GLN A 49 0.778 9.921 1.331 1.00 0.00 C ATOM 791 C GLN A 49 0.973 8.415 1.191 1.00 0.00 C ATOM 792 O GLN A 49 2.069 7.947 0.882 1.00 0.00 O ATOM 793 CB GLN A 49 2.109 10.588 1.686 1.00 0.00 C ATOM 794 CG GLN A 49 1.976 12.059 2.048 1.00 0.00 C ATOM 795 CD GLN A 49 2.151 12.971 0.850 1.00 0.00 C ATOM 796 OE1 GLN A 49 3.214 13.004 0.230 1.00 0.00 O ATOM 797 NE2 GLN A 49 1.106 13.722 0.520 1.00 0.00 N ATOM 0 H GLN A 49 -1.042 10.725 1.996 1.00 0.00 H new ATOM 0 HA GLN A 49 0.425 10.314 0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.560 10.056 2.523 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.791 10.491 0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.996 12.233 2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.719 12.312 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.244 13.663 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.166 14.358 -0.275 1.00 0.00 H new ATOM 806 N SER A 50 -0.099 7.661 1.419 1.00 0.00 N ATOM 807 CA SER A 50 -0.047 6.207 1.318 1.00 0.00 C ATOM 808 C SER A 50 -1.418 5.595 1.587 1.00 0.00 C ATOM 809 O SER A 50 -2.400 6.312 1.777 1.00 0.00 O ATOM 810 CB SER A 50 0.978 5.643 2.305 1.00 0.00 C ATOM 811 OG SER A 50 1.065 6.449 3.467 1.00 0.00 O ATOM 0 H SER A 50 -1.013 8.033 1.675 1.00 0.00 H new ATOM 0 HA SER A 50 0.255 5.948 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.698 4.627 2.584 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.955 5.584 1.825 1.00 0.00 H new ATOM 0 HG SER A 50 0.163 6.680 3.773 1.00 0.00 H new ATOM 817 N ASN A 51 -1.477 4.268 1.601 1.00 0.00 N ATOM 818 CA ASN A 51 -2.730 3.563 1.847 1.00 0.00 C ATOM 819 C ASN A 51 -2.502 2.059 1.947 1.00 0.00 C ATOM 820 O ASN A 51 -2.419 1.503 3.042 1.00 0.00 O ATOM 821 CB ASN A 51 -3.745 3.882 0.743 1.00 0.00 C ATOM 822 CG ASN A 51 -5.055 3.138 0.923 1.00 0.00 C ATOM 823 OD1 ASN A 51 -5.347 2.223 0.006 1.00 0.00 O flip ATOM 824 ND2 ASN A 51 -5.795 3.382 1.877 1.00 0.00 N flip ATOM 0 H ASN A 51 -0.673 3.659 1.445 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.132 3.905 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.939 4.955 0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.316 3.625 -0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.531 4.094 2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.672 2.872 1.986 1.00 0.00 H new ATOM 831 N HIS A 52 -2.404 1.413 0.799 1.00 0.00 N ATOM 832 CA HIS A 52 -2.188 -0.028 0.743 1.00 0.00 C ATOM 833 C HIS A 52 -1.104 -0.380 -0.270 1.00 0.00 C ATOM 834 O HIS A 52 -0.601 0.488 -0.984 1.00 0.00 O ATOM 835 CB HIS A 52 -3.490 -0.746 0.381 1.00 0.00 C ATOM 836 CG HIS A 52 -4.608 -0.482 1.343 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.400 -0.129 2.660 1.00 0.00 N ATOM 838 CD2 HIS A 52 -5.951 -0.524 1.173 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.566 0.035 3.259 1.00 0.00 C ATOM 840 NE2 HIS A 52 -6.522 -0.198 2.378 1.00 0.00 N ATOM 0 H HIS A 52 -2.471 1.863 -0.114 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.859 -0.357 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.800 -0.437 -0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.304 -1.819 0.339 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -3.488 -0.013 3.102 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.475 -0.768 0.260 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.712 0.312 4.292 1.00 0.00 H new ATOM 849 N VAL A 53 -0.750 -1.659 -0.329 1.00 0.00 N ATOM 850 CA VAL A 53 0.273 -2.132 -1.255 1.00 0.00 C ATOM 851 C VAL A 53 -0.018 -3.558 -1.708 1.00 0.00 C ATOM 852 O VAL A 53 0.000 -4.491 -0.904 1.00 0.00 O ATOM 853 CB VAL A 53 1.675 -2.081 -0.618 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.745 -2.409 -1.649 1.00 0.00 C ATOM 855 CG2 VAL A 53 1.929 -0.718 0.008 1.00 0.00 C ATOM 0 H VAL A 53 -1.158 -2.389 0.255 1.00 0.00 H new ATOM 0 HA VAL A 53 0.253 -1.467 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 53 1.721 -2.832 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.728 -2.368 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.574 -3.410 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.701 -1.685 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.924 -0.702 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.862 0.053 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.183 -0.528 0.780 1.00 0.00 H new ATOM 865 N LEU A 54 -0.291 -3.721 -2.999 1.00 0.00 N ATOM 866 CA LEU A 54 -0.590 -5.036 -3.555 1.00 0.00 C ATOM 867 C LEU A 54 0.560 -5.540 -4.422 1.00 0.00 C ATOM 868 O LEU A 54 1.449 -4.778 -4.799 1.00 0.00 O ATOM 869 CB LEU A 54 -1.877 -4.983 -4.380 1.00 0.00 C ATOM 870 CG LEU A 54 -3.120 -4.528 -3.613 1.00 0.00 C ATOM 871 CD1 LEU A 54 -4.352 -4.606 -4.500 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.309 -5.368 -2.359 1.00 0.00 C ATOM 0 H LEU A 54 -0.311 -2.960 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.724 -5.729 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.722 -4.310 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.066 -5.974 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.979 -3.490 