USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 80 LYS NZ :NH3+ -109:sc= 1.26 (180deg=-0.173) USER MOD Set 1.2: A 82 ASN :FLIP amide:sc= -0.0328 F(o=-0.56,f=1.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 10 GLN : amide:sc= -0.757 K(o=-0.76,f=-4.6!) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= 0.00738 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.165 K(o=-0.16,f=-6.6!) USER MOD Single : A 38 ASN : amide:sc= -2.44 K(o=-2.4,f=-6.8!) USER MOD Single : A 39 MET CE :methyl -158:sc= -0.973 (180deg=-2.08) USER MOD Single : A 43 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.058) USER MOD Single : A 45 SER OG : rot -150:sc= -0.423 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -30:sc= -3.53! USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.102 F(o=-0.9,f=-0.1) USER MOD Single : A 63 SER OG : rot -140:sc= 0.975 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 66 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.4) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0508 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 55:sc= 0.595 USER MOD Single : A 75 ASN : amide:sc= -2.44 K(o=-2.4,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ -140:sc= 0.362 (180deg=-0.578!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= -0.936 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.632 -2.396 -3.884 1.00 0.00 N ATOM 28 CA THR A 3 6.749 -2.277 -4.813 1.00 0.00 C ATOM 29 C THR A 3 8.082 -2.281 -4.074 1.00 0.00 C ATOM 30 O THR A 3 8.205 -1.763 -2.964 1.00 0.00 O ATOM 31 CB THR A 3 6.645 -0.991 -5.654 1.00 0.00 C ATOM 32 OG1 THR A 3 7.882 -0.749 -6.334 1.00 0.00 O ATOM 33 CG2 THR A 3 6.301 0.204 -4.777 1.00 0.00 C ATOM 0 HA THR A 3 6.702 -3.141 -5.476 1.00 0.00 H new ATOM 0 HB THR A 3 5.848 -1.126 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.807 0.070 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.233 1.100 -5.394 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.345 0.030 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.078 0.339 -4.025 1.00 0.00 H new ATOM 41 N PRO A 4 9.106 -2.878 -4.702 1.00 0.00 N ATOM 42 CA PRO A 4 10.449 -2.963 -4.121 1.00 0.00 C ATOM 43 C PRO A 4 11.144 -1.607 -4.070 1.00 0.00 C ATOM 44 O PRO A 4 11.678 -1.211 -3.033 1.00 0.00 O ATOM 45 CB PRO A 4 11.188 -3.906 -5.074 1.00 0.00 C ATOM 46 CG PRO A 4 10.472 -3.771 -6.373 1.00 0.00 C ATOM 47 CD PRO A 4 9.030 -3.517 -6.026 1.00 0.00 C ATOM 0 HA PRO A 4 10.426 -3.310 -3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.238 -3.629 -5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.162 -4.934 -4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.882 -2.950 -6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.576 -4.676 -6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.549 -2.869 -6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.455 -4.443 -5.993 1.00 0.00 H new ATOM 55 N ARG A 5 11.134 -0.898 -5.194 1.00 0.00 N ATOM 56 CA ARG A 5 11.765 0.414 -5.276 1.00 0.00 C ATOM 57 C ARG A 5 11.075 1.284 -6.323 1.00 0.00 C ATOM 58 O ARG A 5 10.603 0.786 -7.346 1.00 0.00 O ATOM 59 CB ARG A 5 13.249 0.269 -5.615 1.00 0.00 C ATOM 60 CG ARG A 5 14.147 0.175 -4.391 1.00 0.00 C ATOM 61 CD ARG A 5 14.619 -1.251 -4.155 1.00 0.00 C ATOM 62 NE ARG A 5 15.959 -1.295 -3.577 1.00 0.00 N ATOM 63 CZ ARG A 5 17.066 -1.045 -4.268 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.992 -0.735 -5.555 1.00 0.00 N ATOM 65 NH2 ARG A 5 18.250 -1.105 -3.671 1.00 0.00 N ATOM 0 H ARG A 5 10.696 -1.210 -6.061 1.00 0.00 H new ATOM 0 HA ARG A 5 11.667 0.898 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.388 -0.623 -6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.560 1.121 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.010 0.828 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.607 0.531 -3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.920 -1.759 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.613 -1.796 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 5 16.050 -1.531 -2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.084 -0.688 -6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.843 -0.543 -6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.311 -1.343 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.099 -0.913 -4.202 1.00 0.00 H new ATOM 79 N PHE A 6 11.021 2.585 -6.061 1.00 0.00 N ATOM 80 CA PHE A 6 10.388 3.525 -6.979 1.00 0.00 C ATOM 81 C PHE A 6 10.909 4.941 -6.754 1.00 0.00 C ATOM 82 O PHE A 6 11.041 5.392 -5.616 1.00 0.00 O ATOM 83 CB PHE A 6 8.868 3.495 -6.806 1.00 0.00 C ATOM 84 CG PHE A 6 8.410 3.950 -5.450 1.00 0.00 C ATOM 85 CD1 PHE A 6 8.287 3.047 -4.406 1.00 0.00 C ATOM 86 CD2 PHE A 6 8.103 5.281 -5.218 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.866 3.462 -3.157 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.683 5.703 -3.971 1.00 0.00 C ATOM 89 CZ PHE A 6 7.563 4.792 -2.940 1.00 0.00 C ATOM 0 H PHE A 6 11.408 3.013 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 6 10.637 3.223 -7.996 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.411 4.128 -7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.511 2.480 -6.980 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.523 2.006 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.193 5.997 -6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.774 2.748 -2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.449 6.744 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.233 5.119 -1.965 1.00 0.00 H new ATOM 99 N SER A 7 11.205 5.637 -7.847 1.00 0.00 N ATOM 100 CA SER A 7 11.716 7.001 -7.769 1.00 0.00 C ATOM 101 C SER A 7 10.843 7.955 -8.578 1.00 0.00 C ATOM 102 O SER A 7 10.408 7.630 -9.683 1.00 0.00 O ATOM 103 CB SER A 7 13.159 7.057 -8.276 1.00 0.00 C ATOM 104 OG SER A 7 14.065 7.287 -7.212 1.00 0.00 O ATOM 0 H SER A 7 11.100 5.279 -8.796 1.00 0.00 H new ATOM 0 HA SER A 7 11.693 7.313 -6.725 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.409 6.121 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.256 7.849 -9.018 1.00 0.00 H new ATOM 0 HG SER A 7 14.980 7.317 -7.562 1.00 0.00 H new ATOM 110 N ILE A 8 10.591 9.134 -8.019 1.00 0.00 N ATOM 111 CA ILE A 8 9.771 10.136 -8.689 1.00 0.00 C ATOM 112 C ILE A 8 10.606 11.344 -9.099 1.00 0.00 C ATOM 113 O ILE A 8 11.518 11.757 -8.382 1.00 0.00 O ATOM 114 CB ILE A 8 8.613 10.608 -7.789 1.00 0.00 C ATOM 115 CG1 ILE A 8 8.001 9.421 -7.044 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.556 11.322 -8.618 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.841 9.801 -6.151 1.00 0.00 C ATOM 0 H ILE A 8 10.943 9.419 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 8 9.359 9.663 -9.580 1.00 0.00 H new ATOM 0 HB ILE A 8 9.006 11.310 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.663 8.682 -7.770 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.773 8.944 -6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.744 11.650 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.001 12.188 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.164 10.640 -9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.457 8.910 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.178 10.517 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.051 10.250 -6.752 1.00 0.00 H new ATOM 129 N THR A 9 10.287 11.910 -10.259 1.00 0.00 N ATOM 130 CA THR A 9 11.006 13.072 -10.766 1.00 0.00 C ATOM 131 C THR A 9 10.045 14.194 -11.140 1.00 0.00 C ATOM 132 O THR A 9 8.928 13.942 -11.592 1.00 0.00 O ATOM 133 CB THR A 9 11.860 12.711 -11.997 1.00 0.00 C ATOM 134 OG1 THR A 9 12.365 11.378 -11.869 1.00 0.00 O ATOM 135 CG2 THR A 9 13.018 13.685 -12.156 1.00 0.00 C ATOM 0 H THR A 9 9.535 11.582 -10.865 1.00 0.00 H new ATOM 0 HA THR A 9 11.662 13.412 -9.964 1.00 0.00 H new ATOM 0 HB THR A 9 11.228 12.775 -12.882 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.905 11.156 -12.656 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.607 13.410 -13.031 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.629 14.695 -12.283 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.649 13.648 -11.268 1.00 0.00 H new ATOM 143 N GLN A 10 10.486 15.433 -10.949 1.00 0.00 N ATOM 144 CA GLN A 10 9.663 16.594 -11.267 1.00 0.00 C ATOM 145 C GLN A 10 10.227 17.349 -12.466 1.00 0.00 C ATOM 146 O GLN A 10 11.442 17.443 -12.638 1.00 0.00 O ATOM 147 CB GLN A 10 9.572 17.528 -10.058 1.00 0.00 C ATOM 148 CG GLN A 10 10.901 18.157 -9.674 1.00 0.00 C ATOM 149 CD GLN A 10 11.045 18.349 -8.177 1.00 0.00 C ATOM 150 OE1 GLN A 10 11.102 19.477 -7.687 1.00 0.00 O ATOM 151 NE2 GLN A 10 11.104 17.245 -7.441 1.00 0.00 N ATOM 0 H GLN A 10 11.408 15.659 -10.576 1.00 0.00 H new ATOM 0 HA GLN A 10 8.663 16.241 -11.520 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.854 18.319 -10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.184 16.969 -9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.714 17.528 -10.036 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.999 19.122 -10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.053 16.330 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.200 17.312 -6.428 1.00 0.00 H new ATOM 160 N ASP A 11 9.336 17.885 -13.293 1.00 0.00 N ATOM 161 CA ASP A 11 9.745 18.633 -14.477 1.00 0.00 C ATOM 162 C ASP A 11 9.041 19.986 -14.534 1.00 0.00 C ATOM 163 O ASP A 11 8.167 20.276 -13.719 1.00 0.00 O ATOM 164 CB ASP A 11 9.440 17.832 -15.743 1.00 0.00 C ATOM 165 CG ASP A 11 9.638 16.341 -15.547 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.628 15.956 -14.890 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.803 15.561 -16.050 1.00 0.00 O ATOM 0 H ASP A 11 8.326 17.816 -13.166 1.00 0.00 H new ATOM 0 HA ASP A 11 10.820 18.804 -14.415 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.412 18.022 -16.050 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.083 18.178 -16.552 1.00 0.00 H new ATOM 172 N GLU A 12 9.432 20.809 -15.502 1.00 0.00 N ATOM 173 CA GLU A 12 8.839 22.132 -15.664 1.00 0.00 C ATOM 174 C GLU A 12 7.628 22.076 -16.591 1.00 0.00 C ATOM 175 O GLU A 12 7.145 23.106 -17.060 1.00 0.00 O ATOM 176 CB GLU A 12 9.874 23.114 -16.217 1.00 0.00 C ATOM 177 CG GLU A 12 10.370 22.757 -17.608 1.00 0.00 C ATOM 178 CD GLU A 12 11.628 21.911 -17.580 1.00 0.00 C ATOM 179 OE1 GLU A 12 12.692 22.442 -17.200 1.00 0.00 O ATOM 180 OE2 GLU A 12 11.548 20.717 -17.938 1.00 0.00 O ATOM 0 H GLU A 12 10.155 20.584 -16.185 1.00 0.00 H new ATOM 0 HA GLU A 12 8.508 22.477 -14.684 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.438 24.113 -16.241 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.724 23.154 -15.536 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.587 22.219 -18.142 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.565 23.673 -18.166 1.00 0.00 H new ATOM 187 N GLU A 13 7.145 20.865 -16.851 1.00 0.00 N ATOM 188 CA GLU A 13 5.991 20.675 -17.723 1.00 0.00 C ATOM 189 C GLU A 13 5.035 19.638 -17.142 1.00 0.00 C ATOM 190 O GLU A 13 3.816 19.801 -17.197 1.00 0.00 O ATOM 191 CB GLU A 13 6.445 20.243 -19.119 1.00 0.00 C ATOM 192 CG GLU A 13 7.699 19.385 -19.112 1.00 0.00 C ATOM 193 CD GLU A 13 8.086 18.906 -20.498 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.450 19.350 -21.477 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.024 18.088 -20.604 1.00 0.00 O ATOM 0 H GLU A 13 7.534 20.002 -16.471 1.00 0.00 H new ATOM 0 HA GLU A 13 5.464 21.626 -17.799 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.638 19.689 -19.599 