USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 45 MET CE :methyl -158:sc= -3.95! (180deg=-5.28!) USER MOD Set 1.2: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: B 153 MET CE :methyl 142:sc= -1.29 (180deg=-4.96!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.365 USER MOD Set 2.2: A 16 GLN : amide:sc= -0.575 K(o=-0.94,f=-5.8!) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00238) USER MOD Single : A 1 MET N :NH3+ -103:sc=-0.00962 (180deg=-0.438) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.17) USER MOD Single : A 11 GLN : amide:sc= -2.18! C(o=-2.2!,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 2.23 (180deg=1.87) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0.481 (180deg=0.453) USER MOD Single : A 35 CYS SG : rot 35:sc= 0.0718 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -53:sc= 1.12 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.877) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.293 K(o=0.29,f=-3.6!) USER MOD Single : A 51 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0357 USER MOD Single : A 58 GLN : amide:sc= 0.00984 X(o=0.0098,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.269 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00309 USER MOD Single : A 80 MET CE :methyl 136:sc= -4.11! (180deg=-7.25!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -28:sc= 0.016 USER MOD Single : A 85 MET CE :methyl 171:sc= -0.555 (180deg=-0.658) USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.19) USER MOD Single : A 89 SER OG : rot 90:sc= 0.0544 USER MOD Single : A 91 SXK OAB : rot 170:sc= -0.183 USER MOD Single : B 149 SER OG : rot 180:sc= 0 USER MOD Single : B 154 MET CE :methyl -148:sc= -1.1 (180deg=-1.57) USER MOD Single : B 155 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : B 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 79.274 11.210 11.867 1.00 0.00 N ATOM 2 CA MET A 1 78.669 10.112 11.046 1.00 0.00 C ATOM 3 C MET A 1 77.237 10.481 10.630 1.00 0.00 C ATOM 4 O MET A 1 76.542 11.189 11.335 1.00 0.00 O ATOM 5 CB MET A 1 78.675 8.871 11.955 1.00 0.00 C ATOM 6 CG MET A 1 77.587 8.990 13.030 1.00 0.00 C ATOM 7 SD MET A 1 78.106 8.098 14.517 1.00 0.00 S ATOM 8 CE MET A 1 76.468 7.505 15.007 1.00 0.00 C ATOM 0 H1 MET A 1 79.937 11.757 11.281 1.00 0.00 H new ATOM 0 H2 MET A 1 78.522 11.837 12.216 1.00 0.00 H new ATOM 0 H3 MET A 1 79.784 10.799 12.675 1.00 0.00 H new ATOM 0 HA MET A 1 79.225 9.936 10.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 78.509 7.974 11.358 1.00 0.00 H new ATOM 0 HB3 MET A 1 79.651 8.763 12.427 1.00 0.00 H new ATOM 0 HG2 MET A 1 77.408 10.039 13.266 1.00 0.00 H new ATOM 0 HG3 MET A 1 76.647 8.582 12.658 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.550 6.933 15.931 1.00 0.00 H new ATOM 0 HE2 MET A 1 75.805 8.356 15.164 1.00 0.00 H new ATOM 0 HE3 MET A 1 76.061 6.869 14.221 1.00 0.00 H new ATOM 20 N ASP A 2 76.794 10.008 9.492 1.00 0.00 N ATOM 21 CA ASP A 2 75.410 10.332 9.030 1.00 0.00 C ATOM 22 C ASP A 2 74.460 9.155 9.308 1.00 0.00 C ATOM 23 O ASP A 2 73.905 8.561 8.402 1.00 0.00 O ATOM 24 CB ASP A 2 75.542 10.587 7.525 1.00 0.00 C ATOM 25 CG ASP A 2 74.516 11.637 7.097 1.00 0.00 C ATOM 26 OD1 ASP A 2 73.393 11.256 6.809 1.00 0.00 O ATOM 27 OD2 ASP A 2 74.870 12.803 7.067 1.00 0.00 O ATOM 0 H ASP A 2 77.331 9.411 8.863 1.00 0.00 H new ATOM 0 HA ASP A 2 74.993 11.194 9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 2 76.550 10.930 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 2 75.383 9.661 6.973 1.00 0.00 H new ATOM 32 N ASP A 3 74.264 8.822 10.558 1.00 0.00 N ATOM 33 CA ASP A 3 73.346 7.692 10.898 1.00 0.00 C ATOM 34 C ASP A 3 71.964 8.238 11.286 1.00 0.00 C ATOM 35 O ASP A 3 71.417 7.902 12.320 1.00 0.00 O ATOM 36 CB ASP A 3 74.017 6.982 12.079 1.00 0.00 C ATOM 37 CG ASP A 3 75.116 6.055 11.558 1.00 0.00 C ATOM 38 OD1 ASP A 3 76.212 6.538 11.328 1.00 0.00 O ATOM 39 OD2 ASP A 3 74.839 4.879 11.393 1.00 0.00 O ATOM 0 H ASP A 3 74.699 9.283 11.357 1.00 0.00 H new ATOM 0 HA ASP A 3 73.186 7.011 10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 3 74.440 7.715 12.765 1.00 0.00 H new ATOM 0 HB3 ASP A 3 73.279 6.409 12.640 1.00 0.00 H new ATOM 44 N ILE A 4 71.398 9.084 10.458 1.00 0.00 N ATOM 45 CA ILE A 4 70.053 9.664 10.769 1.00 0.00 C ATOM 46 C ILE A 4 68.940 8.759 10.222 1.00 0.00 C ATOM 47 O ILE A 4 68.006 8.427 10.927 1.00 0.00 O ATOM 48 CB ILE A 4 70.035 11.035 10.077 1.00 0.00 C ATOM 49 CG1 ILE A 4 71.128 11.929 10.678 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.672 11.697 10.289 1.00 0.00 C ATOM 51 CD1 ILE A 4 72.201 12.213 9.623 1.00 0.00 C ATOM 0 H ILE A 4 71.810 9.398 9.579 1.00 0.00 H new ATOM 0 HA ILE A 4 69.882 9.753 11.842 1.00 0.00 H new ATOM 0 HB ILE A 4 70.216 10.902 9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 4 70.693 12.865 11.029 1.00 0.00 H new ATOM 0 HG13 ILE A 4 71.576 11.441 11.544 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.660 12.670 9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.891 11.066 9.864 1.00 0.00 H new ATOM 0 HG23 ILE A 4 68.493 11.827 11.356 1.00 0.00 H new ATOM 0 HD11 ILE A 4 72.975 12.848 10.053 1.00 0.00 H new ATOM 0 HD12 ILE A 4 72.644 11.274 9.293 1.00 0.00 H new ATOM 0 HD13 ILE A 4 71.748 12.720 8.771 1.00 0.00 H new ATOM 63 N TYR A 5 69.031 8.356 8.976 1.00 0.00 N ATOM 64 CA TYR A 5 67.973 7.468 8.393 1.00 0.00 C ATOM 65 C TYR A 5 67.922 6.133 9.149 1.00 0.00 C ATOM 66 O TYR A 5 66.859 5.609 9.423 1.00 0.00 O ATOM 67 CB TYR A 5 68.379 7.246 6.931 1.00 0.00 C ATOM 68 CG TYR A 5 67.980 8.443 6.096 1.00 0.00 C ATOM 69 CD1 TYR A 5 66.684 8.967 6.188 1.00 0.00 C ATOM 70 CD2 TYR A 5 68.909 9.025 5.226 1.00 0.00 C ATOM 71 CE1 TYR A 5 66.318 10.072 5.410 1.00 0.00 C ATOM 72 CE2 TYR A 5 68.542 10.128 4.446 1.00 0.00 C ATOM 73 CZ TYR A 5 67.247 10.652 4.539 1.00 0.00 C ATOM 74 OH TYR A 5 66.886 11.737 3.767 1.00 0.00 O ATOM 0 H TYR A 5 69.789 8.602 8.339 1.00 0.00 H new ATOM 0 HA TYR A 5 66.982 7.915 8.469 1.00 0.00 H new ATOM 0 HB2 TYR A 5 69.455 7.088 6.864 1.00 0.00 H new ATOM 0 HB3 TYR A 5 67.900 6.346 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 5 65.967 8.518 6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 5 69.909 8.623 5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 5 65.319 10.477 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 5 69.258 10.575 3.772 1.00 0.00 H new ATOM 0 HH TYR A 5 67.649 12.017 3.219 1.00 0.00 H new ATOM 84 N LYS A 6 69.063 5.587 9.497 1.00 0.00 N ATOM 85 CA LYS A 6 69.083 4.294 10.249 1.00 0.00 C ATOM 86 C LYS A 6 68.564 4.508 11.679 1.00 0.00 C ATOM 87 O LYS A 6 67.868 3.671 12.220 1.00 0.00 O ATOM 88 CB LYS A 6 70.551 3.857 10.265 1.00 0.00 C ATOM 89 CG LYS A 6 70.646 2.381 10.663 1.00 0.00 C ATOM 90 CD LYS A 6 72.006 2.115 11.317 1.00 0.00 C ATOM 91 CE LYS A 6 73.051 1.811 10.241 1.00 0.00 C ATOM 92 NZ LYS A 6 74.353 2.211 10.847 1.00 0.00 N ATOM 0 H LYS A 6 69.981 5.982 9.292 1.00 0.00 H new ATOM 0 HA LYS A 6 68.445 3.540 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 6 70.996 4.008 9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 6 71.115 4.470 10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 6 69.842 2.127 11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 6 70.523 1.748 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 6 72.314 2.982 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.929 1.276 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.047 0.754 9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.852 2.371 9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 75.132 1.909 10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 74.381 3.245 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 74.456 1.759 11.778 1.00 0.00 H new ATOM 106 N ALA A 7 68.893 5.629 12.287 1.00 0.00 N ATOM 107 CA ALA A 7 68.414 5.907 13.681 1.00 0.00 C ATOM 108 C ALA A 7 66.894 5.722 13.767 1.00 0.00 C ATOM 109 O ALA A 7 66.400 5.035 14.637 1.00 0.00 O ATOM 110 CB ALA A 7 68.796 7.363 13.963 1.00 0.00 C ATOM 0 H ALA A 7 69.472 6.361 11.877 1.00 0.00 H new ATOM 0 HA ALA A 7 68.859 5.227 14.408 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.475 7.635 14.968 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.877 7.477 13.884 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.308 8.014 13.238 1.00 0.00 H new ATOM 116 N ALA A 8 66.154 6.318 12.860 1.00 0.00 N ATOM 117 CA ALA A 8 64.665 