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.226 -4.279 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.217 -3.961 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.498 -5.634 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.198 -5.031 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.428 -6.415 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.437 -5.261 -1.714 1.00 0.00 H new ATOM 884 N PHE A 55 0.532 -6.832 -4.734 1.00 0.00 N ATOM 885 CA PHE A 55 1.567 -7.446 -5.558 1.00 0.00 C ATOM 886 C PHE A 55 0.971 -8.016 -6.841 1.00 0.00 C ATOM 887 O PHE A 55 0.219 -8.990 -6.806 1.00 0.00 O ATOM 888 CB PHE A 55 2.280 -8.550 -4.776 1.00 0.00 C ATOM 889 CG PHE A 55 3.761 -8.599 -5.020 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.281 -9.361 -6.053 1.00 0.00 C ATOM 891 CD2 PHE A 55 4.633 -7.882 -4.215 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.644 -9.408 -6.281 1.00 0.00 C ATOM 893 CE2 PHE A 55 5.997 -7.925 -4.438 1.00 0.00 C ATOM 894 CZ PHE A 55 6.502 -8.689 -5.472 1.00 0.00 C ATOM 0 H PHE A 55 -0.198 -7.475 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 55 2.291 -6.676 -5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.100 -8.403 -3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.844 -9.513 -5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.614 -9.925 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.243 -7.284 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.037 -10.006 -7.090 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.667 -7.362 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.567 -8.724 -5.648 1.00 0.00 H new ATOM 904 N LEU A 56 1.309 -7.403 -7.970 1.00 0.00 N ATOM 905 CA LEU A 56 0.804 -7.851 -9.263 1.00 0.00 C ATOM 906 C LEU A 56 1.339 -9.238 -9.607 1.00 0.00 C ATOM 907 O LEU A 56 2.512 -9.535 -9.381 1.00 0.00 O ATOM 908 CB LEU A 56 1.188 -6.852 -10.357 1.00 0.00 C ATOM 909 CG LEU A 56 0.063 -5.916 -10.805 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.561 -5.218 -9.606 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.584 -4.897 -11.805 1.00 0.00 C ATOM 0 H LEU A 56 1.930 -6.595 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.283 -7.909 -9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.022 -6.248 -9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.545 -7.407 -11.225 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.707 -6.513 -11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.359 -4.557 -9.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.972 -5.963 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.200 -4.633 -9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.230 -4.240 -12.112 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.374 -4.305 -11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.982 -5.414 -12.678 1.00 0.00 H new ATOM 923 N SER A 57 0.469 -10.083 -10.152 1.00 0.00 N ATOM 924 CA SER A 57 0.854 -11.440 -10.526 1.00 0.00 C ATOM 925 C SER A 57 1.129 -11.540 -12.023 1.00 0.00 C ATOM 926 O SER A 57 2.283 -11.596 -12.448 1.00 0.00 O ATOM 927 CB SER A 57 -0.244 -12.431 -10.130 1.00 0.00 C ATOM 928 OG SER A 57 -0.005 -12.970 -8.842 1.00 0.00 O ATOM 0 H SER A 57 -0.506 -9.853 -10.344 1.00 0.00 H new ATOM 0 HA SER A 57 1.771 -11.689 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.212 -11.930 -10.144 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.291 -13.237 -10.862 1.00 0.00 H new ATOM 0 HG SER A 57 -0.721 -13.598 -8.612 1.00 0.00 H new ATOM 934 N SER A 58 0.064 -11.566 -12.818 1.00 0.00 N ATOM 935 CA SER A 58 0.195 -11.663 -14.268 1.00 0.00 C ATOM 936 C SER A 58 -0.219 -10.359 -14.945 1.00 0.00 C ATOM 937 O SER A 58 0.627 -9.566 -15.357 1.00 0.00 O ATOM 938 CB SER A 58 -0.653 -12.821 -14.801 1.00 0.00 C ATOM 939 OG SER A 58 -0.834 -12.717 -16.202 1.00 0.00 O ATOM 0 H SER A 58 -0.898 -11.521 -12.483 1.00 0.00 H new ATOM 0 HA SER A 58 1.243 -11.851 -14.500 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.171 -13.769 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.624 -12.824 -14.305 1.00 0.00 H new ATOM 0 HG SER A 58 -1.377 -13.469 -16.518 1.00 0.00 H new ATOM 945 N TYR A 59 -1.527 -10.143 -15.055 1.00 0.00 N ATOM 946 CA TYR A 59 -2.053 -8.936 -15.683 1.00 0.00 C ATOM 947 C TYR A 59 -1.665 -8.876 -17.157 1.00 0.00 C ATOM 948 O TYR A 59 -0.482 -8.861 -17.497 1.00 0.00 O ATOM 949 CB TYR A 59 -1.538 -7.690 -14.957 1.00 0.00 C ATOM 950 CG TYR A 59 -2.226 -6.412 -15.381 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.597 -6.377 -15.598 1.00 0.00 C ATOM 952 CD2 TYR A 59 -1.503 -5.239 -15.563 1.00 0.00 C ATOM 953 CE1 TYR A 59 -4.230 -5.212 -15.985 1.00 0.00 C ATOM 954 CE2 TYR A 59 -2.129 -4.069 -15.949 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.492 -4.061 -16.159 1.00 0.00 C ATOM 956 OH TYR A 59 -4.119 -2.898 -16.544 1.00 0.00 O ATOM 0 H TYR A 59 -2.241 -10.788 -14.717 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.140 -8.965 -15.612 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.671 -7.825 -13.884 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.467 -7.592 -15.136 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.179 -7.277 -15.462 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.435 -5.242 -15.400 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.297 -5.203 -16.150 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.554 -3.165 -16.086 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.457 -2.179 -16.621 1.00 0.00 H new ATOM 966 N ASN A 60 -2.669 -8.844 -18.029 1.00 0.00 N ATOM 967 CA ASN A 60 -2.430 -8.787 -19.467 1.00 0.00 C ATOM 968 C ASN A 60 -3.262 -7.686 -20.118 1.00 0.00 C ATOM 969 O ASN A 60 -3.737 -7.837 -21.243 1.00 0.00 O ATOM 970 CB ASN A 60 -2.752 -10.136 -20.113 1.00 0.00 C ATOM 971 CG ASN A 60 -1.560 -11.072 -20.122 1.00 0.00 C ATOM 972 OD1 ASN A 60 -1.302 -11.778 -19.147 1.00 0.00 O ATOM 973 ND2 ASN A 60 -0.823 -11.083 -21.227 1.00 0.00 N ATOM 0 H ASN A 60 -3.654 -8.857 -17.765 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.376 -8.559 -19.624 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.575 -10.606 -19.575 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.091 -9.974 -21.136 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.008 -11.693 -21.290 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.072 -10.482 -22.012 1.00 0.00 H new ATOM 980 N SER A 61 -3.433 -6.579 -19.404 1.00 0.00 N ATOM 981 CA SER A 61 -4.207 -5.453 -19.914 1.00 0.00 C ATOM 982 C SER A 61 -5.647 -5.866 -20.201 1.00 0.00 C ATOM 983 O SER A 61 -6.291 -5.324 -21.099 1.00 0.00 O ATOM 984 CB SER A 61 -3.561 -4.896 -21.183 1.00 0.00 C ATOM 985 OG SER A 61 -4.145 -3.658 -21.552 1.00 0.00 O ATOM 0 H SER A 61 -3.046 -6.437 -18.471 1.00 0.00 H new ATOM 0 HA SER A 61 -4.217 -4.677 -19.149 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.491 -4.763 -21.022 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.674 -5.612 -21.997 1.00 0.00 H new ATOM 0 HG SER A 61 -5.117 -3.763 -21.621 1.00 0.00 H new ATOM 991 N VAL A 62 -6.147 -6.828 -19.433 1.00 0.00 N ATOM 992 CA VAL A 62 -7.511 -7.312 -19.607 1.00 0.00 C ATOM 993 C VAL A 62 -8.460 -6.654 -18.611 1.00 0.00 C ATOM 994 O VAL A 62 -8.089 -6.390 -17.467 1.00 0.00 O ATOM 995 CB VAL A 62 -7.593 -8.840 -19.439 1.00 0.00 C ATOM 996 CG1 VAL A 62 -7.006 -9.545 -20.652 1.00 0.00 C ATOM 997 CG2 VAL A 62 -6.887 -9.277 -18.164 1.00 0.00 C ATOM 0 H VAL A 62 -5.628 -7.288 -18.685 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.810 -7.048 -20.621 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.643 -9.121 -19.359 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.073 -10.624 -20.514 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.562 -9.258 -21.544 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.961 -9.259 -20.769 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.956 -10.360 -18.063 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.838 -8.983 -18.210 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.360 -8.802 -17.305 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.686 -6.391 -19.053 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.688 -5.764 -18.199 1.00 0.00 C ATOM 1009 C ASP A 63 -10.944 -6.604 -16.949 1.00 0.00 C ATOM 1010 O ASP A 63 -11.324 -6.077 -15.904 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.995 -5.569 -18.971 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.753 -4.335 -18.523 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -12.100 -3.356 -18.104 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -14.000 -4.347 -18.591 1.00 0.00 O ATOM 0 H ASP A 63 -10.009 -6.602 -19.997 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.306 -4.791 -17.889 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.776 -5.491 -20.036 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.626 -6.448 -18.839 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.731 -7.910 -17.067 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.938 -8.823 -15.947 1.00 0.00 C ATOM 1021 C GLU A 64 -9.976 -8.509 -14.805 1.00 0.00 C ATOM 1022 O GLU A 64 -10.304 -8.699 -13.634 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.751 -10.271 -16.403 1.00 0.00 C ATOM 1024 CG GLU A 64 -10.995 -11.293 -15.303 1.00 0.00 C ATOM 1025 CD GLU A 64 -12.001 -12.354 -15.705 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -12.138 -12.614 -16.919 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -12.651 -12.927 -14.804 1.00 0.00 O ATOM 0 H GLU A 64 -10.415 -8.361 -17.926 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.958 -8.691 -15.586 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.430 -10.473 -17.232 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.737 -10.395 -16.784 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.052 -11.773 -15.042 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.350 -10.781 -14.409 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.787 -8.029 -15.156 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.778 -7.690 -14.161 1.00 0.00 C ATOM 1036 C ILE A 65 -7.656 -6.179 -13.994 1.00 0.00 C ATOM 1037 O ILE A 65 -7.305 -5.690 -12.920 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.400 -8.265 -14.541 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.516 -9.755 -14.866 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.401 -8.041 -13.415 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -5.405 -10.267 -15.758 1.00 0.00 C ATOM 0 H ILE A 65 -8.500 -7.867 -16.121 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.102 -8.132 -13.219 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.040 -7.745 -15.429 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.515 -10.323 -13.936 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.475 -9.939 -15.351 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.433 -8.453 -13.700 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.299 -6.972 -13.226 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.754 -8.537 -12.511 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.551 -11.330 -15.947 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.419 -9.725 -16.704 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.444 -10.115 -15.266 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.946 -5.441 -15.062 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.869 -3.985 -15.028 1.00 0.00 C ATOM 1055 C ARG A 66 -8.800 -3.419 -13.962 1.00 0.00 C ATOM 1056 O ARG A 66 -8.425 -2.517 -13.212 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.223 -3.400 -16.396 1.00 0.00 C ATOM 1058 CG ARG A 66 -7.572 -2.052 -16.668 1.00 0.00 C ATOM 1059 CD ARG A 66 -8.538 -0.903 -16.419 1.00 0.00 C ATOM 1060 NE ARG A 66 -8.784 -0.123 -17.629 1.00 0.00 N ATOM 1061 CZ ARG A 66 -9.802 0.722 -17.772 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -10.669 0.901 -16.783 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -9.953 1.392 -18.907 1.00 0.00 N ATOM 0 H ARG A 66 -8.236 -5.827 -15.960 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.846 -3.705 -14.778 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.921 -4.103 -17.172 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.305 -3.293 -16.467 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.695 -1.936 -16.031 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.223 -2.017 -17.700 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.482 -1.298 -16.044 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.135 -0.252 -15.644 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.138 -0.232 -18.410 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.557 0.390 -15.908 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.447 1.550 -16.898 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.289 1.259 -19.670 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.733 2.040 -19.017 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.012 -3.958 -13.896 1.00 0.00 N ATOM 1078 CA LYS A 67 -10.994 -3.511 -12.917 1.00 0.00 C ATOM 1079 C LYS A 67 -10.630 -4.012 -11.523 1.00 0.00 C ATOM 1080 O LYS A 67 -10.938 -3.368 -10.520 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.392 -3.999 -13.301 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.496 -3.014 -12.954 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.667 -3.127 -13.916 1.00 0.00 C ATOM 1084 CE LYS A 67 -15.680 -4.156 -13.442 1.00 0.00 C ATOM 1085 NZ LYS A 67 -15.089 -5.520 -13.360 1.00 0.00 N ATOM 0 H LYS A 67 -10.338 -4.705 -14.509 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.993 -2.421 -12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.417 -4.197 -14.372 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.589 -4.945 -12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.841 -3.197 -11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.100 -1.999 -12.979 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.152 -2.156 -14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.301 -3.404 -14.905 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.061 -3.866 -12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.530 -4.169 -14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.842 -6.231 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.397 -5.645 -14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.615 -5.638 -12.442 1.00 0.00 H new ATOM 1099 N GLU A 68 -9.969 -5.165 -11.469 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.557 -5.753 -10.199 1.00 0.00 C ATOM 1101 C GLU A 68 -8.660 -4.793 -9.424 1.00 0.00 C ATOM 1102 O GLU A 68 -8.836 -4.597 -8.222 1.00 0.00 O ATOM 1103 CB GLU A 68 -8.824 -7.074 -10.438 1.00 0.00 C ATOM 1104 CG GLU A 68 -8.406 -7.778 -9.157 1.00 0.00 C ATOM 1105 CD GLU A 68 -7.383 -8.871 -9.401 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -6.350 -8.586 -10.042 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -7.617 -10.013 -8.949 1.00 0.00 O ATOM 0 H GLU A 68 -9.707 -5.710 -12.290 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.452 -5.945 -9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.468 -7.738 -11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.938 -6.884 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.992 -7.046 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.286 -8.209 -8.679 1.00 0.00 H new ATOM 1114 N LEU A 69 -7.700 -4.195 -10.123 1.00 0.00 N ATOM 1115 CA LEU A 69 -6.776 -3.255 -9.500 1.00 0.00 C ATOM 1116 C LEU A 69 -7.498 -1.974 -9.102 1.00 0.00 C ATOM 1117 O LEU A 69 -7.491 -1.587 -7.934 1.00 0.00 O ATOM 1118 CB LEU A 69 -5.621 -2.934 -10.450 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.611 -1.912 -9.922 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -3.836 -2.488 -8.749 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.664 -1.481 -11.030 1.00 0.00 C ATOM 0 H LEU A 69 -7.542 -4.345 -11.