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.626 21.131 -19.724 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.523 19.957 -18.686 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.541 18.522 -18.465 1.00 0.00 H new ATOM 202 N PHE A 14 5.598 18.569 -16.587 1.00 0.00 N ATOM 203 CA PHE A 14 4.796 17.503 -15.997 1.00 0.00 C ATOM 204 C PHE A 14 5.620 16.691 -15.002 1.00 0.00 C ATOM 205 O PHE A 14 6.786 16.995 -14.751 1.00 0.00 O ATOM 206 CB PHE A 14 4.246 16.585 -17.091 1.00 0.00 C ATOM 207 CG PHE A 14 5.315 15.939 -17.925 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.870 16.610 -19.004 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.766 14.663 -17.631 1.00 0.00 C ATOM 210 CE1 PHE A 14 6.853 16.017 -19.774 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.750 14.066 -18.397 1.00 0.00 C ATOM 212 CZ PHE A 14 7.295 14.745 -19.469 1.00 0.00 C ATOM 0 H PHE A 14 6.605 18.418 -16.534 1.00 0.00 H new ATOM 0 HA PHE A 14 3.963 17.961 -15.464 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.637 15.808 -16.630 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.588 17.162 -17.741 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.531 17.606 -19.245 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.344 14.128 -16.793 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.275 16.549 -20.614 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.092 13.070 -18.157 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.065 14.282 -20.068 1.00 0.00 H new ATOM 222 N ILE A 15 5.004 15.657 -14.439 1.00 0.00 N ATOM 223 CA ILE A 15 5.679 14.800 -13.472 1.00 0.00 C ATOM 224 C ILE A 15 6.034 13.450 -14.087 1.00 0.00 C ATOM 225 O ILE A 15 5.266 12.891 -14.870 1.00 0.00 O ATOM 226 CB ILE A 15 4.811 14.569 -12.221 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.961 15.739 -11.247 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.191 13.259 -11.547 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.311 15.791 -10.568 1.00 0.00 C ATOM 0 H ILE A 15 4.039 15.392 -14.636 1.00 0.00 H new ATOM 0 HA ILE A 15 6.594 15.315 -13.179 1.00 0.00 H new ATOM 0 HB ILE A 15 3.767 14.507 -12.527 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.798 16.673 -11.786 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.183 15.670 -10.486 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.569 13.110 -10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.038 12.434 -12.243 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.239 13.293 -11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.346 16.645 -9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.469 14.873 -10.001 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.093 15.892 -11.321 1.00 0.00 H new ATOM 241 N PHE A 16 7.203 12.931 -13.726 1.00 0.00 N ATOM 242 CA PHE A 16 7.660 11.646 -14.241 1.00 0.00 C ATOM 243 C PHE A 16 7.912 10.662 -13.102 1.00 0.00 C ATOM 244 O PHE A 16 8.871 10.805 -12.343 1.00 0.00 O ATOM 245 CB PHE A 16 8.937 11.827 -15.065 1.00 0.00 C ATOM 246 CG PHE A 16 9.693 10.549 -15.288 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.315 9.671 -16.292 1.00 0.00 C ATOM 248 CD2 PHE A 16 10.782 10.225 -14.495 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.009 8.494 -16.498 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.480 9.049 -14.697 1.00 0.00 C ATOM 251 CZ PHE A 16 11.093 8.183 -15.701 1.00 0.00 C ATOM 0 H PHE A 16 7.851 13.381 -13.079 1.00 0.00 H new ATOM 0 HA PHE A 16 6.877 11.241 -14.882 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.678 12.260 -16.031 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.587 12.541 -14.560 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.469 9.909 -16.920 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.089 10.899 -13.709 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.704 7.817 -17.282 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.326 8.808 -14.071 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.637 7.264 -15.862 1.00 0.00 H new ATOM 261 N LEU A 17 7.043 9.663 -12.989 1.00 0.00 N ATOM 262 CA LEU A 17 7.170 8.654 -11.943 1.00 0.00 C ATOM 263 C LEU A 17 7.830 7.389 -12.483 1.00 0.00 C ATOM 264 O LEU A 17 7.355 6.791 -13.449 1.00 0.00 O ATOM 265 CB LEU A 17 5.795 8.317 -11.363 1.00 0.00 C ATOM 266 CG LEU A 17 5.676 6.964 -10.661 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.485 6.958 -9.373 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.217 6.637 -10.377 1.00 0.00 C ATOM 0 H LEU A 17 6.244 9.530 -13.608 1.00 0.00 H new ATOM 0 HA LEU A 17 7.801 9.062 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.521 9.097 -10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.064 8.350 -12.171 1.00 0.00 H new ATOM 0 HG LEU A 17 6.078 6.197 -11.323 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.388 5.987 -8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.534 7.147 -9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.113 7.736 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.151 5.671 -9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.790 7.407 -9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.663 6.599 -11.315 1.00 0.00 H new ATOM 280 N LYS A 18 8.928 6.986 -11.852 1.00 0.00 N ATOM 281 CA LYS A 18 9.653 5.790 -12.266 1.00 0.00 C ATOM 282 C LYS A 18 9.510 4.681 -11.228 1.00 0.00 C ATOM 283 O LYS A 18 9.643 4.921 -10.028 1.00 0.00 O ATOM 284 CB LYS A 18 11.133 6.115 -12.480 1.00 0.00 C ATOM 285 CG LYS A 18 12.023 4.886 -12.541 1.00 0.00 C ATOM 286 CD LYS A 18 13.380 5.208 -13.143 1.00 0.00 C ATOM 287 CE LYS A 18 14.074 6.328 -12.384 1.00 0.00 C ATOM 288 NZ LYS A 18 15.557 6.216 -12.463 1.00 0.00 N ATOM 0 H LYS A 18 9.335 7.470 -11.052 1.00 0.00 H new ATOM 0 HA LYS A 18 9.224 5.442 -13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.242 6.679 -13.407 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.475 6.761 -11.672 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.156 4.482 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.536 4.112 -13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.006 4.316 -13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.257 5.496 -14.187 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.760 7.290 -12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.763 6.306 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.989 7.118 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.882 5.460 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.837 5.991 -13.439 1.00 0.00 H new ATOM 302 N ILE A 19 9.240 3.468 -11.699 1.00 0.00 N ATOM 303 CA ILE A 19 9.083 2.323 -10.811 1.00 0.00 C ATOM 304 C ILE A 19 10.048 1.202 -11.183 1.00 0.00 C ATOM 305 O ILE A 19 10.048 0.719 -12.315 1.00 0.00 O ATOM 306 CB ILE A 19 7.643 1.777 -10.846 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.640 2.908 -10.607 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.467 0.678 -9.809 1.00 0.00 C ATOM 309 CD1 ILE A 19 6.112 3.527 -11.883 1.00 0.00 C ATOM 0 H ILE A 19 9.126 3.253 -12.690 1.00 0.00 H new ATOM 0 HA ILE A 19 9.307 2.673 -9.803 1.00 0.00 H new ATOM 0 HB ILE A 19 7.455 1.352 -11.832 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.802 2.523 -10.026 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.115 3.683 -10.006 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.444 0.303 -9.846 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.160 -0.136 -10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.670 1.079 -8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.407 4.321 -11.638 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.941 3.942 -12.456 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.607 2.764 -12.476 1.00 0.00 H new ATOM 321 N PHE A 20 10.869 0.793 -10.221 1.00 0.00 N ATOM 322 CA PHE A 20 11.839 -0.272 -10.446 1.00 0.00 C ATOM 323 C PHE A 20 11.230 -1.637 -10.141 1.00 0.00 C ATOM 324 O PHE A 20 10.900 -1.938 -8.993 1.00 0.00 O ATOM 325 CB PHE A 20 13.081 -0.050 -9.581 1.00 0.00 C ATOM 326 CG PHE A 20 13.668 1.326 -9.715 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.403 1.674 -10.837 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.484 2.272 -8.719 1.00 0.00 C ATOM 329 CE1 PHE A 20 14.944 2.940 -10.963 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.022 3.539 -8.840 1.00 0.00 C ATOM 331 CZ PHE A 20 14.754 3.873 -9.963 1.00 0.00 C ATOM 0 H PHE A 20 10.882 1.183 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 20 12.128 -0.250 -11.497 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.823 -0.226 -8.537 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.838 -0.787 -9.850 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.555 0.948 -11.622 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.914 2.016 -7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.515 3.199 -11.843 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.870 4.268 -8.057 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.177 4.862 -10.059 1.00 0.00 H new ATOM 341 N ILE A 21 11.082 -2.457 -11.175 1.00 0.00 N ATOM 342 CA ILE A 21 10.513 -3.790 -11.018 1.00 0.00 C ATOM 343 C ILE A 21 11.186 -4.789 -11.953 1.00 0.00 C ATOM 344 O ILE A 21 12.117 -4.444 -12.680 1.00 0.00 O ATOM 345 CB ILE A 21 8.997 -3.790 -11.291 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.712 -3.302 -12.712 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.276 -2.921 -10.271 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.578 -4.039 -13.389 1.00 0.00 C ATOM 0 H ILE A 21 11.348 -2.222 -12.131 1.00 0.00 H new ATOM 0 HA ILE A 21 10.689 -4.088 -9.984 1.00 0.00 H new ATOM 0 HB ILE A 21 8.626 -4.810 -11.197 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.476 -2.238 -12.681 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.615 -3.411 -13.313 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.206 -2.931 -10.477 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.457 -3.310 -9.269 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.649 -1.899 -10.336 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.433 -3.640 -14.393 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.820 -5.100 -13.452 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.663 -3.909 -12.811 1.00 0.00 H new ATOM 492 N LEU A 31 -2.299 -3.825 -16.807 1.00 0.00 N ATOM 493 CA LEU A 31 -1.720 -2.493 -16.663 1.00 0.00 C ATOM 494 C LEU A 31 -2.778 -1.414 -16.872 1.00 0.00 C ATOM 495 O LEU A 31 -3.450 -1.383 -17.902 1.00 0.00 O ATOM 496 CB LEU A 31 -0.576 -2.303 -17.660 1.00 0.00 C ATOM 497 CG LEU A 31 0.366 -3.494 -17.837 1.00 0.00 C ATOM 498 CD1 LEU A 31 1.625 -3.074 -18.580 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.719 -4.100 -16.486 1.00 0.00 C ATOM 0 HA LEU A 31 -1.329 -2.400 -15.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.005 -2.057 -18.632 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.014 -1.442 -17.345 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.145 -4.252 -18.431 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.283 -3.935 -18.