6.161 12.881 1.00 0.00 C ATOM 118 C ALA A 8 64.291 4.682 12.708 1.00 0.00 C ATOM 119 O ALA A 8 63.425 4.170 13.391 1.00 0.00 O ATOM 120 CB ALA A 8 64.151 6.989 11.700 1.00 0.00 C ATOM 0 H ALA A 8 66.517 6.905 12.109 1.00 0.00 H new ATOM 0 HA ALA A 8 64.230 6.494 13.823 1.00 0.00 H new ATOM 0 HB1 ALA A 8 63.064 6.920 11.653 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.444 8.031 11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.579 6.606 10.774 1.00 0.00 H new ATOM 126 N VAL A 9 64.950 3.992 11.805 1.00 0.00 N ATOM 127 CA VAL A 9 64.651 2.537 11.586 1.00 0.00 C ATOM 128 C VAL A 9 64.898 1.745 12.881 1.00 0.00 C ATOM 129 O VAL A 9 64.161 0.834 13.210 1.00 0.00 O ATOM 130 CB VAL A 9 65.620 2.092 10.479 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.664 0.564 10.404 1.00 0.00 C ATOM 132 CG2 VAL A 9 65.149 2.648 9.132 1.00 0.00 C ATOM 0 H VAL A 9 65.684 4.374 11.209 1.00 0.00 H new ATOM 0 HA VAL A 9 63.612 2.364 11.305 1.00 0.00 H new ATOM 0 HB VAL A 9 66.616 2.471 10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 9 66.353 0.258 9.617 1.00 0.00 H new ATOM 0 HG12 VAL A 9 66.003 0.162 11.359 1.00 0.00 H new ATOM 0 HG13 VAL A 9 64.668 0.182 10.183 1.00 0.00 H new ATOM 0 HG21 VAL A 9 65.837 2.332 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 9 64.150 2.271 8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 9 65.125 3.737 9.176 1.00 0.00 H new ATOM 142 N GLU A 10 65.924 2.094 13.615 1.00 0.00 N ATOM 143 CA GLU A 10 66.223 1.375 14.893 1.00 0.00 C ATOM 144 C GLU A 10 65.338 1.918 16.027 1.00 0.00 C ATOM 145 O GLU A 10 64.972 1.196 16.934 1.00 0.00 O ATOM 146 CB GLU A 10 67.702 1.663 15.175 1.00 0.00 C ATOM 147 CG GLU A 10 68.566 1.055 14.063 1.00 0.00 C ATOM 148 CD GLU A 10 69.987 1.623 14.138 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.137 2.826 13.995 1.00 0.00 O ATOM 150 OE2 GLU A 10 70.903 0.842 14.333 1.00 0.00 O ATOM 0 H GLU A 10 66.570 2.849 13.384 1.00 0.00 H new ATOM 0 HA GLU A 10 66.025 0.306 14.822 1.00 0.00 H new ATOM 0 HB2 GLU A 10 67.869 2.739 15.232 1.00 0.00 H new ATOM 0 HB3 GLU A 10 67.987 1.245 16.140 1.00 0.00 H new ATOM 0 HG2 GLU A 10 68.593 -0.030 14.163 1.00 0.00 H new ATOM 0 HG3 GLU A 10 68.128 1.274 13.089 1.00 0.00 H new ATOM 157 N GLN A 11 64.995 3.186 15.975 1.00 0.00 N ATOM 158 CA GLN A 11 64.132 3.794 17.041 1.00 0.00 C ATOM 159 C GLN A 11 62.744 3.134 17.070 1.00 0.00 C ATOM 160 O GLN A 11 62.130 3.024 18.115 1.00 0.00 O ATOM 161 CB GLN A 11 64.014 5.274 16.662 1.00 0.00 C ATOM 162 CG GLN A 11 65.169 6.058 17.293 1.00 0.00 C ATOM 163 CD GLN A 11 65.130 7.510 16.811 1.00 0.00 C ATOM 164 OE1 GLN A 11 65.485 7.798 15.687 1.00 0.00 O ATOM 165 NE2 GLN A 11 64.712 8.443 17.619 1.00 0.00 N ATOM 0 H GLN A 11 65.278 3.829 15.235 1.00 0.00 H new ATOM 0 HA GLN A 11 64.560 3.655 18.034 1.00 0.00 H new ATOM 0 HB2 GLN A 11 64.035 5.385 15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 11 63.060 5.673 17.005 1.00 0.00 H new ATOM 0 HG2 GLN A 11 65.094 6.023 18.380 1.00 0.00 H new ATOM 0 HG3 GLN A 11 66.121 5.601 17.024 1.00 0.00 H new ATOM 0 HE21 GLN A 11 64.413 8.203 18.564 1.00 0.00 H new ATOM 0 HE22 GLN A 11 64.684 9.413 17.306 1.00 0.00 H new ATOM 174 N LEU A 12 62.245 2.695 15.935 1.00 0.00 N ATOM 175 CA LEU A 12 60.895 2.039 15.905 1.00 0.00 C ATOM 176 C LEU A 12 60.845 0.872 16.901 1.00 0.00 C ATOM 177 O LEU A 12 61.789 0.115 17.028 1.00 0.00 O ATOM 178 CB LEU A 12 60.726 1.511 14.476 1.00 0.00 C ATOM 179 CG LEU A 12 60.487 2.674 13.511 1.00 0.00 C ATOM 180 CD1 LEU A 12 60.838 2.231 12.090 1.00 0.00 C ATOM 181 CD2 LEU A 12 59.016 3.090 13.562 1.00 0.00 C ATOM 0 H LEU A 12 62.713 2.762 15.031 1.00 0.00 H new ATOM 0 HA LEU A 12 60.104 2.737 16.180 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.616 0.957 14.177 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.888 0.815 14.434 1.00 0.00 H new ATOM 0 HG LEU A 12 61.113 3.519 13.799 1.00 0.00 H new ATOM 0 HD11 LEU A 12 60.669 3.057 11.399 1.00 0.00 H new ATOM 0 HD12 LEU A 12 61.886 1.933 12.050 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.210 1.387 11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 12 58.848 3.919 12.874 1.00 0.00 H new ATOM 0 HD22 LEU A 12 58.389 2.246 13.274 1.00 0.00 H new ATOM 0 HD23 LEU A 12 58.761 3.402 14.575 1.00 0.00 H new ATOM 193 N THR A 13 59.752 0.716 17.602 1.00 0.00 N ATOM 194 CA THR A 13 59.647 -0.412 18.583 1.00 0.00 C ATOM 195 C THR A 13 59.370 -1.721 17.847 1.00 0.00 C ATOM 196 O THR A 13 59.007 -1.726 16.684 1.00 0.00 O ATOM 197 CB THR A 13 58.476 -0.060 19.512 1.00 0.00 C ATOM 198 OG1 THR A 13 57.272 -0.019 18.761 1.00 0.00 O ATOM 199 CG2 THR A 13 58.714 1.304 20.166 1.00 0.00 C ATOM 0 H THR A 13 58.930 1.316 17.540 1.00 0.00 H new ATOM 0 HA THR A 13 60.571 -0.544 19.145 1.00 0.00 H new ATOM 0 HB THR A 13 58.399 -0.820 20.290 1.00 0.00 H new ATOM 0 HG1 THR A 13 56.524 0.204 19.354 1.00 0.00 H new ATOM 0 HG21 THR A 13 57.878 1.544 20.823 1.00 0.00 H new ATOM 0 HG22 THR A 13 59.635 1.273 20.748 1.00 0.00 H new ATOM 0 HG23 THR A 13 58.799 2.068 19.393 1.00 0.00 H new ATOM 207 N GLU A 14 59.547 -2.832 18.512 1.00 0.00 N ATOM 208 CA GLU A 14 59.302 -4.146 17.847 1.00 0.00 C ATOM 209 C GLU A 14 57.882 -4.206 17.265 1.00 0.00 C ATOM 210 O GLU A 14 57.636 -4.890 16.290 1.00 0.00 O ATOM 211 CB GLU A 14 59.497 -5.202 18.939 1.00 0.00 C ATOM 212 CG GLU A 14 60.601 -6.183 18.515 1.00 0.00 C ATOM 213 CD GLU A 14 61.833 -5.413 18.018 1.00 0.00 C ATOM 214 OE1 GLU A 14 62.310 -4.553 18.743 1.00 0.00 O ATOM 215 OE2 GLU A 14 62.273 -5.691 16.915 1.00 0.00 O ATOM 0 H GLU A 14 59.850 -2.887 19.484 1.00 0.00 H new ATOM 0 HA GLU A 14 59.982 -4.309 17.010 1.00 0.00 H new ATOM 0 HB2 GLU A 14 59.765 -4.722 19.880 1.00 0.00 H new ATOM 0 HB3 GLU A 14 58.564 -5.740 19.110 1.00 0.00 H new ATOM 0 HG2 GLU A 14 60.876 -6.819 19.357 1.00 0.00 H new ATOM 0 HG3 GLU A 14 60.231 -6.839 17.727 1.00 0.00 H new ATOM 222 N GLU A 15 56.954 -3.476 17.839 1.00 0.00 N ATOM 223 CA GLU A 15 55.557 -3.470 17.304 1.00 0.00 C ATOM 224 C GLU A 15 55.567 -2.941 15.864 1.00 0.00 C ATOM 225 O GLU A 15 54.989 -3.534 14.973 1.00 0.00 O ATOM 226 CB GLU A 15 54.775 -2.526 18.225 1.00 0.00 C ATOM 227 CG GLU A 15 54.677 -3.133 19.631 1.00 0.00 C ATOM 228 CD GLU A 15 55.611 -2.382 20.586 1.00 0.00 C ATOM 229 OE1 GLU A 15 56.796 -2.674 20.577 1.00 0.00 O ATOM 230 OE2 GLU A 15 55.126 -1.525 21.305 1.00 0.00 O ATOM 0 H GLU A 15 57.106 -2.884 18.656 1.00 0.00 H new ATOM 0 HA GLU A 15 55.110 -4.464 17.284 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.270 -1.556 18.272 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.777 -2.355 17.822 1.00 0.00 H new ATOM 0 HG2 GLU A 15 53.650 -3.075 19.991 1.00 0.00 H new ATOM 0 HG3 GLU A 15 54.945 -4.189 19.601 1.00 0.00 H new ATOM 237 N GLN A 16 56.244 -1.840 15.631 1.00 0.00 N ATOM 238 CA GLN A 16 56.323 -1.277 14.245 1.00 0.00 C ATOM 239 C GLN A 16 57.121 -2.225 13.351 1.00 0.00 C ATOM 240 O GLN A 16 56.764 -2.483 12.217 1.00 0.00 O ATOM 241 CB GLN A 16 57.050 0.065 14.390 1.00 0.00 C ATOM 242 CG GLN A 16 56.064 1.142 14.856 1.00 0.00 C ATOM 243 CD GLN A 16 56.548 1.749 16.176 1.00 0.00 C ATOM 244 OE1 GLN A 16 57.647 2.261 16.257 1.00 0.00 O ATOM 245 NE2 GLN A 16 55.771 1.715 17.222 1.00 0.00 N ATOM 0 H GLN A 16 56.745 -1.307 16.342 1.00 0.00 H new ATOM 0 HA GLN A 16 55.340 -1.151 13.792 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.866 -0.029 15.107 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.494 0.353 13.437 1.00 0.00 H new ATOM 0 HG2 GLN A 16 55.975 1.920 14.098 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.072 0.709 14.986 1.00 0.00 H new ATOM 0 HE21 GLN A 16 54.848 1.286 17.158 1.00 0.00 H new ATOM 0 HE22 GLN A 16 56.086 2.117 18.105 1.00 0.00 H new ATOM 254 N LYS A 17 58.190 -2.752 13.876 1.00 0.00 N ATOM 255 CA LYS A 17 59.039 -3.710 13.096 1.00 0.00 C ATOM 256 C LYS A 17 58.202 -4.925 12.680 1.00 0.00 C ATOM 257 O LYS A 17 58.247 -5.361 11.544 1.00 0.00 O ATOM 258 CB LYS A 17 60.157 -4.130 14.059 1.00 0.00 C ATOM 259 CG LYS A 17 61.303 -3.115 13.995 1.00 0.00 C ATOM 260 CD LYS A 17 61.517 -2.496 15.379 1.00 0.00 C ATOM 261 CE LYS A 17 63.006 -2.517 15.731 1.00 0.00 C ATOM 262 NZ LYS A 17 63.059 -2.226 17.192 1.00 0.00 N ATOM 0 H LYS A 17 58.520 -2.561 14.822 1.00 0.00 H new ATOM 0 HA LYS A 17 59.438 -3.266 12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.770 -4.192 15.076 1.00 0.00 H new ATOM 0 HB3 LYS A 17 60.523 -5.123 13.796 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.217 -3.604 13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.072 -2.336 13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.146 -1.471 15.391 1.00 0.00 H new ATOM 0 HD3 LYS A 17 60.949 -3.049 16.127 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.452 -3.486 15.505 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.558 -1.771 15.