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.373 -3.719 -8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.092 -3.859 -10.680 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.035 -2.562 -11.387 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.156 -1.034 -9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.122 -1.748 -8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.528 -2.748 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.301 -3.381 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.952 -0.754 -10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.125 -2.350 -11.406 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.235 -1.029 -11.841 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.129 -1.322 -10.075 1.00 0.00 N ATOM 1134 CA GLU A 70 -8.864 -0.089 -9.812 1.00 0.00 C ATOM 1135 C GLU A 70 -9.794 -0.277 -8.618 1.00 0.00 C ATOM 1136 O GLU A 70 -9.970 0.627 -7.799 1.00 0.00 O ATOM 1137 CB GLU A 70 -9.669 0.329 -11.045 1.00 0.00 C ATOM 1138 CG GLU A 70 -9.657 1.827 -11.301 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.153 2.186 -12.687 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -9.397 1.981 -13.660 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.298 2.672 -12.801 1.00 0.00 O ATOM 0 H GLU A 70 -8.146 -1.626 -11.049 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.147 0.699 -9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.270 -0.184 -11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.700 -0.002 -10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.279 2.324 -10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.643 2.206 -11.173 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.372 -1.470 -8.523 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.269 -1.798 -7.426 1.00 0.00 C ATOM 1150 C GLU A 71 -10.514 -1.754 -6.102 1.00 0.00 C ATOM 1151 O GLU A 71 -10.915 -1.056 -5.169 1.00 0.00 O ATOM 1152 CB GLU A 71 -11.882 -3.184 -7.638 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.271 -3.145 -8.255 1.00 0.00 C ATOM 1154 CD GLU A 71 -13.980 -4.482 -8.175 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -14.622 -4.754 -7.138 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -13.894 -5.259 -9.150 1.00 0.00 O ATOM 0 H GLU A 71 -10.234 -2.225 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.073 -1.062 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.224 -3.769 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.933 -3.700 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.870 -2.389 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.193 -2.841 -9.299 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.411 -2.493 -6.033 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.594 -2.526 -4.827 1.00 0.00 C ATOM 1165 C ALA A 72 -8.054 -1.137 -4.505 1.00 0.00 C ATOM 1166 O ALA A 72 -7.710 -0.843 -3.361 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.453 -3.517 -4.988 1.00 0.00 C ATOM 0 H ALA A 72 -9.064 -3.075 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.220 -2.850 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.852 -3.530 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.858 -4.512 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.829 -3.220 -5.831 1.00 0.00 H new ATOM 1173 N GLY A 73 -7.983 -0.287 -5.525 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.487 1.061 -5.335 1.00 0.00 C ATOM 1175 C GLY A 73 -8.358 1.871 -4.396 1.00 0.00 C ATOM 1176 O GLY A 73 -7.852 2.541 -3.495 1.00 0.00 O ATOM 0 H GLY A 73 -8.261 -0.510 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.472 1.019 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.432 1.564 -6.300 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.672 1.817 -4.603 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.599 2.562 -3.760 1.00 0.00 C ATOM 1182 C ALA A 74 -12.006 1.968 -3.794 1.00 0.00 C ATOM 1183 O ALA A 74 -12.961 2.633 -4.197 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.635 4.020 -4.183 1.00 0.00 C ATOM 0 H ALA A 74 -10.114 1.269 -5.341 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.238 2.492 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.331 4.566 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.639 4.452 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.961 4.090 -5.221 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.130 0.721 -3.357 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.428 0.051 -3.327 1.00 0.00 C ATOM 1192 C LYS A 75 -14.027 0.091 -1.923 1.00 0.00 C ATOM 1193 O LYS A 75 -14.692 1.057 -1.550 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.303 -1.393 -3.820 1.00 0.00 C ATOM 1195 CG LYS A 75 -13.604 -1.556 -5.301 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.102 -1.594 -5.561 1.00 0.00 C ATOM 1197 CE LYS A 75 -15.700 -2.936 -5.173 1.00 0.00 C ATOM 1198 NZ LYS A 75 -16.762 -3.367 -6.125 1.00 0.00 N ATOM 0 H LYS A 75 -11.353 0.154 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.101 0.585 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.293 -1.750 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.983 -2.024 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.157 -0.732 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.146 -2.474 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.591 -0.800 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.294 -1.400 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.913 -3.689 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.118 -2.870 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.539 -3.816 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.125 -2.539 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.365 -4.048 -6.803 1.00 0.00 H new ATOM 1212 N ILE A 76 -13.788 -0.960 -1.152 1.00 0.00 N ATOM 1213 CA ILE A 76 -14.301 -1.046 0.210 1.00 0.00 C ATOM 1214 C ILE A 76 -13.223 -0.691 1.229 1.00 0.00 C ATOM 1215 O ILE A 76 -13.262 -1.148 2.371 1.00 0.00 O ATOM 1216 CB ILE A 76 -14.841 -2.456 0.519 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -15.731 -2.948 -0.624 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -15.609 -2.454 1.832 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -16.114 -4.408 -0.507 1.00 0.00 C ATOM 0 H ILE A 76 -13.240 -1.768 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.117 -0.328 0.286 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.996 -3.138 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -16.638 -2.344 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -15.213 -2.791 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.984 -3.457 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -14.947 -2.143 2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.447 -1.761 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.745 -4.687 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.213 -5.022 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.660 -4.568 0.423 1.00 0.00 H new ATOM 1231 N ASN A 77 -12.259 0.126 0.806 1.00 0.00 N ATOM 1232 CA ASN A 77 -11.161 0.549 1.674 1.00 0.00 C ATOM 1233 C ASN A 77 -10.595 -0.624 2.474 1.00 0.00 C ATOM 1234 O ASN A 77 -10.105 -0.449 3.589 1.00 0.00 O ATOM 1235 CB ASN A 77 -11.627 1.656 2.625 1.00 0.00 C ATOM 1236 CG ASN A 77 -12.672 1.176 3.614 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -12.416 0.279 4.418 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -13.858 1.771 3.559 1.00 0.00 N ATOM 0 H ASN A 77 -12.217 0.510 -0.138 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.367 0.936 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.768 2.046 3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.036 2.482 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.600 1.489 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.027 2.510 2.877 1.00 0.00 H new ATOM 1245 N HIS A 78 -10.667 -1.819 1.893 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.162 -3.020 2.549 1.00 0.00 C ATOM 1247 C HIS A 78 -10.832 -3.228 3.904 1.00 0.00 C ATOM 1248 O HIS A 78 -10.529 -2.529 4.871 1.00 0.00 O ATOM 1249 CB HIS A 78 -8.646 -2.932 2.726 1.00 0.00 C ATOM 1250 CG HIS A 78 -7.881 -3.206 1.469 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.148 -2.575 0.271 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -6.850 -4.050 1.224 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -7.316 -3.020 -0.654 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -6.518 -3.915 -0.101 1.00 0.00 N ATOM 0 H HIS A 78 -11.070 -1.980 0.970 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.399 -3.874 1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -8.388 -1.937 3.089 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.336 -3.642 3.493 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -8.874 -1.874 0.123 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -6.377 -4.707 1.939 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.293 -2.705 -1.687 1.00 0.00 H new ATOM 1263 N THR A 79 -11.745 -4.194 3.966 1.00 0.00 N ATOM 1264 CA THR A 79 -12.456 -4.493 5.203 1.00 0.00 C ATOM 1265 C THR A 79 -12.057 -5.862 5.745 1.00 0.00 C ATOM 1266 O THR A 79 -11.984 -6.063 6.958 1.00 0.00 O ATOM 1267 CB THR A 79 -13.968 -4.445 4.971 1.00 0.00 C ATOM 1268 OG1 THR A 79 -14.663 -4.997 6.074 1.00 0.00 O ATOM 1269 CG2 THR A 79 -14.406 -5.193 3.730 1.00 0.00 C ATOM 0 H THR A 79 -12.009 -4.781 3.175 1.00 0.00 H new ATOM 0 HA THR A 79 -12.183 -3.738 5.940 1.00 0.00 H new ATOM 0 HB THR A 79 -14.208 -3.389 4.843 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.628 -4.956 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 