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.356 -2.688 -19.563 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.140 -2.298 -18.014 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.390 -4.946 -16.631 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.211 -3.349 -15.868 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.191 -4.439 -15.990 1.00 0.00 H new ATOM 511 N GLU A 32 -2.916 -0.530 -15.889 1.00 0.00 N ATOM 512 CA GLU A 32 -3.891 0.552 -15.967 1.00 0.00 C ATOM 513 C GLU A 32 -3.721 1.522 -14.802 1.00 0.00 C ATOM 514 O GLU A 32 -4.410 1.417 -13.787 1.00 0.00 O ATOM 515 CB GLU A 32 -5.313 -0.013 -15.972 1.00 0.00 C ATOM 516 CG GLU A 32 -6.387 1.045 -16.159 1.00 0.00 C ATOM 517 CD GLU A 32 -6.561 1.451 -17.609 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.218 0.701 -18.361 1.00 0.00 O ATOM 519 OE2 GLU A 32 -6.039 2.519 -17.992 1.00 0.00 O ATOM 0 H GLU A 32 -2.366 -0.542 -15.030 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.720 1.095 -16.897 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.399 -0.751 -16.770 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.490 -0.537 -15.033 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.335 0.667 -15.775 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.132 1.924 -15.568 1.00 0.00 H new ATOM 526 N ILE A 33 -2.798 2.466 -14.956 1.00 0.00 N ATOM 527 CA ILE A 33 -2.538 3.455 -13.917 1.00 0.00 C ATOM 528 C ILE A 33 -3.451 4.667 -14.071 1.00 0.00 C ATOM 529 O ILE A 33 -3.592 5.216 -15.164 1.00 0.00 O ATOM 530 CB ILE A 33 -1.072 3.926 -13.943 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.127 2.726 -13.849 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.809 4.904 -12.808 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.335 3.098 -13.962 1.00 0.00 C ATOM 0 H ILE A 33 -2.218 2.567 -15.789 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.739 2.970 -12.962 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.887 4.438 -14.887 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.292 2.218 -12.899 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.375 2.016 -14.638 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.231 5.227 -12.840 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.462 5.770 -12.916 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.008 4.416 -11.854 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.946 2.199 -13.887 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.515 3.580 -14.923 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.599 3.784 -13.157 1.00 0.00 H new ATOM 545 N ILE A 34 -4.069 5.078 -12.969 1.00 0.00 N ATOM 546 CA ILE A 34 -4.967 6.227 -12.980 1.00 0.00 C ATOM 547 C ILE A 34 -4.562 7.251 -11.925 1.00 0.00 C ATOM 548 O ILE A 34 -3.979 6.902 -10.899 1.00 0.00 O ATOM 549 CB ILE A 34 -6.427 5.802 -12.734 1.00 0.00 C ATOM 550 CG1 ILE A 34 -6.607 5.328 -11.290 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.832 4.709 -13.711 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.384 6.298 -10.429 1.00 0.00 C ATOM 0 H ILE A 34 -3.965 4.633 -12.057 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.890 6.679 -13.969 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.073 6.665 -12.896 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.120 4.366 -11.293 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.626 5.165 -10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.866 4.419 -13.525 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.737 5.080 -14.732 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.183 3.843 -13.578 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.473 5.897 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.861 7.254 -10.395 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.379 6.443 -10.851 1.00 0.00 H new ATOM 564 N ILE A 35 -4.877 8.515 -12.185 1.00 0.00 N ATOM 565 CA ILE A 35 -4.549 9.590 -11.257 1.00 0.00 C ATOM 566 C ILE A 35 -5.803 10.134 -10.581 1.00 0.00 C ATOM 567 O ILE A 35 -6.787 10.458 -11.245 1.00 0.00 O ATOM 568 CB ILE A 35 -3.821 10.746 -11.968 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.553 10.233 -12.655 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.483 11.849 -10.977 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.627 10.269 -14.165 1.00 0.00 C ATOM 0 H ILE A 35 -5.359 8.820 -13.031 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.887 9.164 -10.503 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.483 11.159 -12.729 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.704 10.832 -12.327 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.364 9.209 -12.333 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.969 12.659 -11.495 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.401 12.230 -10.529 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.837 11.450 -10.195 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.694 9.891 -14.584 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.455 9.647 -14.504 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.785 11.295 -14.497 1.00 0.00 H new ATOM 583 N GLN A 36 -5.759 10.234 -9.256 1.00 0.00 N ATOM 584 CA GLN A 36 -6.891 10.740 -8.490 1.00 0.00 C ATOM 585 C GLN A 36 -7.011 12.254 -8.631 1.00 0.00 C ATOM 586 O GLN A 36 -6.315 12.867 -9.440 1.00 0.00 O ATOM 587 CB GLN A 36 -6.745 10.363 -7.015 1.00 0.00 C ATOM 588 CG GLN A 36 -7.871 9.482 -6.498 1.00 0.00 C ATOM 589 CD GLN A 36 -9.244 10.037 -6.826 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.597 11.139 -6.406 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.026 9.273 -7.579 1.00 0.00 N ATOM 0 H GLN A 36 -4.951 9.971 -8.691 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.798 10.284 -8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.796 9.846 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.704 11.274 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.774 8.485 -6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.776 9.374 -5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.692 8.366 -7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.961 9.593 -7.832 1.00 0.00 H new ATOM 600 N GLU A 37 -7.897 12.849 -7.839 1.00 0.00 N ATOM 601 CA GLU A 37 -8.108 14.291 -7.878 1.00 0.00 C ATOM 602 C GLU A 37 -6.782 15.038 -7.761 1.00 0.00 C ATOM 603 O GLU A 37 -6.588 16.080 -8.385 1.00 0.00 O ATOM 604 CB GLU A 37 -9.050 14.722 -6.752 1.00 0.00 C ATOM 605 CG GLU A 37 -8.752 14.053 -5.420 1.00 0.00 C ATOM 606 CD GLU A 37 -9.022 14.963 -4.237 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.671 16.011 -4.430 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.583 14.625 -3.118 1.00 0.00 O ATOM 0 H GLU A 37 -8.480 12.355 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.562 14.540 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.985 15.803 -6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.076 14.496 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.358 13.152 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.709 13.738 -5.401 1.00 0.00 H new ATOM 615 N ASN A 38 -5.874 14.496 -6.956 1.00 0.00 N ATOM 616 CA ASN A 38 -4.567 15.111 -6.755 1.00 0.00 C ATOM 617 C ASN A 38 -3.468 14.053 -6.714 1.00 0.00 C ATOM 618 O ASN A 38 -2.460 14.164 -7.410 1.00 0.00 O ATOM 619 CB ASN A 38 -4.556 15.924 -5.459 1.00 0.00 C ATOM 620 CG ASN A 38 -4.983 15.103 -4.258 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.171 14.852 -4.054 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.013 14.680 -3.456 1.00 0.00 N ATOM 0 H ASN A 38 -6.019 13.633 -6.433 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.374 15.777 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.554 16.318 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.221 16.781 -5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.239 14.123 -2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.042 14.912 -3.664 1.00 0.00 H new ATOM 629 N MET A 39 -3.673 13.028 -5.894 1.00 0.00 N ATOM 630 CA MET A 39 -2.701 11.948 -5.764 1.00 0.00 C ATOM 631 C MET A 39 -2.746 11.026 -6.978 1.00 0.00 C ATOM 632 O MET A 39 -3.611 11.167 -7.844 1.00 0.00 O ATOM 633 CB MET A 39 -2.965 11.146 -4.489 1.00 0.00 C ATOM 634 CG MET A 39 -3.772 9.879 -4.724 1.00 0.00 C ATOM 635 SD MET A 39 -4.398 9.160 -3.194 1.00 0.00 S ATOM 636 CE MET A 39 -2.911 9.141 -2.196 1.00 0.00 C ATOM 0 H MET A 39 -4.502 12.922 -5.310 1.00 0.00 H new ATOM 0 HA MET A 39 -1.708 12.393 -5.705 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.011 10.880 -4.033 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.495 11.777 -3.776 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.609 10.104 -5.384 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.149 9.146 -5.237 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.014 8.400 -1.403 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.056 8.886 -2.822 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.757 10.126 -1.754 1.00 0.00 H new ATOM 646 N ILE A 40 -1.812 10.083 -7.035 1.00 0.00 N ATOM 647 CA ILE A 40 -1.747 9.138 -8.142 1.00 0.00 C ATOM 648 C ILE A 40 -1.865 7.701 -7.646 1.00 0.00 C ATOM 649 O ILE A 40 -1.260 7.329 -6.640 1.00 0.00 O ATOM 650 CB ILE A 40 -0.436 9.289 -8.936 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.414 10.628 -9.677 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.271 8.134 -9.912 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.875 10.883 -10.426 1.00 0.00 C ATOM 0 H ILE A 40 -1.089 9.953 -6.327 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.587 9.364 -8.798 1.00 0.00 H new ATOM 0 HB ILE A 40 0.399 9.269 -8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.246 10.658 -10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.574 11.433 -8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.660 8.255 -10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.246 7.193 -9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.109 8.124 -10.609 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.820 11.849 -10.927 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.709 10.885 -9.724 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.027 10.098 -11.167 1.00 0.00 H new ATOM 665 N ILE A 41 -2.647 6.897 -8.359 1.00 0.00 N ATOM 666 CA ILE A 41 -2.842 5.500 -7.993 1.00 0.00 C ATOM 667 C ILE A 41 -2.127 4.571 -8.969 1.00 0.00 C ATOM 668 O ILE A 41 -2.412 4.573 -10.167 1.00 0.00 O ATOM 669 CB ILE A 41 -4.337 5.131 -7.953 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.075 6.014 -6.944 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.510 3.661 -7.604 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.498 5.949 -5.547 1.00 0.00 C ATOM 0 H ILE A 41 -3.156 7.189 -9.193 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.418 5.373 -6.997 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.766 5.303 -8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.050 7.047 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.123 5.715 -6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.572 3.415 -7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.013 3.048 -8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.070 3.465 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.071 6.599 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.548 4.924 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.459 6.277 -5.567 1.00 0.00 H new ATOM 684 N PHE A 42 -1.198 3.776 -8.448 1.00 0.00 N ATOM 685 CA PHE A 42 -0.443 2.841 -9.273 1.00 0.00 C ATOM 686 C PHE A 42 -1.028 1.435 -9.177 1.00 0.00 C ATOM 687 O PHE A 42 -0.837 0.737 -8.180 1.00 0.00 O ATOM 688 CB PHE A 42 1.027 2.823 -8.847 1.00 0.00 C ATOM 689 CG PHE A 42 1.837 1.760 -9.532 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.400 1.994 -10.776 1.00 0.00 C ATOM 691 CD2 PHE A 42 2.037 0.528 -8.931 1.00 0.00 C ATOM 692 CE1 PHE A 42 3.146 1.017 -11.409 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.782 -0.453 -9.558 1.00 0.00 C ATOM 694 CZ PHE A 42 3.338 -0.207 -10.799 1.00 0.00 C ATOM 0 H PHE A 42 -0.950 3.761 -7.459 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.510 3.174 -10.309 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.469 3.797 -9.056 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.083 2.673 -7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.255 2.950 -11.257 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.606 0.332 -7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.578 1.211 -12.380 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.929 -1.410 -9.079 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.922 -0.971 -11.291 1.00 0.00 H new ATOM 704 N HIS A 43 -1.744 1.026 -10.220 1.00 0.00 N ATOM 705 CA HIS A 43 -2.358 -0.297 -10.254 1.00 0.00 C ATOM 706 C HIS A 43 -1.530 -1.259 -11.101 1.00 0.00 C ATOM 707 O HIS A 43 -1.672 -2.478 -10.991 1.00 0.00 O ATOM 708 CB HIS A 43 -3.781 -0.207 -10.807 1.00 0.00 C ATOM 709 CG HIS A 43 -4.744 -1.138 -10.137 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.107 -1.081 -10.334 1.00 0.00 N ATOM 711 CD2 HIS A 43 -4.533 -2.155 -9.268 1.00 0.00 C ATOM 712 CE1 HIS A 43 -6.694 -2.021 -9.615 1.00 0.00 C ATOM 713 NE2 HIS A 43 -5.761 -2.687 -8.959 1.00 0.00 N ATOM 0 H HIS A 43 -1.913 1.591 -11.052 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.396 -0.680 -9.234 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.141 0.816 -10.697 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.761 -0.424 -11.875 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.577 -2.486 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.756 -2.212 -9.571 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.926 -3.469 -8.326 1.00 0.00 H new ATOM 721 N LEU A 44 -0.667 -0.704 -11.945 1.00 0.00 N ATOM 722 CA LEU A 44 0.183 -1.513 -12.811 1.00 0.00 C ATOM 723 C LEU A 44 0.904 -2.594 -12.012 1.00 0.00 C ATOM 724 O LEU A 44 1.105 -2.457 -10.805 1.00 0.00 O ATOM 725 CB LEU A 44 1.204 -0.627 -13.528 1.00 0.00 C ATOM 726 CG LEU A 44 1.423 -0.922 -15.012 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.641 0.368 -15.787 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.604 -1.864 -15.199 1.00 0.00 C ATOM 0 H LEU A 44 -0.538 0.303 -12.048 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.453 -1.998 -13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.888 0.411 -13.427 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.161 -0.721 -13.014 1.00 0.00 H new ATOM 0 HG LEU A 44 0.529 -1.409 -15.402 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.795 0.138 -16.841 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.766 1.009 -15.680 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.518 0.883 -15.396 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.746 -2.063 -16.261 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.505 -1.403 -14.793 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.409 -2.801 -14.677 1.00 0.00 H new ATOM 740 N SER A 45 1.292 -3.667 -12.693 1.00 0.00 N ATOM 741 CA SER A 45 1.989 -4.772 -12.046 1.00 0.00 C ATOM 742 C SER A 45 1.123 -5.398 -10.957 1.00 0.00 C ATOM 743 O SER A 45 0.106 -4.843 -10.542 1.00 0.00 O ATOM 744 CB SER A 45 3.311 -4.288 -11.446 1.00 0.00 C ATOM 745 OG SER A 45 4.417 -4.850 -12.131 1.00 0.00 O ATOM 0 H SER A 45 1.136 -3.795 -13.693 1.00 0.00 H new ATOM 0 HA SER A 45 2.197 -5.530 -12.802 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.361 -3.200 -11.498 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.356 -4.559 -10.391 1.00 0.00 H new ATOM 0 HG SER A 45 5.172 -4.943 -11.513 1.00 0.00 H new ATOM 751 N PRO A 46 1.535 -6.583 -10.483 1.00 0.00 N ATOM 752 CA PRO A 46 0.812 -7.311 -9.436 1.00 0.00 C ATOM 753 C PRO A 46 0.909 -6.624 -8.079 1.00 0.00 C ATOM 754 O PRO A 46 0.289 -7.057 -7.107 1.00 0.00 O ATOM 755 CB PRO A 46 1.515 -8.670 -9.399 1.00 0.00 C ATOM 756 CG PRO A 46 2.886 -8.401 -9.916 1.00 0.00 C ATOM 757 CD PRO A 46 2.738 -7.303 -10.932 1.00 0.00 C ATOM 0 HA PRO A 46 -0.256 -7.373 -9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.546 -9.073 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.995 -9.402 -10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.555 -8.099 -9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.315 -9.295 -10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.612 -6.652 -10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.615 -7.701 -11.939 1.00 0.00 H new ATOM 765 N TYR A 47 1.690 -5.551 -8.019 1.00 0.00 N ATOM 766 CA TYR A 47 1.870 -4.805 -6.779 1.00 0.00 C ATOM 767 C TYR A 47 1.198 -3.438 -6.864 1.00 0.00 C ATOM 768 O TYR A 47 1.413 -2.685 -7.814 1.00 0.00 O ATOM 769 CB TYR A 47 3.359 -4.635 -6.474 1.00 0.00 C ATOM 770 CG TYR A 47 4.155 -5.914 -6.608 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.681 -7.109 -6.081 1.00 0.00 C ATOM 772 CD2 TYR A 47 5.381 -5.927 -7.262 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.405 -8.279 -6.201 1.00 0.00 C ATOM 774 CE2 TYR A 47 6.111 -7.093 -7.388 1.00 0.00 C ATOM 775 CZ TYR A 47 5.619 -8.266 -6.855 1.00 0.00 C ATOM 776 OH TYR A 47 6.343 -9.430 -6.977 1.00 0.00 O ATOM 0 H TYR A 47 2.208 -5.178 -8.814 1.00 0.00 H new ATOM 0 HA TYR A 47 1.403 -5.370 -5.973 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.776 -3.886 -7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.472 -4.251 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.730 -7.123 -5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.770 -5.010 -7.679 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.022 -9.199 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.061 -7.086 -7.901 1.00 0.00 H new ATOM 0 HH TYR A 47 7.173 -9.249 -7.465 1.00 0.00 H new ATOM 786 N TYR A 48 0.383 -3.125 -5.863 1.00 0.00 N ATOM 787 CA TYR A 48 -0.323 -1.850 -5.823 1.00 0.00 C ATOM 788 C TYR A 48 0.457 -0.819 -5.013 1.00 0.00 C ATOM 789 O TYR A 48 0.887 -1.090 -3.891 1.00 0.00 O ATOM 790 CB TYR A 48 -1.719 -2.035 -5.224 1.00 0.00 C ATOM 791 CG TYR A 48 -2.510 -0.750 -5.124 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.329 0.119 -4.054 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.438 -0.405 -6.098 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.050 1.293 -3.958 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.162 0.768 -6.011 1.00 0.00 C ATOM 796 CZ TYR A 48 -3.965 1.614 -4.939 1.00 0.00 C ATOM 797 OH TYR A 48 -4.685 2.783 -4.848 1.00 0.00 O ATOM 0 H TYR A 48 0.195 -3.737 -5.069 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.418 -1.485 -6.846 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.275 -2.748 -5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.624 -2.472 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.612 -0.128 -3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.596 -1.065 -6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.898 1.956 -3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.879 1.022 -6.778 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.815 3.014 -3.905 1.00 0.00 H new ATOM 807 N LEU A 49 0.637 0.364 -5.589 1.00 0.00 N ATOM 808 CA LEU A 49 1.365 1.438 -4.923 1.00 0.00 C ATOM 809 C LEU A 49 0.561 2.734 -4.941 1.00 0.00 C ATOM 810 O LEU A 49 -0.127 3.035 -5.916 1.00 0.00 O ATOM 811 CB LEU A 49 2.721 1.655 -5.596 1.00 0.00 C ATOM 812 CG LEU A 49 3.729 2.501 -4.817 1.00 0.00 C ATOM 813 CD1 LEU A 49 3.388 3.979 -4.931 1.00 0.00 C ATOM 814 CD2 LEU A 49 3.769 2.073 -3.357 1.00 0.00 C ATOM 0 H LEU A 49 0.288 0.604 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 49 1.525 1.146 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.168 0.680 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.552 2.127 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 49 4.717 2.343 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.116 4.565 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.411 4.278 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.392 4.155 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.492 2.686 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.782 2.201 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.062 1.025 -3.293 1.00 0.00 H new ATOM 826 N ARG A 50 0.656 3.498 -3.857 1.00 0.00 N ATOM 827 CA ARG A 50 -0.061 4.763 -3.749 1.00 0.00 C ATOM 828 C ARG A 50 0.911 5.927 -3.583 1.00 0.00 C ATOM 829 O ARG A 50 1.830 5.870 -2.765 1.00 0.00 O ATOM 830 CB ARG A 50 -1.033 4.723 -2.569 1.00 0.00 C ATOM 831 CG ARG A 50 -2.133 5.769 -2.650 1.00 0.00 C ATOM 832 CD ARG A 50 -3.444 5.243 -2.087 1.00 0.00 C ATOM 833 NE ARG A 50 -3.506 5.371 -0.633 1.00 0.00 N ATOM 834 CZ ARG A 50 -4.513 4.912 0.102 1.00 0.00 C ATOM 835 NH1 ARG A 50 -5.536 4.299 -0.476 1.00 0.00 N ATOM 836 NH2 ARG A 50 -4.497 5.066 1.420 1.00 0.00 N ATOM 0 H ARG A 50 1.222 3.263 -3.042 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.624 4.912 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.487 3.734 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.474 4.866 -1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.831 6.660 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.276 6.069 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.275 5.788 -2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.563 4.196 -2.364 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.734 5.838 -0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.552 4.178 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.307 3.948 0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.711 5.537 1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.270 4.714 1.984 1.00 0.00 H new ATOM 850 N LEU A 51 0.703 6.981 -4.363 1.00 0.00 N ATOM 851 CA LEU A 51 1.561 8.160 -4.303 1.00 0.00 C ATOM 852 C LEU A 51 0.757 9.399 -3.923 1.00 0.00 C ATOM 853 O LEU A 51 -0.139 9.819 -4.656 1.00 0.00 O ATOM 854 CB LEU A 51 2.254 8.379 -5.648 1.00 0.00 C ATOM 855 CG LEU A 51 3.299 7.335 -6.044 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.929 7.690 -7.381 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.366 7.213 -4.965 1.00 0.00 C ATOM 0 H LEU A 51 -0.053 7.044 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 51 2.317 7.991 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.491 8.413 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.735 9.357 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 51 2.801 6.371 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.670 6.936 -7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.157 7.725 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.413 8.664 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.101 6.466 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.860 8.175 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.901 6.910 -4.027 1.00 0.00 H new ATOM 869 N ARG A 52 1.086 9.983 -2.775 1.00 0.00 N ATOM 870 CA ARG A 52 0.396 11.175 -2.299 1.00 0.00 C ATOM 871 C ARG A 52 1.321 12.388 -2.333 1.00 0.00 C ATOM 872 O ARG A 52 2.209 12.528 -1.492 1.00 0.00 O ATOM 873 CB ARG A 52 -0.124 10.956 -0.877 1.00 0.00 C ATOM 874 CG ARG A 52 -1.255 11.896 -0.491 1.00 0.00 C ATOM 875 CD ARG A 52 -0.725 13.178 0.132 1.00 0.00 C ATOM 876 NE ARG A 52 -0.231 12.964 1.489 1.00 0.00 N ATOM 877 CZ ARG A 52 0.129 13.950 2.304 1.00 0.00 C ATOM 878 NH1 ARG A 52 0.049 15.210 1.901 1.00 0.00 N ATOM 879 NH2 ARG A 52 0.569 13.675 3.525 1.00 0.00 N ATOM 0 H ARG A 52 1.826 9.649 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.448 11.365 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.469 9.927 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.699 