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.028 -1.956 17.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.409 -1.445 17.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.777 -3.073 17.725 1.00 0.00 H new ATOM 276 N ASN A 18 57.427 -5.462 13.592 1.00 0.00 N ATOM 277 CA ASN A 18 56.568 -6.641 13.259 1.00 0.00 C ATOM 278 C ASN A 18 55.442 -6.216 12.303 1.00 0.00 C ATOM 279 O ASN A 18 55.128 -6.917 11.360 1.00 0.00 O ATOM 280 CB ASN A 18 56.000 -7.119 14.601 1.00 0.00 C ATOM 281 CG ASN A 18 56.726 -8.393 15.035 1.00 0.00 C ATOM 282 OD1 ASN A 18 57.554 -8.361 15.921 1.00 0.00 O ATOM 283 ND2 ASN A 18 56.453 -9.521 14.443 1.00 0.00 N ATOM 0 H ASN A 18 57.353 -5.133 14.555 1.00 0.00 H new ATOM 0 HA ASN A 18 57.125 -7.433 12.758 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.121 -6.343 15.357 1.00 0.00 H new ATOM 0 HB3 ASN A 18 54.931 -7.310 14.509 1.00 0.00 H new ATOM 0 HD21 ASN A 18 56.935 -10.375 14.725 1.00 0.00 H new ATOM 0 HD22 ASN A 18 55.757 -9.551 13.698 1.00 0.00 H new ATOM 290 N GLU A 19 54.847 -5.066 12.530 1.00 0.00 N ATOM 291 CA GLU A 19 53.755 -4.586 11.621 1.00 0.00 C ATOM 292 C GLU A 19 54.301 -4.428 10.195 1.00 0.00 C ATOM 293 O GLU A 19 53.691 -4.864 9.236 1.00 0.00 O ATOM 294 CB GLU A 19 53.316 -3.231 12.188 1.00 0.00 C ATOM 295 CG GLU A 19 51.889 -3.343 12.736 1.00 0.00 C ATOM 296 CD GLU A 19 50.885 -3.300 11.580 1.00 0.00 C ATOM 297 OE1 GLU A 19 50.648 -4.339 10.987 1.00 0.00 O ATOM 298 OE2 GLU A 19 50.368 -2.229 11.311 1.00 0.00 O ATOM 0 H GLU A 19 55.070 -4.441 13.304 1.00 0.00 H new ATOM 0 HA GLU A 19 52.920 -5.284 11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.997 -2.918 12.979 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.359 -2.468 11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.776 -4.273 13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.692 -2.528 13.432 1.00 0.00 H new ATOM 305 N PHE A 20 55.459 -3.826 10.056 1.00 0.00 N ATOM 306 CA PHE A 20 56.065 -3.657 8.698 1.00 0.00 C ATOM 307 C PHE A 20 56.403 -5.033 8.105 1.00 0.00 C ATOM 308 O PHE A 20 56.279 -5.248 6.915 1.00 0.00 O ATOM 309 CB PHE A 20 57.342 -2.836 8.919 1.00 0.00 C ATOM 310 CG PHE A 20 57.007 -1.359 8.926 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.257 -0.802 7.881 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.449 -0.547 9.977 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.948 0.563 7.891 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.141 0.818 9.985 1.00 0.00 C ATOM 315 CZ PHE A 20 56.391 1.373 8.942 1.00 0.00 C ATOM 0 H PHE A 20 56.010 -3.445 10.825 1.00 0.00 H new ATOM 0 HA PHE A 20 55.388 -3.162 8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.807 -3.117 9.864 1.00 0.00 H new ATOM 0 HB3 PHE A 20 58.064 -3.051 8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.917 -1.426 7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.028 -0.974 10.782 1.00 0.00 H new ATOM 0 HE1 PHE A 20 55.367 0.991 7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.482 1.444 10.797 1.00 0.00 H new ATOM 0 HZ PHE A 20 56.154 2.427 8.948 1.00 0.00 H new ATOM 325 N LYS A 21 56.816 -5.969 8.932 1.00 0.00 N ATOM 326 CA LYS A 21 57.144 -7.337 8.421 1.00 0.00 C ATOM 327 C LYS A 21 55.892 -7.963 7.781 1.00 0.00 C ATOM 328 O LYS A 21 55.974 -8.597 6.749 1.00 0.00 O ATOM 329 CB LYS A 21 57.638 -8.125 9.659 1.00 0.00 C ATOM 330 CG LYS A 21 56.724 -9.321 9.975 1.00 0.00 C ATOM 331 CD LYS A 21 56.932 -10.424 8.931 1.00 0.00 C ATOM 332 CE LYS A 21 57.630 -11.625 9.573 1.00 0.00 C ATOM 333 NZ LYS A 21 57.918 -12.552 8.440 1.00 0.00 N ATOM 0 H LYS A 21 56.939 -5.842 9.937 1.00 0.00 H new ATOM 0 HA LYS A 21 57.909 -7.335 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.653 -8.480 9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.678 -7.460 10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 21 56.943 -9.705 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.681 -9.003 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 21 55.971 -10.730 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 21 57.531 -10.045 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 21 58.547 -11.324 10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 21 56.993 -12.099 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 58.367 -13.417 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 57.030 -12.799 7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 58.559 -12.087 7.766 1.00 0.00 H new ATOM 347 N ALA A 22 54.736 -7.769 8.375 1.00 0.00 N ATOM 348 CA ALA A 22 53.480 -8.337 7.789 1.00 0.00 C ATOM 349 C ALA A 22 53.221 -7.714 6.410 1.00 0.00 C ATOM 350 O ALA A 22 52.941 -8.406 5.450 1.00 0.00 O ATOM 351 CB ALA A 22 52.369 -7.957 8.774 1.00 0.00 C ATOM 0 H ALA A 22 54.609 -7.242 9.239 1.00 0.00 H new ATOM 0 HA ALA A 22 53.538 -9.416 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.415 -8.340 8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.586 -8.389 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.315 -6.872 8.861 1.00 0.00 H new ATOM 357 N ALA A 23 53.330 -6.411 6.307 1.00 0.00 N ATOM 358 CA ALA A 23 53.109 -5.731 4.992 1.00 0.00 C ATOM 359 C ALA A 23 54.216 -6.124 4.000 1.00 0.00 C ATOM 360 O ALA A 23 53.964 -6.338 2.829 1.00 0.00 O ATOM 361 CB ALA A 23 53.173 -4.234 5.307 1.00 0.00 C ATOM 0 H ALA A 23 53.563 -5.788 7.080 1.00 0.00 H new ATOM 0 HA ALA A 23 52.160 -6.010 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.020 -3.663 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.395 -3.980 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.149 -3.992 5.727 1.00 0.00 H new ATOM 367 N PHE A 24 55.438 -6.227 4.469 1.00 0.00 N ATOM 368 CA PHE A 24 56.571 -6.614 3.569 1.00 0.00 C ATOM 369 C PHE A 24 56.421 -8.076 3.122 1.00 0.00 C ATOM 370 O PHE A 24 56.678 -8.408 1.981 1.00 0.00 O ATOM 371 CB PHE A 24 57.835 -6.438 4.419 1.00 0.00 C ATOM 372 CG PHE A 24 59.056 -6.761 3.590 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.652 -5.768 2.804 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.592 -8.054 3.608 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.783 -6.068 2.038 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.723 -8.353 2.841 1.00 0.00 C ATOM 377 CZ PHE A 24 61.319 -7.360 2.056 1.00 0.00 C ATOM 0 H PHE A 24 55.700 -6.059 5.440 1.00 0.00 H new ATOM 0 HA PHE A 24 56.602 -6.008 2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.896 -5.415 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.792 -7.091 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.239 -4.770 2.789 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.132 -8.821 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.243 -5.301 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.136 -9.351 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.192 -7.591 1.464 1.00 0.00 H new ATOM 387 N ASP A 25 56.003 -8.947 4.013 1.00 0.00 N ATOM 388 CA ASP A 25 55.828 -10.389 3.645 1.00 0.00 C ATOM 389 C ASP A 25 54.911 -10.512 2.418 1.00 0.00 C ATOM 390 O ASP A 25 55.191 -11.254 1.496 1.00 0.00 O ATOM 391 CB ASP A 25 55.188 -11.040 4.879 1.00 0.00 C ATOM 392 CG ASP A 25 56.266 -11.713 5.737 1.00 0.00 C ATOM 393 OD1 ASP A 25 57.328 -11.129 5.900 1.00 0.00 O ATOM 394 OD2 ASP A 25 56.010 -12.801 6.225 1.00 0.00 O ATOM 0 H ASP A 25 55.775 -8.720 4.981 1.00 0.00 H new ATOM 0 HA ASP A 25 56.770 -10.870 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 25 54.662 -10.287 5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 25 54.447 -11.776 4.568 1.00 0.00 H new ATOM 399 N ILE A 26 53.833 -9.766 2.392 1.00 0.00 N ATOM 400 CA ILE A 26 52.912 -9.812 1.212 1.00 0.00 C ATOM 401 C ILE A 26 53.552 -9.060 0.032 1.00 0.00 C ATOM 402 O ILE A 26 53.301 -9.362 -1.118 1.00 0.00 O ATOM 403 CB ILE A 26 51.623 -9.118 1.680 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.872 -10.041 2.646 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.723 -8.811 0.479 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.121 -9.200 3.679 1.00 0.00 C ATOM 