79 -15.488 -5.120 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.925 -4.757 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.120 -6.241 3.817 1.00 0.00 H new ATOM 1277 N THR A 80 -11.801 -6.801 4.840 1.00 0.00 N ATOM 1278 CA THR A 80 -11.411 -8.151 5.231 1.00 0.00 C ATOM 1279 C THR A 80 -10.193 -8.618 4.439 1.00 0.00 C ATOM 1280 O THR A 80 -9.824 -8.012 3.432 1.00 0.00 O ATOM 1281 CB THR A 80 -12.573 -9.121 5.017 1.00 0.00 C ATOM 1282 OG1 THR A 80 -13.020 -9.083 3.673 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.764 -8.834 5.905 1.00 0.00 C ATOM 0 H THR A 80 -11.856 -6.652 3.832 1.00 0.00 H new ATOM 0 HA THR A 80 -11.149 -8.134 6.289 1.00 0.00 H new ATOM 0 HB THR A 80 -12.177 -10.104 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.762 -9.712 3.557 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.552 -9.559 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.464 -8.907 6.950 1.00 0.00 H new ATOM 0 HG23 THR A 80 -14.135 -7.829 5.703 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.572 -9.699 4.902 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.395 -10.249 4.238 1.00 0.00 C ATOM 1293 C LEU A 81 -8.755 -11.468 3.388 1.00 0.00 C ATOM 1294 O LEU A 81 -7.878 -12.118 2.818 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.336 -10.635 5.273 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.475 -9.478 5.782 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -5.421 -9.986 6.754 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.823 -8.748 4.618 1.00 0.00 C ATOM 0 H LEU A 81 -9.864 -10.211 5.734 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.994 -9.479 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.834 -11.099 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.682 -11.390 4.837 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.118 -8.775 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.817 -9.149 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.909 -10.464 7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.780 -10.709 6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.214 -7.928 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.192 -9.441 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.595 -8.351 3.959 1.00 0.00 H new ATOM 1310 N LYS A 82 -10.047 -11.776 3.304 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.510 -12.917 2.525 1.00 0.00 C ATOM 1312 C LYS A 82 -10.114 -12.773 1.059 1.00 0.00 C ATOM 1313 O LYS A 82 -9.926 -13.768 0.357 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.027 -13.065 2.645 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.531 -14.457 2.298 1.00 0.00 C ATOM 1316 CD LYS A 82 -12.280 -15.437 3.432 1.00 0.00 C ATOM 1317 CE LYS A 82 -13.478 -15.531 4.363 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.629 -16.221 3.720 1.00 0.00 N ATOM 0 H LYS A 82 -10.790 -11.251 3.766 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.034 -13.813 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.328 -12.822 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.508 -12.339 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.598 -14.415 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.035 -14.810 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.059 -16.422 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.402 -15.124 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.193 -16.067 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.780 -14.529 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.272 -16.580 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.139 -15.550 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.281 -17.015 3.146 1.00 0.00 H new ATOM 1332 N ILE A 83 -9.984 -11.532 0.600 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.606 -11.271 -0.784 1.00 0.00 C ATOM 1334 C ILE A 83 -8.256 -11.900 -1.104 1.00 0.00 C ATOM 1335 O ILE A 83 -8.092 -12.548 -2.137 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.548 -9.758 -1.084 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.231 -9.519 -2.562 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -8.515 -9.079 -0.197 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -9.383 -8.075 -2.988 1.00 0.00 C ATOM 0 H ILE A 83 -10.134 -10.695 1.163 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.374 -11.720 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.524 -9.324 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.210 -9.843 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.888 -10.140 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.487 -8.013 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.784 -9.222 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.533 -9.515 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.142 -7.981 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.410 -7.752 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.706 -7.450 -2.405 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.293 -11.715 -0.206 1.00 0.00 N ATOM 1352 CA LEU A 84 -5.965 -12.279 -0.397 