11.084 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.847 12.137 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.921 11.396 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.078 13.577 -0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.517 13.927 0.148 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.158 12.005 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.290 15.425 0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.326 15.965 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.631 12.706 3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.845 14.432 4.150 1.00 0.00 H new ATOM 893 N PHE A 53 1.106 13.263 -3.310 1.00 0.00 N ATOM 894 CA PHE A 53 1.921 14.464 -3.454 1.00 0.00 C ATOM 895 C PHE A 53 1.249 15.660 -2.787 1.00 0.00 C ATOM 896 O PHE A 53 0.030 15.708 -2.623 1.00 0.00 O ATOM 897 CB PHE A 53 2.168 14.763 -4.934 1.00 0.00 C ATOM 898 CG PHE A 53 2.738 13.599 -5.694 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.528 12.658 -5.055 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.483 13.447 -7.048 1.00 0.00 C ATOM 901 CE1 PHE A 53 4.054 11.585 -5.751 1.00 0.00 C ATOM 902 CE2 PHE A 53 3.006 12.377 -7.749 1.00 0.00 C ATOM 903 CZ PHE A 53 3.793 11.446 -7.100 1.00 0.00 C ATOM 0 H PHE A 53 0.374 13.163 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 53 2.877 14.286 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.228 15.064 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.850 15.609 -5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.736 12.763 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.869 14.173 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.668 10.857 -5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.799 12.269 -8.804 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.204 10.610 -7.647 1.00 0.00 H new ATOM 913 N PRO A 54 2.063 16.650 -2.392 1.00 0.00 N ATOM 914 CA PRO A 54 1.570 17.866 -1.736 1.00 0.00 C ATOM 915 C PRO A 54 0.784 18.760 -2.688 1.00 0.00 C ATOM 916 O PRO A 54 0.169 19.741 -2.269 1.00 0.00 O ATOM 917 CB PRO A 54 2.852 18.567 -1.280 1.00 0.00 C ATOM 918 CG PRO A 54 3.905 18.074 -2.211 1.00 0.00 C ATOM 919 CD PRO A 54 3.526 16.660 -2.555 1.00 0.00 C ATOM 0 HA PRO A 54 0.879 17.640 -0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.751 19.651 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.091 18.321 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.955 18.693 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.888 18.111 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.819 16.402 -3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.009 15.942 -1.892 1.00 0.00 H new ATOM 927 N HIS A 55 0.806 18.415 -3.971 1.00 0.00 N ATOM 928 CA HIS A 55 0.094 19.187 -4.983 1.00 0.00 C ATOM 929 C HIS A 55 -1.039 18.367 -5.594 1.00 0.00 C ATOM 930 O HIS A 55 -1.334 17.263 -5.137 1.00 0.00 O ATOM 931 CB HIS A 55 1.057 19.642 -6.080 1.00 0.00 C ATOM 932 CG HIS A 55 2.139 20.553 -5.586 1.00 0.00 C ATOM 933 ND1 HIS A 55 3.374 20.281 -5.104 1.00 0.00 N flip ATOM 934 CD2 HIS A 55 2.009 21.926 -5.549 1.00 0.00 C flip ATOM 935 CE1 HIS A 55 3.963 21.481 -4.790 1.00 0.00 C flip ATOM 936 NE2 HIS A 55 3.118 22.458 -5.069 1.00 0.00 N flip ATOM 0 H HIS A 55 1.309 17.606 -4.335 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.335 20.065 -4.499 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.513 18.765 -6.539 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.492 20.152 -6.860 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.136 22.479 -5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.955 21.606 -4.382 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.293 23.454 -4.936 1.00 0.00 H new ATOM 944 N GLU A 56 -1.670 18.916 -6.627 1.00 0.00 N ATOM 945 CA GLU A 56 -2.771 18.235 -7.298 1.00 0.00 C ATOM 946 C GLU A 56 -2.494 18.094 -8.792 1.00 0.00 C ATOM 947 O GLU A 56 -2.310 19.086 -9.498 1.00 0.00 O ATOM 948 CB GLU A 56 -4.080 18.999 -7.082 1.00 0.00 C ATOM 949 CG GLU A 56 -3.941 20.503 -7.246 1.00 0.00 C ATOM 950 CD GLU A 56 -5.269 21.227 -7.139 1.00 0.00 C ATOM 951 OE1 GLU A 56 -6.308 20.543 -7.022 1.00 0.00 O ATOM 952 OE2 GLU A 56 -5.270 22.475 -7.173 1.00 0.00 O ATOM 0 H GLU A 56 -1.438 19.829 -7.017 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.864 17.238 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.826 18.632 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.455 18.784 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.260 20.886 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.491 20.719 -8.215 1.00 0.00 H new ATOM 959 N LEU A 57 -2.464 16.853 -9.267 1.00 0.00 N ATOM 960 CA LEU A 57 -2.209 16.580 -10.677 1.00 0.00 C ATOM 961 C LEU A 57 -3.515 16.376 -11.438 1.00 0.00 C ATOM 962 O LEU A 57 -4.600 16.453 -10.860 1.00 0.00 O ATOM 963 CB LEU A 57 -1.321 15.342 -10.824 1.00 0.00 C ATOM 964 CG LEU A 57 -0.095 15.284 -9.912 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.173 13.853 -9.471 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.122 15.864 -10.617 1.00 0.00 C ATOM 0 H LEU A 57 -2.613 16.021 -8.696 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.694 17.442 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.930 14.458 -10.637 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.983 15.283 -11.858 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.296 15.885 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.049 13.830 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.691 13.472 -8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.354 13.230 -10.347 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.985 15.815 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.326 15.291 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.928 16.903 -10.883 1.00 0.00 H new ATOM 978 N ILE A 58 -3.403 16.113 -12.735 1.00 0.00 N ATOM 979 CA ILE A 58 -4.575 15.895 -13.574 1.00 0.00 C ATOM 980 C ILE A 58 -4.340 14.757 -14.562 1.00 0.00 C ATOM 981 O ILE A 58 -3.237 14.590 -15.081 1.00 0.00 O ATOM 982 CB ILE A 58 -4.954 17.167 -14.354 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.140 16.889 -15.281 1.00 0.00 C ATOM 984 CG2 ILE A 58 -3.762 17.675 -15.150 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.769 18.142 -15.850 1.00 0.00 C ATOM 0 H ILE A 58 -2.513 16.046 -13.228 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.395 15.630 -12.907 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.246 17.938 -13.641 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.808 16.254 -16.102 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.897 16.330 -14.731 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.046 18.575 -15.696 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.942 17.907 -14.470 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.442 16.908 -15.856 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.602 17.869 -16.497 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.132 18.769 -15.036 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.026 18.692 -16.428 1.00 0.00 H new ATOM 997 N ASP A 59 -5.386 13.978 -14.818 1.00 0.00 N ATOM 998 CA ASP A 59 -5.294 12.857 -15.746 1.00 0.00 C ATOM 999 C ASP A 59 -5.906 13.219 -17.096 1.00 0.00 C ATOM 1000 O ASP A 59 -7.122 13.155 -17.275 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.997 11.629 -15.166 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.430 10.649 -16.239 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.552 10.146 -16.971 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.646 10.386 -16.348 1.00 0.00 O ATOM 0 H ASP A 59 -6.306 14.102 -14.396 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.239 12.625 -15.895 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.327 11.127 -14.468 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.870 11.949 -14.596 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.054 13.598 -18.043 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.511 13.970 -19.377 1.00 0.00 C ATOM 1011 C ASP A 60 -4.997 12.984 -20.421 1.00 0.00 C ATOM 1012 O ASP A 60 -4.395 11.966 -20.083 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.046 15.386 -19.722 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.171 16.399 -19.645 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.111 16.183 -18.852 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -6.112 17.408 -20.379 1.00 0.00 O ATOM 0 H ASP A 60 -4.044 13.656 -17.912 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.601 13.943 -19.382 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.249 15.680 -19.039 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.624 15.392 -20.727 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.239 13.295 -21.691 1.00 0.00 N ATOM 1022 CA GLU A 61 -4.802 12.434 -22.784 1.00 0.00 C ATOM 1023 C GLU A 61 -3.281 12.316 -22.808 1.00 0.00 C ATOM 1024 O GLU A 61 -2.735 11.276 -23.177 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.303 12.979 -24.123 1.00 0.00 C ATOM 1026 CG GLU A 61 -6.731 13.498 -24.073 1.00 0.00 C ATOM 1027 CD GLU A 61 -7.315 13.731 -25.453 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -6.723 14.515 -26.223 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -8.365 13.129 -25.762 1.00 0.00 O ATOM 0 H GLU A 61 -5.735 14.136 -21.988 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.224 11.442 -22.623 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.644 13.784 -24.448 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.238 12.191 -24.874 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.354 12.784 -23.534 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.755 14.431 -23.510 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.603 13.389 -22.414 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.146 13.406 -22.391 1.00 0.00 C ATOM 1038 C ARG A 62 -0.606 12.425 -21.354 1.00 0.00 C ATOM 1039 O ARG A 62 0.427 11.790 -21.565 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.636 14.816 -22.089 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.379 15.502 -20.954 1.00 0.00 C ATOM 1042 CD ARG A 62 -2.207 16.674 -21.459 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.508 17.946 -21.303 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.830 18.537 -22.281 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.762 17.973 -23.479 1.00 0.00 N ATOM 1046 NH2 ARG A 62 -0.220 19.695 -22.062 1.00 0.00 N ATOM 0 H ARG A 62 -3.040 14.258 -22.106 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.789 13.101 -23.375 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.424 14.764 -21.839 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.722 15.425 -22.989 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.030 14.783 -20.456 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.664 15.854 -20.210 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.449 16.520 -22.511 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.152 16.711 -20.916 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.542 18.406 -20.393 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.231 17.084 -23.651 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.241 18.429 -24.228 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.271 20.132 -21.142 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.300 20.148 -22.814 1.00 0.00 H new ATOM 1060 N SER A 63 -1.312 12.309 -20.234 1.00 0.00 N ATOM 1061 CA SER A 63 -0.902 11.409 -19.162 1.00 0.00 C ATOM 1062 C SER