0 H ILE A 26 53.551 -9.128 3.136 1.00 0.00 H new ATOM 0 HA ILE A 26 52.711 -10.828 0.871 1.00 0.00 H new ATOM 0 HB ILE A 26 51.884 -8.186 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.172 -10.669 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.573 -10.709 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.813 -8.319 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 26 51.251 -8.155 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.464 -9.740 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.587 -9.858 4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.831 -8.591 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.408 -8.551 3.171 1.00 0.00 H new ATOM 418 N PHE A 27 54.389 -8.087 0.315 1.00 0.00 N ATOM 419 CA PHE A 27 55.062 -7.316 -0.779 1.00 0.00 C ATOM 420 C PHE A 27 56.160 -8.156 -1.460 1.00 0.00 C ATOM 421 O PHE A 27 56.686 -7.771 -2.487 1.00 0.00 O ATOM 422 CB PHE A 27 55.680 -6.095 -0.087 1.00 0.00 C ATOM 423 CG PHE A 27 55.022 -4.833 -0.596 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.310 -4.360 -1.884 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.124 -4.135 0.219 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.701 -3.190 -2.352 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.515 -2.965 -0.250 1.00 0.00 C ATOM 428 CZ PHE A 27 53.804 -2.493 -1.535 1.00 0.00 C ATOM 0 H PHE A 27 54.635 -7.794 1.261 1.00 0.00 H new ATOM 0 HA PHE A 27 54.357 -7.037 -1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.552 -6.173 0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.752 -6.060 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 27 56.002 -4.898 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 27 53.900 -4.499 1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.923 -2.825 -3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 27 52.822 -2.427 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.334 -1.590 -1.897 1.00 0.00 H new ATOM 438 N VAL A 28 56.514 -9.292 -0.902 1.00 0.00 N ATOM 439 CA VAL A 28 57.577 -10.142 -1.535 1.00 0.00 C ATOM 440 C VAL A 28 57.071 -11.575 -1.784 1.00 0.00 C ATOM 441 O VAL A 28 57.816 -12.419 -2.247 1.00 0.00 O ATOM 442 CB VAL A 28 58.755 -10.151 -0.547 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.205 -8.715 -0.260 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.338 -10.827 0.766 1.00 0.00 C ATOM 0 H VAL A 28 56.116 -9.666 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 28 57.868 -9.744 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 28 59.580 -10.708 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 28 60.040 -8.728 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.519 -8.239 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.377 -8.154 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 59.180 -10.828 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.505 -10.280 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.032 -11.854 0.565 1.00 0.00 H new ATOM 454 N LEU A 29 55.819 -11.863 -1.495 1.00 0.00 N ATOM 455 CA LEU A 29 55.299 -13.249 -1.735 1.00 0.00 C ATOM 456 C LEU A 29 55.289 -13.558 -3.243 1.00 0.00 C ATOM 457 O LEU A 29 55.504 -14.683 -3.652 1.00 0.00 O ATOM 458 CB LEU A 29 53.881 -13.277 -1.129 1.00 0.00 C ATOM 459 CG LEU A 29 52.861 -12.599 -2.059 1.00 0.00 C ATOM 460 CD1 LEU A 29 52.321 -13.619 -3.066 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.698 -12.060 -1.223 1.00 0.00 C ATOM 0 H LEU A 29 55.143 -11.205 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 29 55.926 -14.012 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.581 -14.309 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.886 -12.773 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 29 53.347 -11.783 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 29 51.599 -13.134 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 29 53.145 -14.014 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.835 -14.435 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.972 -11.578 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.219 -12.883 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.074 -11.334 -0.502 1.00 0.00 H new ATOM 473 N GLY A 30 55.064 -12.562 -4.068 1.00 0.00 N ATOM 474 CA GLY A 30 55.063 -12.783 -5.547 1.00 0.00 C ATOM 475 C GLY A 30 56.234 -12.015 -6.175 1.00 0.00 C ATOM 476 O GLY A 30 56.178 -11.615 -7.323 1.00 0.00 O ATOM 0 H GLY A 30 54.880 -11.602 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 30 55.151 -13.847 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 30 54.120 -12.445 -5.976 1.00 0.00 H new ATOM 480 N ALA A 31 57.294 -11.809 -5.427 1.00 0.00 N ATOM 481 CA ALA A 31 58.476 -11.070 -5.963 1.00 0.00 C ATOM 482 C ALA A 31 59.741 -11.940 -5.819 1.00 0.00 C ATOM 483 O ALA A 31 59.758 -13.082 -6.241 1.00 0.00 O ATOM 484 CB ALA A 31 58.557 -9.803 -5.101 1.00 0.00 C ATOM 0 H ALA A 31 57.388 -12.125 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 31 58.391 -10.826 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 31 59.402 -9.196 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 31 57.636 -9.230 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.691 -10.082 -4.056 1.00 0.00 H new ATOM 490 N GLU A 32 60.792 -11.422 -5.227 1.00 0.00 N ATOM 491 CA GLU A 32 62.037 -12.235 -5.056 1.00 0.00 C ATOM 492 C GLU A 32 62.066 -12.854 -3.650 1.00 0.00 C ATOM 493 O GLU A 32 61.130 -12.716 -2.885 1.00 0.00 O ATOM 494 CB GLU A 32 63.193 -11.243 -5.237 1.00 0.00 C ATOM 495 CG GLU A 32 63.115 -10.592 -6.626 1.00 0.00 C ATOM 496 CD GLU A 32 62.452 -9.214 -6.518 1.00 0.00 C ATOM 497 OE1 GLU A 32 62.995 -8.371 -5.826 1.00 0.00 O ATOM 498 OE2 GLU A 32 61.413 -9.027 -7.130 1.00 0.00 O ATOM 0 H GLU A 32 60.840 -10.473 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 32 62.099 -13.057 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 32 63.149 -10.476 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 32 64.147 -11.758 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 32 64.115 -10.492 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 32 62.545 -11.228 -7.304 1.00 0.00 H new ATOM 505 N ASP A 33 63.132 -13.536 -3.307 1.00 0.00 N ATOM 506 CA ASP A 33 63.226 -14.168 -1.950 1.00 0.00 C ATOM 507 C ASP A 33 63.340 -13.088 -0.861 1.00 0.00 C ATOM 508 O ASP A 33 64.421 -12.748 -0.418 1.00 0.00 O ATOM 509 CB ASP A 33 64.495 -15.028 -2.004 1.00 0.00 C ATOM 510 CG ASP A 33 64.218 -16.294 -2.815 1.00 0.00 C ATOM 511 OD1 ASP A 33 64.332 -16.233 -4.028 1.00 0.00 O ATOM 512 OD2 ASP A 33 63.895 -17.302 -2.209 1.00 0.00 O ATOM 0 H ASP A 33 63.943 -13.683 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 33 62.344 -14.760 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 33 65.310 -14.464 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 33 64.812 -15.292 -0.995 1.00 0.00 H new ATOM 517 N GLY A 34 62.225 -12.542 -0.438 1.00 0.00 N ATOM 518 CA GLY A 34 62.252 -11.476 0.610 1.00 0.00 C ATOM 519 C GLY A 34 62.770 -10.167 0.001 1.00 0.00 C ATOM 520 O GLY A 34 63.459 -9.406 0.651 1.00 0.00 O ATOM 0 H GLY A 34 61.295 -12.790 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.252 -11.328 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.892 -11.782 1.438 1.00 0.00 H new ATOM 524 N CYS A 35 62.446 -9.902 -1.245 1.00 0.00 N ATOM 525 CA CYS A 35 62.926 -8.644 -1.899 1.00 0.00 C ATOM 526 C CYS A 35 61.888 -8.122 -2.904 1.00 0.00 C ATOM 527 O CYS A 35 61.027 -8.853 -3.357 1.00 0.00 O ATOM 528 CB CYS A 35 64.219 -9.043 -2.618 1.00 0.00 C ATOM 529 SG CYS A 35 65.643 -8.561 -1.611 1.00 0.00 S ATOM 0 H CYS A 35 61.871 -10.503 -1.835 1.00 0.00 H new ATOM 0 HA CYS A 35 63.086 -7.843 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.232 -10.119 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.269 -8.559 -3.593 1.00 0.00 H new ATOM 0 HG CYS A 35 65.350 -8.698 -0.352 1.00 0.00 H new ATOM 535 N ILE A 36 61.969 -6.859 -3.253 1.00 0.00 N ATOM 536 CA ILE A 36 60.993 -6.275 -4.228 1.00 0.00 C ATOM 537 C ILE A 36 61.737 -5.538 -5.351 1.00 0.00 C ATOM 538 O ILE A 36 62.551 -4.666 -5.102 1.00 0.00 O ATOM 539 CB ILE A 36 60.143 -5.292 -3.411 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.296 -6.064 -2.393 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.215 -4.511 -4.346 1.00 0.00 C ATOM 542 CD1 ILE A 36 59.464 -5.441 -1.006 1.00 0.00 C ATOM 0 H ILE A 36 62.671 -6.206 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 36 