1.00 0.00 C ATOM 1353 C LEU A 84 -6.051 -13.796 -0.492 1.00 0.00 C ATOM 1354 O LEU A 84 -5.450 -14.411 -1.373 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.037 -11.873 0.752 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.184 -10.628 0.488 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -4.523 -9.525 1.480 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -2.703 -10.968 0.557 1.00 0.00 C ATOM 0 H LEU A 84 -7.408 -11.182 0.656 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.553 -11.888 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.641 -11.699 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.374 -12.709 0.976 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.408 -10.268 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.906 -8.650 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.575 -9.258 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.330 -9.876 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.114 -10.071 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.464 -11.355 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.467 -11.722 -0.194 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.821 -14.391 0.411 1.00 0.00 N ATOM 1371 CA GLU A 85 -7.006 -15.834 0.415 1.00 0.00 C ATOM 1372 C GLU A 85 -7.680 -16.283 -0.878 1.00 0.00 C ATOM 1373 O GLU A 85 -7.558 -17.438 -1.287 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.843 -16.262 1.622 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.385 -17.570 2.246 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.669 -17.639 3.733 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -7.347 -16.663 4.444 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -8.214 -18.667 4.187 1.00 0.00 O ATOM 0 H GLU A 85 -7.325 -13.897 1.147 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.027 -16.309 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.806 -15.476 2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.884 -16.360 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.883 -18.401 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.315 -17.693 2.078 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.393 -15.357 -1.520 1.00 0.00 N ATOM 1386 CA GLY A 86 -9.073 -15.672 -2.760 1.00 0.00 C ATOM 1387 C GLY A 86 -8.119 -15.782 -3.934 1.00 0.00 C ATOM 1388 O GLY A 86 -8.337 -16.584 -4.843 1.00 0.00 O ATOM 0 H GLY A 86 -8.509 -14.395 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.613 -16.612 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.815 -14.901 -2.970 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.058 -14.978 -3.920 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.078 -15.001 -5.000 1.00 0.00 C ATOM 1394 C HIS A 87 -4.831 -14.201 -4.635 1.00 0.00 C ATOM 1395 O HIS A 87 -4.577 -13.135 -5.196 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.694 -14.448 -6.287 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.134 -13.022 -6.175 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -8.092 -12.596 -5.278 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -6.741 -11.918 -6.854 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -8.268 -11.294 -5.410 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -7.461 -10.858 -6.358 1.00 0.00 N ATOM 0 H HIS A 87 -6.857 -14.308 -3.178 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.782 -16.038 -5.159 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.966 -14.533 -7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.550 -15.063 -6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.000 -11.878 -7.639 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.956 -10.689 -4.839 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.384 -9.891 -6.672 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.052 -14.725 -3.693 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.829 -14.061 -3.257 1.00 0.00 C ATOM 1412 C LEU A 88 -1.908 -15.039 -2.532 1.00 0.00 C ATOM 1413 O LEU A 88 -0.727 -15.138 -2.923 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.162 -12.877 -2.345 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.599 -11.528 -2.797 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -1.123 -11.649 -3.143 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -3.386 -10.996 -3.986 1.00 0.00 C ATOM 1418 OXT LEU A 88 -2.377 -15.694 -1.578 1.00 0.00 O ATOM 0 H LEU A 88 -4.246 -15.606 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.310 -13.691 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.246 -12.793 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.786 -13.093 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.698 -10.821 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.743 -10.678 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.570 -11.985 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.996 -12.371 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.973 -10.036 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.319 -11.703 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.431 -10.867 -3.703 1.00 0.00 H new