A 63 -0.962 9.955 -19.620 1.00 0.00 C ATOM 1063 O SER A 63 -1.944 9.521 -20.224 1.00 0.00 O ATOM 1064 CB SER A 63 -1.792 11.606 -17.934 1.00 0.00 C ATOM 1065 OG SER A 63 -2.371 12.899 -17.925 1.00 0.00 O ATOM 0 H SER A 63 -2.170 12.827 -20.045 1.00 0.00 H new ATOM 0 HA SER A 63 0.128 11.646 -18.897 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.579 10.852 -17.927 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.204 11.461 -17.028 1.00 0.00 H new ATOM 0 HG SER A 63 -2.370 13.252 -17.011 1.00 0.00 H new ATOM 1071 N THR A 64 0.097 9.205 -19.330 1.00 0.00 N ATOM 1072 CA THR A 64 0.167 7.801 -19.712 1.00 0.00 C ATOM 1073 C THR A 64 1.456 7.159 -19.214 1.00 0.00 C ATOM 1074 O THR A 64 2.419 7.851 -18.885 1.00 0.00 O ATOM 1075 CB THR A 64 0.078 7.629 -21.240 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.190 6.244 -21.585 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.174 8.421 -21.938 1.00 0.00 C ATOM 0 H THR A 64 0.918 9.548 -18.831 1.00 0.00 H new ATOM 0 HA THR A 64 -0.685 7.305 -19.248 1.00 0.00 H new ATOM 0 HB THR A 64 -0.889 8.008 -21.570 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.131 6.143 -22.558 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.091 8.284 -23.016 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.068 9.479 -21.697 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.149 8.068 -21.601 1.00 0.00 H new ATOM 1085 N ALA A 65 1.469 5.831 -19.162 1.00 0.00 N ATOM 1086 CA ALA A 65 2.642 5.095 -18.706 1.00 0.00 C ATOM 1087 C ALA A 65 3.035 4.014 -19.706 1.00 0.00 C ATOM 1088 O ALA A 65 2.175 3.369 -20.305 1.00 0.00 O ATOM 1089 CB ALA A 65 2.382 4.483 -17.338 1.00 0.00 C ATOM 0 H ALA A 65 0.680 5.243 -19.430 1.00 0.00 H new ATOM 0 HA ALA A 65 3.472 5.797 -18.626 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.266 3.936 -17.010 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.158 5.274 -16.622 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.535 3.799 -17.400 1.00 0.00 H new ATOM 1095 N GLN A 66 4.338 3.821 -19.882 1.00 0.00 N ATOM 1096 CA GLN A 66 4.843 2.818 -20.811 1.00 0.00 C ATOM 1097 C GLN A 66 5.761 1.829 -20.099 1.00 0.00 C ATOM 1098 O GLN A 66 6.459 2.187 -19.151 1.00 0.00 O ATOM 1099 CB GLN A 66 5.593 3.490 -21.962 1.00 0.00 C ATOM 1100 CG GLN A 66 4.786 4.569 -22.667 1.00 0.00 C ATOM 1101 CD GLN A 66 3.846 4.004 -23.713 1.00 0.00 C ATOM 1102 OE1 GLN A 66 3.784 2.792 -23.920 1.00 0.00 O ATOM 1103 NE2 GLN A 66 3.107 4.883 -24.381 1.00 0.00 N ATOM 0 H GLN A 66 5.063 4.346 -19.393 1.00 0.00 H new ATOM 0 HA GLN A 66 3.991 2.270 -21.213 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.513 3.929 -21.577 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.882 2.731 -22.689 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.209 5.127 -21.929 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.467 5.276 -23.140 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.190 5.879 -24.177 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.456 4.562 -25.098 1.00 0.00 H new ATOM 1112 N TYR A 67 5.754 0.585 -20.563 1.00 0.00 N ATOM 1113 CA TYR A 67 6.584 -0.457 -19.969 1.00 0.00 C ATOM 1114 C TYR A 67 7.969 -0.481 -20.608 1.00 0.00 C ATOM 1115 O TYR A 67 8.100 -0.557 -21.830 1.00 0.00 O ATOM 1116 CB TYR A 67 5.914 -1.823 -20.125 1.00 0.00 C ATOM 1117 CG TYR A 67 6.839 -2.986 -19.849 1.00 0.00 C ATOM 1118 CD1 TYR A 67 7.733 -2.952 -18.785 1.00 0.00 C ATOM 1119 CD2 TYR A 67 6.819 -4.121 -20.651 1.00 0.00 C ATOM 1120 CE1 TYR A 67 8.581 -4.012 -18.530 1.00 0.00 C ATOM 1121 CE2 TYR A 67 7.663 -5.186 -20.402 1.00 0.00 C ATOM 1122 CZ TYR A 67 8.542 -5.127 -19.341 1.00 0.00 C ATOM 1123 OH TYR A 67 9.384 -6.186 -19.089 1.00 0.00 O ATOM 0 H TYR A 67 5.183 0.273 -21.349 1.00 0.00 H new ATOM 0 HA TYR A 67 6.697 -0.235 -18.908 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.061 -1.879 -19.448 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.523 -1.913 -21.139 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.765 -2.081 -18.147 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.132 -4.171 -21.483 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.271 -3.968 -17.700 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.635 -6.060 -21.035 1.00 0.00 H new ATOM 0 HH TYR A 67 9.229 -6.892 -19.751 1.00 0.00 H new ATOM 1133 N ASP A 68 9.000 -0.417 -19.773 1.00 0.00 N ATOM 1134 CA ASP A 68 10.376 -0.432 -20.254 1.00 0.00 C ATOM 1135 C ASP A 68 10.975 -1.831 -20.142 1.00 0.00 C ATOM 1136 O ASP A 68 11.114 -2.371 -19.045 1.00 0.00 O ATOM 1137 CB ASP A 68 11.227 0.565 -19.466 1.00 0.00 C ATOM 1138 CG ASP A 68 11.106 1.978 -20.000 1.00 0.00 C ATOM 1139 OD1 ASP A 68 10.472 2.159 -21.060 1.00 0.00 O ATOM 1140 OD2 ASP A 68 11.646 2.904 -19.358 1.00 0.00 O ATOM 0 H ASP A 68 8.909 -0.354 -18.759 1.00 0.00 H new ATOM 0 HA ASP A 68 10.370 -0.141 -21.304 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.925 0.548 -18.419 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.271 0.255 -19.501 1.00 0.00 H new ATOM 1145 N SER A 69 11.327 -2.412 -21.285 1.00 0.00 N ATOM 1146 CA SER A 69 11.906 -3.750 -21.315 1.00 0.00 C ATOM 1147 C SER A 69 13.420 -3.691 -21.133 1.00 0.00 C ATOM 1148 O SER A 69 13.997 -4.470 -20.375 1.00 0.00 O ATOM 1149 CB SER A 69 11.566 -4.446 -22.635 1.00 0.00 C ATOM 1150 OG SER A 69 11.606 -3.533 -23.718 1.00 0.00 O ATOM 0 H SER A 69 11.221 -1.977 -22.202 1.00 0.00 H new ATOM 0 HA SER A 69 11.481 -4.322 -20.491 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.271 -5.258 -22.814 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.574 -4.893 -22.569 1.00 0.00 H new ATOM 0 HG SER A 69 11.387 -4.002 -24.550 1.00 0.00 H new ATOM 1156 N LYS A 70 14.058 -2.760 -21.835 1.00 0.00 N ATOM 1157 CA LYS A 70 15.504 -2.596 -21.752 1.00 0.00 C ATOM 1158 C LYS A 70 15.941 -2.339 -20.314 1.00 0.00 C ATOM 1159 O LYS A 70 17.102 -2.546 -19.961 1.00 0.00 O ATOM 1160 CB LYS A 70 15.959 -1.441 -22.648 1.00 0.00 C ATOM 1161 CG LYS A 70 15.544 -0.073 -22.135 1.00 0.00 C ATOM 1162 CD LYS A 70 14.295 0.431 -22.838 1.00 0.00 C ATOM 1163 CE LYS A 70 13.432 1.270 -21.907 1.00 0.00 C ATOM 1164 NZ LYS A 70 13.808 2.710 -21.952 1.00 0.00 N ATOM 0 H LYS A 70 13.596 -2.107 -22.468 1.00 0.00 H new ATOM 0 HA LYS A 70 15.969 -3.520 -22.095 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.045 -1.471 -22.741 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.549 -1.585 -23.648 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.362 -0.126 -21.062 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.358 0.636 -22.286 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.580 1.025 -23.706 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.717 -0.416 -23.207 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.384 1.159 -22.185 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.532 0.900 -20.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.198 3.249 -21.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.801 2.819 -21.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.688 3.070 -22.920 1.00 0.00 H new ATOM 1178 N ASP A 71 15.004 -1.888 -19.487 1.00 0.00 N ATOM 1179 CA ASP A 71 15.291 -1.606 -18.086 1.00 0.00 C ATOM 1180 C ASP A 71 14.373 -2.409 -17.170 1.00 0.00 C ATOM 1181 O ASP A 71 14.538 -2.402 -15.950 1.00 0.00 O ATOM 1182 CB ASP A 71 15.135 -0.111 -17.802 1.00 0.00 C ATOM 1183 CG ASP A 71 15.778 0.300 -16.492 1.00 0.00 C ATOM 1184 OD1 ASP A 71 16.415 -0.560 -15.848 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.646 1.482 -16.112 1.00 0.00 O ATOM 0 H ASP A 71 14.038 -1.710 -19.763 1.00 0.00 H new ATOM 0 HA ASP A 71 16.321 -1.900 -17.886 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.581 0.459 -18.617 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.075 0.143 -17.778 1.00 0.00 H new ATOM 1190 N GLU A 72 13.407 -3.100 -17.767 1.00 0.00 N ATOM 1191 CA GLU A 72 12.462 -3.907 -17.003 1.00 0.00 C ATOM 1192 C GLU A 72 11.742 -3.058 -15.959 1.00 0.00 C ATOM 1193 O GLU A 72 11.249 -3.576 -14.956 1.00 0.00 O ATOM 1194 CB GLU A 72 13.185 -5.070 -16.321 1.00 0.00 C ATOM 1195 CG GLU A 72 13.960 -5.954 -17.284 1.00 0.00 C ATOM 1196 CD GLU A 72 15.090 -6.703 -16.606 1.00 0.00 C ATOM 1197 OE1 GLU A 72 15.305 -6.486 -15.396 1.00 0.00 O ATOM 1198 OE2 GLU A 72 15.760 -7.507 -17.288 1.00 0.00 O ATOM 0 H GLU A 72 13.258 -3.117 -18.776 1.00 0.00 H new ATOM 0 HA GLU A 72 11.721 -4.306 -17.696 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.872 -4.672 -15.574 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.454 -5.680 -15.790 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.278 -6.670 -17.743 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.367 -5.340 -18.088 1.00 0.00 H new ATOM 1205 N CYS A 73 11.685 -1.754 -16.202 1.00 0.00 N ATOM 1206 CA CYS A 73 11.027 -0.832 -15.283 1.00 0.00 C ATOM 1207 C CYS A 73 9.759 -0.256 -15.906 1.00 0.00 C ATOM 1208 O CYS A 73 9.450 -0.524 -17.067 1.00 0.00 O ATOM 1209 CB CYS A 73 11.978 0.300 -14.894 1.00 0.00 C ATOM 1210 SG CYS A 73 13.431 -0.244 -13.965 1.00 0.00 S ATOM 0 H CYS A 73 12.087 -1.311 -17.028 1.00 0.00 H new ATOM 0 HA CYS A 73 10.750 -1.387 -14.387 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.308 0.810 -15.799 1.00 0.00 H new ATOM 0 HB3 CYS A 73 11.431 1.031 -14.298 1.00 0.00 H new ATOM 0 HG CYS A 73 14.052 -1.170 -14.634 1.00 0.00 H new ATOM 1216 N ILE A 74 9.030 0.534 -15.126 1.00 0.00 N ATOM 1217 CA ILE A 74 7.796 1.148 -15.602 1.00 0.00 C ATOM 1218 C ILE A 74 7.854 2.666 -15.480 1.00 0.00 C ATOM 1219 O ILE A 74 8.225 3.201 -14.436 1.00 0.00 O ATOM 1220 CB ILE A 74 6.573 0.628 -14.823 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.550 -0.902 -14.829 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.289 1.185 -15.420 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.232 -1.497 -16.183 1.00 0.00 C ATOM 0 H ILE A 74 9.272 0.764 -14.162 1.00 0.00 H new ATOM 0 HA ILE A 74 7.692 0.875 -16.652 1.00 0.00 H new ATOM 0 HB ILE A 74 6.647 0.967 -13.790 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.520 -1.273 -14.497 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.811 -1.249 -14.106 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.434 0.809 -14.859 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.306 2.274 -15.369 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.206 0.872 -16.461 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.233 -2.585 -16.112 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.249 -1.156 -16.509 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.984 -1.180 -16.905 1.00 0.00 H new ATOM 1235 N ASN A 75 7.483 3.356 -16.554 1.00 0.00 N ATOM 1236 CA ASN A 75 7.492 4.814 -16.567 1.00 0.00 C ATOM 1237 C ASN A 75 6.070 5.366 -16.607 1.00 0.00 C ATOM 1238 O ASN A 75 5.287 5.031 -17.497 1.00 0.00 O ATOM 1239 CB ASN A 75 8.285 5.329 -17.769 1.00 0.00 C ATOM 1240 CG ASN A 75 7.828 4.706 -19.074 1.00 0.00 C ATOM 1241 OD1 ASN A 75 6.770 5.049 -19.602 1.00 0.00 O ATOM 1242 ND2 ASN A 75 8.625 3.783 -19.600 1.00 0.00 N ATOM 0 H ASN A 75 7.172 2.929 -17.426 1.00 0.00 H new ATOM 0 HA ASN A 75 7.971 5.158 -15.650 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.182 6.412 -17.831 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.344 5.117 -17.620 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.369 3.328 -20.476 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.493 3.530 -19.128 1.00 0.00 H new ATOM 1249 N VAL A 76 5.743 6.215 -15.638 1.00 0.00 N ATOM 1250 CA VAL A 76 4.416 6.815 -15.563 