60.381 -7.042 -4.703 1.00 0.00 H new ATOM 0 HB ILE A 36 60.803 -4.600 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.247 -6.043 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.600 -7.111 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.613 -3.814 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.811 -3.957 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.559 -5.205 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.861 -5.992 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 36 60.513 -5.486 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 36 59.139 -4.401 -1.032 1.00 0.00 H new ATOM 554 N SER A 37 61.457 -5.879 -6.586 1.00 0.00 N ATOM 555 CA SER A 37 62.138 -5.201 -7.733 1.00 0.00 C ATOM 556 C SER A 37 61.096 -4.620 -8.703 1.00 0.00 C ATOM 557 O SER A 37 60.977 -5.059 -9.829 1.00 0.00 O ATOM 558 CB SER A 37 62.965 -6.298 -8.409 1.00 0.00 C ATOM 559 OG SER A 37 64.118 -5.716 -9.003 1.00 0.00 O ATOM 0 H SER A 37 60.785 -6.599 -6.849 1.00 0.00 H new ATOM 0 HA SER A 37 62.762 -4.367 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 37 63.259 -7.051 -7.678 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.368 -6.805 -9.167 1.00 0.00 H new ATOM 0 HG SER A 37 64.651 -6.415 -9.436 1.00 0.00 H new ATOM 565 N THR A 38 60.347 -3.629 -8.254 1.00 0.00 N ATOM 566 CA THR A 38 59.283 -2.953 -9.100 1.00 0.00 C ATOM 567 C THR A 38 58.106 -3.893 -9.449 1.00 0.00 C ATOM 568 O THR A 38 56.963 -3.484 -9.393 1.00 0.00 O ATOM 569 CB THR A 38 59.969 -2.422 -10.385 1.00 0.00 C ATOM 570 OG1 THR A 38 59.945 -3.413 -11.404 1.00 0.00 O ATOM 571 CG2 THR A 38 61.420 -2.017 -10.099 1.00 0.00 C ATOM 0 H THR A 38 60.428 -3.248 -7.311 1.00 0.00 H new ATOM 0 HA THR A 38 58.844 -2.136 -8.528 1.00 0.00 H new ATOM 0 HB THR A 38 59.418 -1.544 -10.723 1.00 0.00 H new ATOM 0 HG1 THR A 38 60.322 -4.248 -11.057 1.00 0.00 H new ATOM 0 HG21 THR A 38 61.882 -1.647 -11.015 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.436 -1.233 -9.342 1.00 0.00 H new ATOM 0 HG23 THR A 38 61.975 -2.883 -9.737 1.00 0.00 H new ATOM 579 N LYS A 39 58.368 -5.127 -9.827 1.00 0.00 N ATOM 580 CA LYS A 39 57.262 -6.077 -10.201 1.00 0.00 C ATOM 581 C LYS A 39 56.115 -6.053 -9.174 1.00 0.00 C ATOM 582 O LYS A 39 55.007 -5.659 -9.489 1.00 0.00 O ATOM 583 CB LYS A 39 57.924 -7.459 -10.243 1.00 0.00 C ATOM 584 CG LYS A 39 57.215 -8.334 -11.280 1.00 0.00 C ATOM 585 CD LYS A 39 57.703 -9.781 -11.150 1.00 0.00 C ATOM 586 CE LYS A 39 56.705 -10.591 -10.314 1.00 0.00 C ATOM 587 NZ LYS A 39 55.766 -11.193 -11.304 1.00 0.00 N ATOM 0 H LYS A 39 59.307 -5.520 -9.893 1.00 0.00 H new ATOM 0 HA LYS A 39 56.809 -5.804 -11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.980 -7.361 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.874 -7.928 -9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 39 56.136 -8.289 -11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 39 57.415 -7.961 -12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 39 57.812 -10.228 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 39 58.687 -9.802 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 39 57.212 -11.361 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 39 56.176 -9.954 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 55.053 -11.763 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 55.293 -10.436 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 56.296 -11.800 -11.961 1.00 0.00 H new ATOM 601 N GLU A 40 56.365 -6.467 -7.955 1.00 0.00 N ATOM 602 CA GLU A 40 55.276 -6.458 -6.924 1.00 0.00 C ATOM 603 C GLU A 40 54.948 -5.014 -6.509 1.00 0.00 C ATOM 604 O GLU A 40 53.818 -4.696 -6.186 1.00 0.00 O ATOM 605 CB GLU A 40 55.835 -7.249 -5.737 1.00 0.00 C ATOM 606 CG GLU A 40 54.692 -7.634 -4.789 1.00 0.00 C ATOM 607 CD GLU A 40 54.532 -9.157 -4.758 1.00 0.00 C ATOM 608 OE1 GLU A 40 53.924 -9.687 -5.673 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.016 -9.767 -3.820 1.00 0.00 O ATOM 0 H GLU A 40 57.269 -6.809 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 40 54.352 -6.897 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 40 56.344 -8.145 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.576 -6.651 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 40 54.898 -7.261 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 40 53.763 -7.168 -5.118 1.00 0.00 H new ATOM 616 N LEU A 41 55.929 -4.141 -6.523 1.00 0.00 N ATOM 617 CA LEU A 41 55.689 -2.714 -6.138 1.00 0.00 C ATOM 618 C LEU A 41 54.630 -2.084 -7.054 1.00 0.00 C ATOM 619 O LEU A 41 53.670 -1.496 -6.590 1.00 0.00 O ATOM 620 CB LEU A 41 57.051 -2.024 -6.319 1.00 0.00 C ATOM 621 CG LEU A 41 56.897 -0.497 -6.284 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.955 -0.080 -5.150 1.00 0.00 C ATOM 623 CD2 LEU A 41 58.269 0.138 -6.061 1.00 0.00 C ATOM 0 H LEU A 41 56.890 -4.358 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 41 55.315 -2.615 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.733 -2.343 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.495 -2.328 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 41 56.476 -0.160 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.857 1.006 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.975 -0.531 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 56.362 -0.417 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 41 58.168 1.223 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.682 -0.211 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.937 -0.145 -6.874 1.00 0.00 H new ATOM 635 N GLY A 42 54.798 -2.205 -8.347 1.00 0.00 N ATOM 636 CA GLY A 42 53.809 -1.616 -9.298 1.00 0.00 C ATOM 637 C GLY A 42 52.424 -2.228 -9.061 1.00 0.00 C ATOM 638 O GLY A 42 51.422 -1.544 -9.133 1.00 0.00 O ATOM 0 H GLY A 42 55.582 -2.689 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.765 -0.535 -9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.126 -1.800 -10.325 1.00 0.00 H new ATOM 642 N LYS A 43 52.361 -3.506 -8.768 1.00 0.00 N ATOM 643 CA LYS A 43 51.035 -4.157 -8.509 1.00 0.00 C ATOM 644 C LYS A 43 50.283 -3.389 -7.413 1.00 0.00 C ATOM 645 O LYS A 43 49.103 -3.116 -7.534 1.00 0.00 O ATOM 646 CB LYS A 43 51.368 -5.577 -8.042 1.00 0.00 C ATOM 647 CG LYS A 43 50.180 -6.501 -8.326 1.00 0.00 C ATOM 648 CD LYS A 43 50.691 -7.881 -8.748 1.00 0.00 C ATOM 649 CE LYS A 43 51.144 -8.660 -7.508 1.00 0.00 C ATOM 650 NZ LYS A 43 52.398 -9.358 -7.917 1.00 0.00 N ATOM 0 H LYS A 43 53.168 -4.126 -8.697 1.00 0.00 H new ATOM 0 HA LYS A 43 50.396 -4.164 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.257 -5.941 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.595 -5.577 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 43 49.555 -6.590 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 43 49.557 -6.077 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 43 49.904 -8.429 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 43 51.521 -7.775 -9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 43 51.323 -7.990 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 43 50.383 -9.373 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 52.940 -9.623 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 52.159 -10.214 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 52.971 -8.724 -8.510 1.00 0.00 H new ATOM 664 N VAL A 44 50.966 -3.025 -6.354 1.00 0.00 N ATOM 665 CA VAL A 44 50.304 -2.257 -5.254 1.00 0.00 C ATOM 666 C VAL A 44 50.121 -0.790 -5.680 1.00 0.00 C ATOM 667 O VAL A 44 49.101 -0.183 -5.408 1.00 0.00 O ATOM 668 CB VAL A 44 51.251 -2.364 -4.052 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.680 -1.563 -2.881 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.395 -3.832 -3.635 1.00 0.00 C ATOM 0 H VAL A 44 51.955 -3.227 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 44 49.315 -2.646 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 44 52.228 -1.967 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.352 -1.638 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.578 -0.517 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.702 -1.962 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.069 -3.903 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.418 -4.230 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.801 -4.408 -4.466 1.00 0.00 H new ATOM 680 N MET A 45 51.096 -0.223 -6.358 1.00 0.00 N ATOM 681 CA MET A 45 50.974 1.200 -6.819 1.00 0.00 C ATOM 682 C MET A 45 49.777 1.341 -7.776 1.00 0.00 C ATOM 683 O MET A 45 49.072 2.332 -7.757 1.00 0.00 O ATOM 684 CB MET A 45 52.288 1.508 -7.551 1.00 0.00 C ATOM 685 CG MET A 45 53.431 1.644 -6.539 1.00 0.00 C ATOM 686 SD MET A 45 53.506 3.345 -5.924 1.00 0.00 S ATOM 687 CE MET A 45 54.588 3.017 -4.510 1.00 0.00 C ATOM 0 H MET A 45 51.970 -0.685 -6.611 1.00 0.00 H new ATOM 0 HA MET A 45 50.807 1.887 -5.990 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.513 0.713 -8.262 1.00 0.00 H new ATOM 0 HB3 MET A 45 52.187 2.429 -8.125 1.00 0.00 H new ATOM 0 HG2 MET A 45 53.278 0.954 -5.709 1.00 0.00 H new ATOM 0 HG3 MET A 45 54.378 1.375 -7.007 1.00 0.00 H new ATOM 0 HE1 MET A 45 54.468 3.807 -3.769 1.00 0.00 H new ATOM 0 HE2 MET A 45 54.323 2.058 -4.064 1.00 0.00 H new ATOM 0 HE3 MET A 45 55.625 2.988 -4.844 1.00 0.00 H new ATOM 697 N ARG A 46 49.539 0.344 -8.601 1.00 0.00 N ATOM 698 CA ARG A 46 48.379 0.399 -9.550 1.00 0.00 C ATOM 699 C ARG A 46 47.060 0.430 -8.764 1.00 0.00 C ATOM 700 O ARG A 46 46.104 1.065 -9.166 1.00 0.00 O ATOM 701 CB ARG A 46 48.478 -0.885 -10.381 1.00 0.00 C ATOM 702 CG ARG A 46 47.542 -0.790 -11.591 1.00 0.00 C ATOM 703 CD ARG A 46 46.590 -1.991 -11.604 1.00 0.00 C ATOM 704 NE ARG A 46 45.686 -1.788 -10.434 1.00 0.00 N ATOM 705 CZ ARG A 46 45.369 -2.795 -9.670 1.00 0.00 C ATOM 706 NH1 ARG A 46 46.214 -3.230 -8.777 1.00 0.00 N ATOM 707 NH2 ARG A 46 44.205 -3.364 -9.802 1.00 0.00 N ATOM 0 H ARG A 46 50.100 -0.506 -8.657 1.00 0.00 H new ATOM 0 HA ARG A 46 48.401 1.290 -10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 46 49.505 -1.036 -10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 46 48.211 -1.747 -9.769 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.972 0.138 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 46 48.124 -0.765 -12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.025 -2.035 -12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 46 47.139 -2.929 -11.519 1.00 0.00 H new ATOM 0 HE ARG A 46 45.316 -0.859 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 46 47.125 -2.782 -8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.964 -4.018 -8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 46 43.546 -3.021 -10.501 1.00 0.00 H new ATOM 0 HH22 ARG A 46 43.952 -4.153 -9.206 1.00 0.00 H new ATOM 721 N MET A 47 47.010 -0.247 -7.640 1.00 0.00 N ATOM 722 CA MET A 47 45.764 -0.254 -6.812 1.00 0.00 C ATOM 723 C MET A 47 45.652 1.064 -6.030 1.00 0.00 C ATOM 724 O MET A 47 44.572 1.586 -5.831 1.00 0.00 O ATOM 725 CB MET A 47 45.923 -1.445 -5.859 1.00 0.00 C ATOM 726 CG MET A 47 44.561 -2.105 -5.631 1.00 0.00 C ATOM 727 SD MET A 47 44.800 -3.844 -5.185 1.00 0.00 S ATOM 728 CE MET A 47 45.002 -3.603 -3.401 1.00 0.00 C ATOM 0 H MET A 47 47.782 -0.796 -7.261 1.00 0.00 H new ATOM 0 HA MET A 47 44.861 -0.344 -7.415 1.00 0.00 H new ATOM 0 HB2 MET A 47 46.623 -2.168 -6.278 1.00 0.00 H new ATOM 0 HB3 MET A 47 46.340 -1.111 -4.909 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.022 -1.586 -4.839 1.00 0.00 H new ATOM 0 HG3 MET A 47 43.953 -2.030 -6.533 1.00 0.00 H new ATOM 0 HE1 MET A 47 45.164 -4.567 -2.920 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.860 -2.956 -3.216 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.104 -3.140 -2.992 1.00 0.00 H new ATOM 738 N LEU A 48 46.765 1.609 -5.598 1.00 0.00 N ATOM 739 CA LEU A 48 46.742 2.899 -4.843 1.00 0.00 C ATOM 740 C LEU A 48 47.860 3.819 -5.361 1.00 0.00 C ATOM 741 O LEU A 48 48.977 3.792 -4.879 1.00 0.00 O ATOM 742 CB LEU A 48 46.976 2.511 -3.378 1.00 0.00 C ATOM 743 CG LEU A 48 45.786 2.972 -2.530 1.00 0.00 C ATOM 744 CD1 LEU A 48 45.656 2.080 -1.294 1.00 0.00 C ATOM 745 CD2 LEU A 48 46.004 4.421 -2.086 1.00 0.00 C ATOM 0 H LEU A 48 47.694 1.211 -5.738 1.00 0.00 H new ATOM 0 HA LEU A 48 45.804 3.441 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.101 1.432 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 48 47.895 2.968 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 48 44.875 2.904 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 48 44.809 2.411 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 48 45.498 1.047 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 48 46.568 2.145 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 48 45.157 4.748 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 48 46.917 4.487 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 48 46.093 5.061 -2.964 1.00 0.00 H new ATOM 757 N GLY A 49 47.563 4.625 -6.353 1.00 0.00 N ATOM 758 CA GLY A 49 48.598 5.544 -6.922 1.00 0.00 C ATOM 759 C GLY A 49 48.347 5.736 -8.422 1.00 0.00 C ATOM 760 O GLY A 49 47.345 6.296 -8.824 1.00 0.00 O ATOM 0 H GLY A 49 46.645 4.685 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 49 48.564 6.506 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 49 49.594 5.132 -6.760 1.00 0.00 H new ATOM 764 N GLN A 50 49.254 5.276 -9.248 1.00 0.00 N ATOM 765 CA GLN A 50 49.081 5.423 -10.733 1.00 0.00 C ATOM 766 C GLN A 50 49.754 4.243 -11.456 1.00 0.00 C ATOM 767 O GLN A 50 49.135 3.565 -12.253 1.00 0.00 O ATOM 768 CB GLN A 50 49.747 6.761 -11.148 1.00 0.00 C ATOM 769 CG GLN A 50 50.489 7.431 -9.975 1.00 0.00 C ATOM 770 CD GLN A 50 51.882 6.820 -9.834 1.00 0.00 C ATOM 771 OE1 GLN A 50 52.091 5.937 -9.029 1.00 0.00 O ATOM 772 NE2 GLN A 50 52.847 7.248 -10.596 1.00 0.00 N ATOM 0 H GLN A 50 50.111 4.803 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 50 48.025 5.425 -11.003 1.00 0.00 H new ATOM 0 HB2 GLN A 50 50.448 6.579 -11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.985 7.441 -11.530 1.00 0.00 H new ATOM 0 HG2 GLN A 50 50.567 8.505 -10.147 1.00 0.00 H new ATOM 0 HG3 GLN A 50 49.927 7.296 -9.051 1.00 0.00 H new ATOM 0 HE21 GLN A 50 52.671 7.990 -11.273 1.00 0.00 H new ATOM 0 HE22 GLN A 50 53.779 6.841 -10.516 1.00 0.00 H new ATOM 781 N ASN A 51 51.012 3.994 -11.164 1.00 0.00 N ATOM 782 CA ASN A 51 51.758 2.857 -11.801 1.00 0.00 C ATOM 783 C ASN A 51 51.712 2.923 -13.341 1.00 0.00 C ATOM 784 O ASN A 51 50.966 2.196 -13.971 1.00 0.00 O ATOM 785 CB ASN A 51 51.067 1.587 -11.289 1.00 0.00 C ATOM 786 CG ASN A 51 51.855 0.357 -11.742 1.00 0.00 C ATOM 787 OD1 ASN A 51 52.990 0.175 -11.358 1.00 0.00 O ATOM 788 ND2 ASN A 51 51.300 -0.499 -12.553 1.00 0.00 N ATOM 0 H ASN A 51 51.562 4.540 -10.500 1.00 0.00 H new ATOM 0 HA ASN A 51 52.816 2.887 -11.540 1.00 0.00 H new ATOM 0 HB2 ASN A 51 51.002 1.609 -10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 51 50.046 1.538 -11.668 1.00 0.00 H new ATOM 0 HD21 ASN A 51 51.821 -1.320 -12.863 1.00 0.00 H new ATOM 0 HD22 ASN A 51 50.345 -0.348 -12.878 1.00 0.00 H new ATOM 795 N PRO A 52 52.539 3.778 -13.901 1.00 0.00 N ATOM 796 CA PRO A 52 52.609 3.909 -15.377 1.00 0.00 C ATOM 797 C PRO A 52 53.440 2.754 -15.970 1.00 0.00 C ATOM 798 O PRO A 52 52.944 1.957 -16.742 1.00 0.00 O ATOM 799 CB PRO A 52 53.294 5.258 -15.586 1.00 0.00 C ATOM 800 CG PRO A 52 54.088 5.503 -14.338 1.00 0.00 C ATOM 801 CD PRO A 52 53.467 4.694 -13.223 1.00 0.00 C ATOM 0 HA PRO A 52 51.636 3.862 -15.867 1.00 0.00 H new ATOM 0 HB2 PRO A 52 53.940 5.238 -16.464 1.00 0.00 H new ATOM 0 HB3 PRO A 52 52.562 6.049 -15.747 1.00 0.00 H new ATOM 0 HG2 PRO A 52 55.128 5.213 -14.485 1.00 0.00 H new ATOM 0 HG3 PRO A 52 54.085 6.564 -14.087 1.00 0.00 H new ATOM 0 HD2 PRO A 52 54.224 4.147 -12.661 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.944 5.334 -12.513 1.00 0.00 H new ATOM 809 N THR A 53 54.698 2.658 -15.605 1.00 0.00 N ATOM 810 CA THR A 53 55.570 1.565 -16.125 1.00 0.00 C ATOM 811 C THR A 53 56.376 0.953 -14.968 1.00 0.00 C ATOM 812 O THR A 53 56.504 1.561 -13.922 1.00 0.00 O ATOM 813 CB THR A 53 56.510 2.249 -17.123 1.00 0.00 C ATOM 814 OG1 THR A 53 56.927 3.509 -16.610 1.00 0.00 O ATOM 815 CG2 THR A 53 55.790 2.455 -18.457 1.00 0.00 C ATOM 0 H THR A 53 55.159 3.301 -14.961 1.00 0.00 H new ATOM 0 HA THR A 53 55.000 0.760 -16.589 1.00 0.00 H new ATOM 0 HB THR A 53 57.383 1.616 -17.277 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.529 3.940 -17.252 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.463 2.942 -19.163 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.482 1.489 -18.857 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.911 3.081 -18.303 1.00 0.00 H new ATOM 823 N PRO A 54 56.905 -0.229 -15.189 1.00 0.00 N ATOM 824 CA PRO A 54 57.714 -0.905 -14.134 1.00 0.00 C ATOM 825 C PRO A 54 59.034 -0.154 -13.904 1.00 