1.00 0.00 C ATOM 1251 C VAL A 76 4.486 8.327 -15.750 1.00 0.00 C ATOM 1252 O VAL A 76 5.269 9.010 -15.089 1.00 0.00 O ATOM 1253 CB VAL A 76 3.735 6.506 -14.217 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.273 6.924 -14.249 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.869 5.029 -13.880 1.00 0.00 C ATOM 0 H VAL A 76 6.379 6.503 -14.894 1.00 0.00 H new ATOM 0 HA VAL A 76 3.825 6.379 -16.368 1.00 0.00 H new ATOM 0 HB VAL A 76 4.234 7.080 -13.437 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.809 6.698 -13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.205 7.995 -14.442 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.756 6.380 -15.039 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.382 4.828 -12.926 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.396 4.433 -14.661 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.925 4.766 -13.811 1.00 0.00 H new ATOM 1265 N LYS A 77 3.662 8.845 -16.654 1.00 0.00 N ATOM 1266 CA LYS A 77 3.627 10.276 -16.928 1.00 0.00 C ATOM 1267 C LYS A 77 2.310 10.888 -16.461 1.00 0.00 C ATOM 1268 O LYS A 77 1.247 10.286 -16.612 1.00 0.00 O ATOM 1269 CB LYS A 77 3.820 10.535 -18.424 1.00 0.00 C ATOM 1270 CG LYS A 77 3.895 12.010 -18.781 1.00 0.00 C ATOM 1271 CD LYS A 77 2.524 12.573 -19.117 1.00 0.00 C ATOM 1272 CE LYS A 77 2.630 13.816 -19.986 1.00 0.00 C ATOM 1273 NZ LYS A 77 2.529 15.065 -19.181 1.00 0.00 N ATOM 0 H LYS A 77 3.008 8.294 -17.210 1.00 0.00 H new ATOM 0 HA LYS A 77 4.441 10.746 -16.376 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.735 10.043 -18.754 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.996 10.078 -18.973 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.323 12.566 -17.947 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.563 12.146 -19.631 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.935 11.815 -19.634 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.993 12.816 -18.196 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.579 13.805 -20.522 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.840 13.803 -20.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.957 15.764 -19.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.079 14.854 -18.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.481 15.450 -19.017 1.00 0.00 H new ATOM 1287 N VAL A 78 2.388 12.088 -15.894 1.00 0.00 N ATOM 1288 CA VAL A 78 1.201 12.782 -15.408 1.00 0.00 C ATOM 1289 C VAL A 78 1.378 14.294 -15.488 1.00 0.00 C ATOM 1290 O VAL A 78 2.369 14.840 -15.005 1.00 0.00 O ATOM 1291 CB VAL A 78 0.879 12.390 -13.954 1.00 0.00 C ATOM 1292 CG1 VAL A 78 2.079 12.639 -13.054 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.339 13.153 -13.455 1.00 0.00 C ATOM 0 H VAL A 78 3.260 12.599 -15.760 1.00 0.00 H new ATOM 0 HA VAL A 78 0.373 12.482 -16.050 1.00 0.00 H new ATOM 0 HB VAL A 78 0.650 11.325 -13.926 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.831 12.356 -12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.924 12.044 -13.401 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.343 13.696 -13.084 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.553 12.864 -12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.140 14.224 -13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.198 12.918 -14.084 1.00 0.00 H new ATOM 1303 N ALA A 79 0.409 14.966 -16.101 1.00 0.00 N ATOM 1304 CA ALA A 79 0.456 16.416 -16.242 1.00 0.00 C ATOM 1305 C ALA A 79 0.025 17.107 -14.953 1.00 0.00 C ATOM 1306 O ALA A 79 -0.771 16.569 -14.184 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.423 16.862 -17.402 1.00 0.00 C ATOM 0 H ALA A 79 -0.418 14.529 -16.508 1.00 0.00 H new ATOM 0 HA ALA A 79 1.487 16.703 -16.450 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.379 17.947 -17.496 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.068 16.403 -18.325 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.453 16.556 -17.217 1.00 0.00 H new ATOM 1313 N LYS A 80 0.557 18.302 -14.722 1.00 0.00 N ATOM 1314 CA LYS A 80 0.228 19.069 -13.526 1.00 0.00 C ATOM 1315 C LYS A 80 -0.770 20.177 -13.848 1.00 0.00 C ATOM 1316 O LYS A 80 -0.889 20.605 -14.997 1.00 0.00 O ATOM 1317 CB LYS A 80 1.496 19.671 -12.916 1.00 0.00 C ATOM 1318 CG LYS A 80 1.920 19.007 -11.618 1.00 0.00 C ATOM 1319 CD LYS A 80 0.878 19.194 -10.529 1.00 0.00 C ATOM 1320 CE LYS A 80 1.013 20.552 -9.855 1.00 0.00 C ATOM 1321 NZ LYS A 80 -0.306 21.088 -9.419 1.00 0.00 N ATOM 0 H LYS A 80 1.219 18.761 -15.348 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.228 18.392 -12.804 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.309 19.592 -13.637 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.333 20.733 -12.735 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.082 17.943 -11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.871 19.425 -11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.119 19.097 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.983 18.405 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.673 20.465 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.481 21.255 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.571 21.891 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.027 20.342 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.242 21.405 -8.431 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.483 20.639 -12.827 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.470 21.699 -13.001 1.00 0.00 C ATOM 1337 C LEU A 81 -1.791 23.031 -13.304 1.00 0.00 C ATOM 1338 O LEU A 81 -2.392 23.925 -13.898 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.334 21.829 -11.746 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.252 20.645 -11.438 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -5.121 20.945 -10.226 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.115 20.311 -12.646 1.00 0.00 C ATOM 0 H LEU A 81 -1.396 20.296 -11.870 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.105 21.435 -13.847 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.676 21.985 -10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.949 22.724 -11.843 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.632 19.778 -11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.768 20.092 -10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.486 21.134 -9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.733 21.824 -10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.762 19.466 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.727 21.175 -12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.475 20.052 -13.490 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.533 23.155 -12.893 1.00 0.00 N ATOM 1355 CA ASN A 82 0.229 24.377 -13.123 1.00 0.00 C ATOM 1356 C ASN A 82 1.625 24.057 -13.648 1.00 0.00 C ATOM 1357 O ASN A 82 2.360 23.270 -13.051 1.00 0.00 O ATOM 1358 CB ASN A 82 0.332 25.189 -11.830 1.00 0.00 C ATOM 1359 CG ASN A 82 -0.939 25.126 -11.005 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.075 24.074 -10.206 1.00 0.00 O flip ATOM 1361 ND2 ASN A 82 -1.788 26.014 -11.085 1.00 0.00 N flip ATOM 0 H ASN A 82 -0.020 22.425 -12.399 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.296 24.967 -13.874 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.166 24.817 -11.236 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.553 26.228 -12.073 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.642 26.805 -11.713 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.638 25.959 -10.524 1.00 0.00 H new ATOM 1368 N LYS A 83 1.985 24.674 -14.768 1.00 0.00 N ATOM 1369 CA LYS A 83 3.294 24.458 -15.375 1.00 0.00 C ATOM 1370 C LYS A 83 4.397 25.079 -14.525 1.00 0.00 C ATOM 1371 O LYS A 83 4.133 25.923 -13.669 1.00 0.00 O ATOM 1372 CB LYS A 83 3.328 25.049 -16.786 1.00 0.00 C ATOM 1373 CG LYS A 83 4.508 24.573 -17.616 1.00 0.00 C ATOM 1374 CD LYS A 83 4.166 24.525 -19.096 1.00 0.00 C ATOM 1375 CE LYS A 83 4.484 23.164 -19.697 1.00 0.00 C ATOM 1376 NZ LYS A 83 3.960 23.036 -21.085 1.00 0.00 N ATOM 0 H LYS A 83 1.389 25.328 -15.275 1.00 0.00 H new ATOM 0 HA LYS A 83 3.467 23.383 -15.434 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.403 24.790 -17.302 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.359 26.136 -16.715 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.356 25.239 -17.459 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.814 23.582 -17.280 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.108 24.746 -19.233 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.725 25.297 -19.625 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.563 23.011 -19.700 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.053 22.381 -19.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.197 22.095 -21.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.927 23.156 -21.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.390 23.767 -21.687 1.00 0.00 H new ATOM 1390 N ASN A 84 5.634 24.657 -14.767 1.00 0.00 N ATOM 1391 CA ASN A 84 6.777 25.173 -14.024 1.00 0.00 C ATOM 1392 C ASN A 84 6.640 24.869 -12.535 1.00 0.00 C ATOM 1393 O ASN A 84 7.293 25.496 -11.701 1.00 0.00 O ATOM 1394 CB ASN A 84 6.912 26.682 -14.238 1.00 0.00 C ATOM 1395 CG ASN A 84 7.890 27.024 -15.345 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.739 27.901 -15.190 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.774 26.330 -16.472 1.00 0.00 N ATOM 0 H ASN A 84 5.870 23.959 -15.472 1.00 0.00 H new ATOM 0 HA ASN A 84 7.674 24.679 -14.397 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.935 27.101 -14.478 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.240 27.150 -13.310 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.404 26.516 -17.252 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.055 25.611 -16.557 1.00 0.00 H new ATOM 1404 N GLU A 85 5.787 23.903 -12.209 1.00 0.00 N ATOM 1405 CA GLU A 85 5.564 23.517 -10.821 1.00 0.00 C ATOM 1406 C GLU A 85 6.536 22.419 -10.399 1.00 0.00 C ATOM 1407 O GLU A 85 6.806 21.489 -11.160 1.00 0.00 O ATOM 1408 CB GLU A 85 4.123 23.042 -10.625 1.00 0.00 C ATOM 1409 CG GLU A 85 3.753 22.803 -9.171 1.00 0.00 C ATOM 1410 CD GLU A 85 3.075 24.003 -8.537 1.00 0.00 C ATOM 1411 OE1 GLU A 85 3.793 24.891 -8.033 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.828 24.053 -8.545 1.00 0.00 O ATOM 0 H GLU A 85 5.239 23.374 -12.887 1.00 0.00 H new ATOM 0 HA GLU A 85 5.738 24.392 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.444 23.784 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.974 22.119 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.091 21.940 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.653 22.558 -8.606 1.00 0.00 H new ATOM 1419 N TYR A 86 7.057 22.533 -9.183 1.00 0.00 N ATOM 1420 CA TYR A 86 8.001 21.552 -8.660 1.00 0.00 C ATOM 1421 C TYR A 86 7.439 20.862 -7.422 1.00 0.00 C ATOM 1422 O TYR A 86 6.369 21.220 -6.928 1.00 0.00 O ATOM 1423 CB TYR A 86 9.333 22.224 -8.323 1.00 0.00 C ATOM 1424 CG TYR A 86 9.350 22.886 -6.964 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.947 24.207 -6.808 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.770 22.192 -5.836 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.961 24.817 -5.568 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.786 22.793 -4.592 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.381 24.106 -4.464 1.00 0.00 C ATOM 1430 OH TYR A 86 9.397 24.708 -3.227 1.00 0.00 O ATOM 0 H TYR A 86 6.842 23.295 -8.540 1.00 0.00 H new