0.00 C ATOM 826 O PRO A 54 59.561 -0.129 -12.806 1.00 0.00 O ATOM 827 CB PRO A 54 57.957 -2.300 -14.709 1.00 0.00 C ATOM 828 CG PRO A 54 57.833 -2.129 -16.190 1.00 0.00 C ATOM 829 CD PRO A 54 56.817 -1.039 -16.413 1.00 0.00 C ATOM 0 HA PRO A 54 57.219 -0.936 -13.163 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.943 -2.675 -14.435 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.228 -3.016 -14.331 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.793 -1.860 -16.631 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.514 -3.058 -16.662 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.049 -0.451 -17.301 1.00 0.00 H new ATOM 0 HD3 PRO A 54 55.816 -1.447 -16.553 1.00 0.00 H new ATOM 837 N GLU A 55 59.560 0.468 -14.932 1.00 0.00 N ATOM 838 CA GLU A 55 60.837 1.234 -14.788 1.00 0.00 C ATOM 839 C GLU A 55 60.621 2.463 -13.892 1.00 0.00 C ATOM 840 O GLU A 55 61.529 2.915 -13.220 1.00 0.00 O ATOM 841 CB GLU A 55 61.206 1.674 -16.209 1.00 0.00 C ATOM 842 CG GLU A 55 61.654 0.456 -17.031 1.00 0.00 C ATOM 843 CD GLU A 55 60.462 -0.174 -17.773 1.00 0.00 C ATOM 844 OE1 GLU A 55 59.478 0.518 -17.998 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.556 -1.344 -18.102 1.00 0.00 O ATOM 0 H GLU A 55 59.157 0.478 -15.869 1.00 0.00 H new ATOM 0 HA GLU A 55 61.623 0.634 -14.329 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.350 2.151 -16.686 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.005 2.415 -16.174 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.416 0.757 -17.749 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.110 -0.284 -16.373 1.00 0.00 H new ATOM 852 N GLU A 56 59.424 3.006 -13.884 1.00 0.00 N ATOM 853 CA GLU A 56 59.135 4.211 -13.040 1.00 0.00 C ATOM 854 C GLU A 56 59.361 3.919 -11.546 1.00 0.00 C ATOM 855 O GLU A 56 59.747 4.793 -10.794 1.00 0.00 O ATOM 856 CB GLU A 56 57.660 4.533 -13.300 1.00 0.00 C ATOM 857 CG GLU A 56 57.333 5.920 -12.732 1.00 0.00 C ATOM 858 CD GLU A 56 56.372 5.791 -11.546 1.00 0.00 C ATOM 859 OE1 GLU A 56 56.661 5.020 -10.645 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.362 6.471 -11.557 1.00 0.00 O ATOM 0 H GLU A 56 58.632 2.664 -14.428 1.00 0.00 H new ATOM 0 HA GLU A 56 59.795 5.041 -13.292 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.454 4.508 -14.370 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.024 3.779 -12.836 1.00 0.00 H new ATOM 0 HG2 GLU A 56 58.250 6.417 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 56 56.885 6.542 -13.507 1.00 0.00 H new ATOM 867 N LEU A 57 59.114 2.709 -11.106 1.00 0.00 N ATOM 868 CA LEU A 57 59.308 2.387 -9.658 1.00 0.00 C ATOM 869 C LEU A 57 60.742 1.913 -9.376 1.00 0.00 C ATOM 870 O LEU A 57 61.155 1.837 -8.235 1.00 0.00 O ATOM 871 CB LEU A 57 58.306 1.276 -9.352 1.00 0.00 C ATOM 872 CG LEU A 57 56.884 1.779 -9.623 1.00 0.00 C ATOM 873 CD1 LEU A 57 55.992 0.608 -10.031 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.320 2.428 -8.356 1.00 0.00 C ATOM 0 H LEU A 57 58.788 1.934 -11.684 1.00 0.00 H new ATOM 0 HA LEU A 57 59.150 3.266 -9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 57 58.517 0.402 -9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 57 58.400 0.963 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 57 56.911 2.512 -10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 57 54.982 0.970 -10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 57 56.389 0.145 -10.934 1.00 0.00 H new ATOM 0 HD13 LEU A 57 55.967 -0.128 -9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.309 2.785 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 57 56.297 1.694 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 57 56.952 3.267 -8.065 1.00 0.00 H new ATOM 886 N GLN A 58 61.512 1.605 -10.394 1.00 0.00 N ATOM 887 CA GLN A 58 62.915 1.158 -10.152 1.00 0.00 C ATOM 888 C GLN A 58 63.711 2.332 -9.565 1.00 0.00 C ATOM 889 O GLN A 58 64.390 2.191 -8.565 1.00 0.00 O ATOM 890 CB GLN A 58 63.432 0.715 -11.535 1.00 0.00 C ATOM 891 CG GLN A 58 64.792 1.351 -11.853 1.00 0.00 C ATOM 892 CD GLN A 58 65.779 0.263 -12.274 1.00 0.00 C ATOM 893 OE1 GLN A 58 65.870 -0.075 -13.435 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.530 -0.304 -11.372 1.00 0.00 N ATOM 0 H GLN A 58 61.229 1.644 -11.373 1.00 0.00 H new ATOM 0 HA GLN A 58 63.006 0.339 -9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.521 -0.371 -11.561 1.00 0.00 H new ATOM 0 HB3 GLN A 58 62.710 0.994 -12.302 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.684 2.086 -12.650 1.00 0.00 H new ATOM 0 HG3 GLN A 58 65.170 1.881 -10.979 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.455 -0.021 -10.395 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.193 -1.030 -11.643 1.00 0.00 H new ATOM 903 N GLU A 59 63.605 3.495 -10.165 1.00 0.00 N ATOM 904 CA GLU A 59 64.330 4.688 -9.629 1.00 0.00 C ATOM 905 C GLU A 59 63.841 4.991 -8.202 1.00 0.00 C ATOM 906 O GLU A 59 64.594 5.458 -7.368 1.00 0.00 O ATOM 907 CB GLU A 59 64.001 5.840 -10.594 1.00 0.00 C ATOM 908 CG GLU A 59 62.513 6.193 -10.510 1.00 0.00 C ATOM 909 CD GLU A 59 62.089 6.952 -11.770 1.00 0.00 C ATOM 910 OE1 GLU A 59 61.766 6.302 -12.751 1.00 0.00 O ATOM 911 OE2 GLU A 59 62.092 8.171 -11.731 1.00 0.00 O ATOM 0 H GLU A 59 63.048 3.668 -11.002 1.00 0.00 H new ATOM 0 HA GLU A 59 65.407 4.531 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 59 64.604 6.714 -10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 59 64.257 5.554 -11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 59 61.920 5.285 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 59 62.324 6.802 -9.626 1.00 0.00 H new ATOM 918 N MET A 60 62.589 4.700 -7.913 1.00 0.00 N ATOM 919 CA MET A 60 62.050 4.942 -6.538 1.00 0.00 C ATOM 920 C MET A 60 62.837 4.105 -5.520 1.00 0.00 C ATOM 921 O MET A 60 63.191 4.579 -4.456 1.00 0.00 O ATOM 922 CB MET A 60 60.582 4.493 -6.592 1.00 0.00 C ATOM 923 CG MET A 60 59.737 5.576 -7.269 1.00 0.00 C ATOM 924 SD MET A 60 58.732 6.425 -6.026 1.00 0.00 S ATOM 925 CE MET A 60 57.204 5.491 -6.286 1.00 0.00 C ATOM 0 H MET A 60 61.920 4.305 -8.574 1.00 0.00 H new ATOM 0 HA MET A 60 62.136 5.985 -6.234 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.498 3.556 -7.142 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.211 4.306 -5.584 1.00 0.00 H new ATOM 0 HG2 MET A 60 60.383 6.290 -7.779 1.00 0.00 H new ATOM 0 HG3 MET A 60 59.095 5.129 -8.028 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.434 5.858 -5.608 1.00 0.00 H new ATOM 0 HE2 MET A 60 56.871 5.618 -7.316 1.00 0.00 H new ATOM 0 HE3 MET A 60 57.386 4.434 -6.091 1.00 0.00 H new ATOM 935 N ILE A 61 63.132 2.869 -5.849 1.00 0.00 N ATOM 936 CA ILE A 61 63.917 2.003 -4.914 1.00 0.00 C ATOM 937 C ILE A 61 65.382 2.462 -4.892 1.00 0.00 C ATOM 938 O ILE A 61 65.984 2.580 -3.843 1.00 0.00 O ATOM 939 CB ILE A 61 63.806 0.579 -5.481 1.00 0.00 C ATOM 940 CG1 ILE A 61 62.493 -0.055 -5.008 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.989 -0.267 -4.989 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.307 -1.427 -5.675 1.00 0.00 C ATOM 0 H ILE A 61 62.862 2.423 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 61 63.544 2.054 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 61 63.821 0.620 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.502 -0.166 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.654 0.596 -5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.907 -1.276 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.923 0.184 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 61 64.978 -0.310 -3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 61 61.372 -1.873 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.278 -1.304 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.139 -2.078 -5.406 1.00 0.00 H new ATOM 954 N ASP A 62 65.954 2.714 -6.048 1.00 0.00 N ATOM 955 CA ASP A 62 67.383 3.161 -6.115 1.00 0.00 C ATOM 956 C ASP A 62 67.618 4.396 -5.229 1.00 0.00 C ATOM 957 O ASP A 62 68.667 4.540 -4.630 1.00 0.00 O ATOM 958 CB ASP A 62 67.627 3.498 -7.591 1.00 0.00 C ATOM 959 CG ASP A 62 67.933 2.217 -8.373 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.914 1.567 -8.051 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.181 1.908 -9.283 1.00 0.00 O ATOM 0 H ASP A 62 65.489 2.628 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 62 68.064 2.392 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.750 3.990 