ATOM 0 HA TYR A 86 8.167 20.798 -9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 86 10.127 21.479 -8.365 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.556 22.971 -9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.617 24.767 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.090 21.165 -5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.645 25.844 -5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.113 22.239 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 86 9.718 24.069 -2.557 1.00 0.00 H new ATOM 1440 N PHE A 87 8.168 19.869 -6.923 1.00 0.00 N ATOM 1441 CA PHE A 87 7.744 19.127 -5.742 1.00 0.00 C ATOM 1442 C PHE A 87 8.895 18.975 -4.752 1.00 0.00 C ATOM 1443 O PHE A 87 10.064 19.002 -5.136 1.00 0.00 O ATOM 1444 CB PHE A 87 7.216 17.748 -6.143 1.00 0.00 C ATOM 1445 CG PHE A 87 5.993 17.804 -7.013 1.00 0.00 C ATOM 1446 CD1 PHE A 87 6.080 18.235 -8.327 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.756 17.424 -6.518 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.956 18.288 -9.130 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.628 17.475 -7.316 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.729 17.907 -8.624 1.00 0.00 C ATOM 0 H PHE A 87 9.056 19.560 -7.319 1.00 0.00 H new ATOM 0 HA PHE A 87 6.945 19.689 -5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.002 17.206 -6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.985 17.180 -5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.037 18.533 -8.729 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.672 17.084 -5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.037 18.627 -10.152 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.669 17.178 -6.917 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.850 17.947 -9.250 1.00 0.00 H new ATOM 1460 N GLU A 88 8.554 18.816 -3.477 1.00 0.00 N ATOM 1461 CA GLU A 88 9.560 18.661 -2.432 1.00 0.00 C ATOM 1462 C GLU A 88 9.289 17.413 -1.597 1.00 0.00 C ATOM 1463 O GLU A 88 10.047 17.089 -0.683 1.00 0.00 O ATOM 1464 CB GLU A 88 9.584 19.897 -1.530 1.00 0.00 C ATOM 1465 CG GLU A 88 8.201 20.390 -1.136 1.00 0.00 C ATOM 1466 CD GLU A 88 8.226 21.273 0.096 1.00 0.00 C ATOM 1467 OE1 GLU A 88 9.333 21.564 0.596 1.00 0.00 O ATOM 1468 OE2 GLU A 88 7.138 21.672 0.561 1.00 0.00 O ATOM 0 H GLU A 88 7.591 18.791 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 88 10.532 18.551 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.149 19.667 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.115 20.700 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.767 20.945 -1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.553 19.533 -0.951 1.00 0.00 H new ATOM 1475 N ASP A 89 8.203 16.719 -1.917 1.00 0.00 N ATOM 1476 CA ASP A 89 7.831 15.506 -1.197 1.00 0.00 C ATOM 1477 C ASP A 89 8.061 14.269 -2.061 1.00 0.00 C ATOM 1478 O ASP A 89 7.527 13.195 -1.781 1.00 0.00 O ATOM 1479 CB ASP A 89 6.366 15.574 -0.763 1.00 0.00 C ATOM 1480 CG ASP A 89 6.215 15.867 0.717 1.00 0.00 C ATOM 1481 OD1 ASP A 89 7.139 16.472 1.299 1.00 0.00 O ATOM 1482 OD2 ASP A 89 5.172 15.492 1.293 1.00 0.00 O ATOM 0 H ASP A 89 7.564 16.975 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 89 8.462 15.431 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.855 16.347 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.877 14.628 -0.995 1.00 0.00 H new ATOM 1487 N LEU A 90 8.858 14.428 -3.112 1.00 0.00 N ATOM 1488 CA LEU A 90 9.158 13.325 -4.017 1.00 0.00 C ATOM 1489 C LEU A 90 10.424 12.592 -3.583 1.00 0.00 C ATOM 1490 O LEU A 90 10.884 11.673 -4.260 1.00 0.00 O ATOM 1491 CB LEU A 90 9.321 13.843 -5.448 1.00 0.00 C ATOM 1492 CG LEU A 90 8.070 14.444 -6.090 1.00 0.00 C ATOM 1493 CD1 LEU A 90 8.334 14.796 -7.545 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.897 13.482 -5.976 1.00 0.00 C ATOM 0 H LEU A 90 9.308 15.310 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 90 8.324 12.624 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.106 14.599 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.667 13.020 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 90 7.815 15.360 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.433 15.222 -7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.145 15.523 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.614 13.896 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.016 13.927 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.141 12.549 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.693 13.280 -4.924 1.00 0.00 H new ATOM 1506 N ASP A 91 10.980 13.005 -2.449 1.00 0.00 N ATOM 1507 CA ASP A 91 12.191 12.386 -1.922 1.00 0.00 C ATOM 1508 C ASP A 91 11.896 11.629 -0.631 1.00 0.00 C ATOM 1509 O ASP A 91 12.810 11.265 0.111 1.00 0.00 O ATOM 1510 CB ASP A 91 13.264 13.447 -1.673 1.00 0.00 C ATOM 1511 CG ASP A 91 14.127 13.695 -2.894 1.00 0.00 C ATOM 1512 OD1 ASP A 91 13.577 14.115 -3.933 1.00 0.00 O ATOM 1513 OD2 ASP A 91 15.353 13.468 -2.811 1.00 0.00 O ATOM 0 H ASP A 91 10.612 13.765 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 91 12.559 11.676 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.786 14.380 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.896 13.132 -0.843 1.00 0.00 H new ATOM 1518 N LEU A 92 10.615 11.396 -0.367 1.00 0.00 N ATOM 1519 CA LEU A 92 10.199 10.683 0.836 1.00 0.00 C ATOM 1520 C LEU A 92 9.231 9.556 0.494 1.00 0.00 C ATOM 1521 O LEU A 92 8.042 9.775 0.262 1.00 0.00 O ATOM 1522 CB LEU A 92 9.545 11.650 1.825 1.00 0.00 C ATOM 1523 CG LEU A 92 10.167 13.044 1.912 1.00 0.00 C ATOM 1524 CD1 LEU A 92 9.123 14.069 2.327 1.00 0.00 C ATOM 1525 CD2 LEU A 92 11.336 13.047 2.886 1.00 0.00 C ATOM 0 H LEU A 92 9.846 11.690 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 92 11.086 10.248 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.495 11.759 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.574 11.199 2.817 1.00 0.00 H new ATOM 0 HG LEU A 92 10.542 13.316 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.584 15.055 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.318 14.086 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.718 13.801 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.766 14.047 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.986 12.754 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.095 12.342 2.546 1.00 0.00 H new ATOM 1537 N PRO A 93 9.750 8.319 0.462 1.00 0.00 N ATOM 1538 CA PRO A 93 8.948 7.132 0.152 1.00 0.00 C ATOM 1539 C PRO A 93 7.958 6.795 1.262 1.00 0.00 C ATOM 1540 O PRO A 93 7.134 5.890 1.120 1.00 0.00 O ATOM 1541 CB PRO A 93 9.994 6.023 0.014 1.00 0.00 C ATOM 1542 CG PRO A 93 11.146 6.485 0.837 1.00 0.00 C ATOM 1543 CD PRO A 93 11.159 7.985 0.728 1.00 0.00 C ATOM 0 HA PRO A 93 8.338 7.274 -0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.609 5.069 0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.284 5.879 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.035 6.170 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.081 6.059 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.516 8.452 1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.811 8.324 -0.077 1.00 0.00 H new ATOM 1551 N THR A 94 8.043 7.528 2.368 1.00 0.00 N ATOM 1552 CA THR A 94 7.155 7.306 3.502 1.00 0.00 C ATOM 1553 C THR A 94 5.960 8.252 3.459 1.00 0.00 C ATOM 1554 O THR A 94 4.875 7.921 3.937 1.00 0.00 O ATOM 1555 CB THR A 94 7.896 7.493 4.840 1.00 0.00 C ATOM 1556 OG1 THR A 94 8.461 8.807 4.907 1.00 0.00 O ATOM 1557 CG2 THR A 94 8.995 6.454 5.000 1.00 0.00 C ATOM 0 H THR A 94 8.718 8.281 2.502 1.00 0.00 H new ATOM 0 HA THR A 94 6.802 6.277 3.431 1.00 0.00 H new ATOM 0 HB THR A 94 7.177 7.365 5.649 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.929 8.919 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.504 6.606 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.558 5.456 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.712 6.554 4.185 1.00 0.00 H new ATOM 1565 N LYS A 95 6.166 9.431 2.882 1.00 0.00 N ATOM 1566 CA LYS A 95 5.105 10.426 2.774 1.00 0.00 C ATOM 1567 C LYS A 95 4.112 10.045 1.681 1.00 0.00 C ATOM 1568 O LYS A 95 2.905 10.245 1.828 1.00 0.00 O ATOM 1569 CB LYS A 95 5.700 11.805 2.479 1.00 0.00 C ATOM 1570 CG LYS A 95 6.056 12.593 3.728 1.00 0.00 C ATOM 1571 CD LYS A 95 7.156 11.911 4.523 1.00 0.00 C ATOM 1572 CE LYS A 95 7.400 12.611 5.852 1.00 0.00 C ATOM 1573 NZ LYS A 95 7.605 14.076 5.678 1.00 0.00 N ATOM 0 H LYS A 95 7.058 9.721 2.482 1.00 0.00 H new ATOM 0 HA LYS A 95 4.575 10.461 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.595 11.682 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.988 12.380 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.377 13.596 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.170 12.705 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.885 10.871 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.077 11.904 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.551 12.439 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.275 12.177 6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.633 14.536 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.504 14.244 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.822 14.472 5.120 1.00 0.00 H new ATOM 1587 N LEU A 96 4.625 9.495 0.586 1.00 0.00 N ATOM 1588 CA LEU A 96 3.782 9.084 -0.531 1.00 0.00 C ATOM 1589 C LEU A 96 2.929 7.877 -0.155 1.00 0.00 C ATOM 1590 O LEU A 96 1.726 7.847 -0.418 1.00 0.00 O ATOM 1591 CB LEU A 96 4.644 8.754 -1.751 1.00 0.00 C ATOM 1592 CG LEU A 96 5.758 9.750 -2.075 1.00 0.00 C ATOM 1593 CD1 LEU A 96 6.791 9.115 -2.993 1.00 0.00 C ATOM 1594 CD2 LEU A 96 5.182 11.008 -2.707 1.00 0.00 C ATOM 0 H LEU A 96 5.621 9.323 0.448 1.00 0.00 H new ATOM 0 HA LEU A 96 3.117 9.912 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.094 7.773 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.992 8.673 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 96 6.252 10.029 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.576 9.838 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.227 8.244 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.311 8.807 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.989 11.705 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.662 10.747 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.481 11.475 -2.015 1.00 0.00 H new ATOM 1606 N LEU A 97 3.559 6.884 0.464 1.00 0.00 N ATOM 1607 CA LEU A 97 2.857 5.674 0.879 1.00 0.00 C ATOM 1608 C LEU A 97 1.679 6.013 1.788 1.00 0.00 C ATOM 1609 O LEU A 97 0.553 5.579 1.547 1.00 0.00 O ATOM 1610 CB LEU A 97 3.817 4.727 1.601 1.00 0.00 C ATOM 1611 CG LEU A 97 4.531 3.699 0.723 1.00 0.00 C ATOM 1612 CD1 LEU A 97 5.153 4.372 -0.490 1.00 0.00 C ATOM 1613 CD2 LEU A 97 5.591 2.957 1.525 1.00 0.00 C ATOM 0 H LEU A 97 4.554 6.893 0.689 1.00 0.00 H new ATOM 0 HA LEU A 97 2.473 5.181 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.571 5.326 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.259 4.193 2.371 1.00 0.00 H new ATOM 0 HG LEU A 97 3.795 2.975 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.657 3.624 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.373 4.857 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.876 5.118 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.089 2.229 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.324 3.668 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.120 2.441 2.361 1.00 0.00 H new