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.458 4.197 -7.681 1.00 0.00 H new ATOM 966 N GLU A 63 66.651 5.280 -5.131 1.00 0.00 N ATOM 967 CA GLU A 63 66.824 6.497 -4.270 1.00 0.00 C ATOM 968 C GLU A 63 67.115 6.080 -2.820 1.00 0.00 C ATOM 969 O GLU A 63 67.940 6.670 -2.150 1.00 0.00 O ATOM 970 CB GLU A 63 65.490 7.249 -4.361 1.00 0.00 C ATOM 971 CG GLU A 63 65.684 8.706 -3.920 1.00 0.00 C ATOM 972 CD GLU A 63 65.536 8.819 -2.399 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.443 8.594 -1.908 1.00 0.00 O ATOM 974 OE2 GLU A 63 66.520 9.135 -1.749 1.00 0.00 O ATOM 0 H GLU A 63 65.752 5.212 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 63 67.658 7.118 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.112 7.216 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.745 6.764 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.669 9.058 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 63 64.951 9.344 -4.413 1.00 0.00 H new ATOM 981 N VAL A 64 66.450 5.058 -2.340 1.00 0.00 N ATOM 982 CA VAL A 64 66.693 4.592 -0.938 1.00 0.00 C ATOM 983 C VAL A 64 67.472 3.263 -0.933 1.00 0.00 C ATOM 984 O VAL A 64 67.412 2.509 0.022 1.00 0.00 O ATOM 985 CB VAL A 64 65.297 4.407 -0.319 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.513 5.721 -0.395 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.529 3.315 -1.074 1.00 0.00 C ATOM 0 H VAL A 64 65.750 4.526 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 64 67.293 5.306 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 64 65.413 4.113 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.526 5.582 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.048 6.496 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.406 6.021 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.542 3.191 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.422 3.602 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.077 2.375 -1.010 1.00 0.00 H new ATOM 997 N ASP A 65 68.208 2.972 -1.983 1.00 0.00 N ATOM 998 CA ASP A 65 68.988 1.697 -2.020 1.00 0.00 C ATOM 999 C ASP A 65 70.445 1.960 -1.624 1.00 0.00 C ATOM 1000 O ASP A 65 71.263 2.349 -2.439 1.00 0.00 O ATOM 1001 CB ASP A 65 68.899 1.193 -3.472 1.00 0.00 C ATOM 1002 CG ASP A 65 69.419 -0.252 -3.565 1.00 0.00 C ATOM 1003 OD1 ASP A 65 70.532 -0.501 -3.132 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.695 -1.092 -4.068 1.00 0.00 O ATOM 0 H ASP A 65 68.300 3.561 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 65 68.595 0.959 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.866 1.239 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.483 1.840 -4.126 1.00 0.00 H new ATOM 1009 N GLU A 66 70.778 1.728 -0.383 1.00 0.00 N ATOM 1010 CA GLU A 66 72.188 1.937 0.068 1.00 0.00 C ATOM 1011 C GLU A 66 72.968 0.618 -0.076 1.00 0.00 C ATOM 1012 O GLU A 66 73.905 0.351 0.654 1.00 0.00 O ATOM 1013 CB GLU A 66 72.077 2.357 1.537 1.00 0.00 C ATOM 1014 CG GLU A 66 71.827 3.868 1.626 1.00 0.00 C ATOM 1015 CD GLU A 66 70.346 4.172 1.370 1.00 0.00 C ATOM 1016 OE1 GLU A 66 69.540 3.880 2.238 1.00 0.00 O ATOM 1017 OE2 GLU A 66 70.044 4.695 0.309 1.00 0.00 O ATOM 0 H GLU A 66 70.136 1.403 0.340 1.00 0.00 H new ATOM 0 HA GLU A 66 72.717 2.688 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.264 1.815 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 66 72.992 2.098 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 66 72.117 4.235 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 66 72.445 4.391 0.896 1.00 0.00 H new ATOM 1024 N ASP A 67 72.572 -0.207 -1.015 1.00 0.00 N ATOM 1025 CA ASP A 67 73.253 -1.517 -1.230 1.00 0.00 C ATOM 1026 C ASP A 67 74.083 -1.481 -2.515 1.00 0.00 C ATOM 1027 O ASP A 67 75.063 -2.188 -2.649 1.00 0.00 O ATOM 1028 CB ASP A 67 72.124 -2.546 -1.402 1.00 0.00 C ATOM 1029 CG ASP A 67 71.161 -2.547 -0.205 1.00 0.00 C ATOM 1030 OD1 ASP A 67 70.645 -1.498 0.137 1.00 0.00 O ATOM 1031 OD2 ASP A 67 70.909 -3.619 0.304 1.00 0.00 O ATOM 0 H ASP A 67 71.794 -0.023 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 67 73.919 -1.755 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 67 71.569 -2.327 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.554 -3.540 -1.522 1.00 0.00 H new ATOM 1036 N GLY A 68 73.666 -0.696 -3.480 1.00 0.00 N ATOM 1037 CA GLY A 68 74.395 -0.652 -4.781 1.00 0.00 C ATOM 1038 C GLY A 68 73.962 -1.866 -5.615 1.00 0.00 C ATOM 1039 O GLY A 68 74.640 -2.268 -6.540 1.00 0.00 O ATOM 0 H GLY A 68 72.852 -0.085 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.170 0.273 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.472 -0.670 -4.614 1.00 0.00 H new ATOM 1043 N SER A 69 72.832 -2.455 -5.280 1.00 0.00 N ATOM 1044 CA SER A 69 72.337 -3.648 -6.029 1.00 0.00 C ATOM 1045 C SER A 69 71.094 -3.284 -6.854 1.00 0.00 C ATOM 1046 O SER A 69 70.987 -3.648 -8.010 1.00 0.00 O ATOM 1047 CB SER A 69 71.997 -4.682 -4.948 1.00 0.00 C ATOM 1048 OG SER A 69 70.818 -4.285 -4.247 1.00 0.00 O ATOM 0 H SER A 69 72.231 -2.153 -4.513 1.00 0.00 H new ATOM 0 HA SER A 69 73.075 -4.030 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.847 -5.661 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.829 -4.779 -4.251 1.00 0.00 H new ATOM 0 HG SER A 69 70.606 -4.951 -3.560 1.00 0.00 H new ATOM 1054 N GLY A 70 70.158 -2.564 -6.278 1.00 0.00 N ATOM 1055 CA GLY A 70 68.932 -2.176 -7.049 1.00 0.00 C ATOM 1056 C GLY A 70 67.670 -2.767 -6.404 1.00 0.00 C ATOM 1057 O GLY A 70 66.647 -2.117 -6.342 1.00 0.00 O ATOM 0 H GLY A 70 70.189 -2.231 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.851 -1.090 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 70 69.018 -2.527 -8.077 1.00 0.00 H new ATOM 1061 N THR A 71 67.722 -3.991 -5.936 1.00 0.00 N ATOM 1062 CA THR A 71 66.502 -4.604 -5.304 1.00 0.00 C ATOM 1063 C THR A 71 66.295 -4.044 -3.891 1.00 0.00 C ATOM 1064 O THR A 71 67.247 -3.786 -3.174 1.00 0.00 O ATOM 1065 CB THR A 71 66.771 -6.114 -5.239 1.00 0.00 C ATOM 1066 OG1 THR A 71 67.358 -6.552 -6.458 1.00 0.00 O ATOM 1067 CG2 THR A 71 65.452 -6.856 -5.014 1.00 0.00 C ATOM 0 H THR A 71 68.547 -4.591 -5.962 1.00 0.00 H new ATOM 0 HA THR A 71 65.603 -4.381 -5.878 1.00 0.00 H new ATOM 0 HB THR A 71 67.454 -6.323 -4.416 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.529 -7.516 -6.411 1.00 0.00 H new ATOM 0 HG21 THR A 71 65.641 -7.928 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 71 65.004 -6.526 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.770 -6.643 -5.837 1.00 0.00 H new ATOM 1075 N VAL A 72 65.061 -3.859 -3.485 1.00 0.00 N ATOM 1076 CA VAL A 72 64.792 -3.317 -2.116 1.00 0.00 C ATOM 1077 C VAL A 72 64.453 -4.462 -1.143 1.00 0.00 C ATOM 1078 O VAL A 72 63.707 -5.369 -1.470 1.00 0.00 O ATOM 1079 CB VAL A 72 63.612 -2.336 -2.294 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.398 -2.763 -1.461 1.00 0.00 C ATOM 1081 CG2 VAL A 72 64.052 -0.938 -1.846 1.00 0.00 C ATOM 0 H VAL A 72 64.230 -4.060 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 72 65.657 -2.811 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 72 63.326 -2.334 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.586 -2.051 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.073 -3.755 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.671 -2.787 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 72 63.224 -0.239 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 72 64.349 -0.969 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 72 64.896 -0.610 -2.453 1.00 0.00 H new ATOM 1091 N ASP A 73 64.997 -4.422 0.049 1.00 0.00 N ATOM 1092 CA ASP A 73 64.714 -5.495 1.053 1.00 0.00 C ATOM 1093 C ASP A 73 63.927 -4.912 2.241 1.00 0.00 C ATOM 1094 O ASP A 73 63.398 -3.818 2.164 1.00 0.00 O ATOM 1095 CB ASP A 73 66.103 -6.002 1.486 1.00 0.00 C ATOM 1096 CG ASP A 73 66.637 -5.179 2.665 1.00 0.00 C ATOM 1097 OD1 ASP A 73 66.847 -3.992 2.491 1.00 0.00 O ATOM 1098 OD2 ASP A 73 66.821 -5.754 3.725 1.00 0.00 O ATOM 0 H ASP A 73 65.628 -3.688 0.371 1.00 0.00 H new ATOM 0 HA ASP A 73 64.103 -6.303 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.040 -7.053 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.797 -5.938 0.648 1.00 0.00 H new ATOM 1103 N PHE A 74 63.848 -5.629 3.337 1.00 0.00 N ATOM 1104 CA PHE A 74 63.097 -5.111 4.526 1.00 0.00 C ATOM 1105 C PHE A 74 63.774 -3.849 5.081 1.00 0.00 C ATOM 1106 O PHE A 74 63.117 -2.870 5.382 1.00 0.00 O ATOM 1107 CB PHE A 74 63.141 -6.243 5.558 1.00 0.00 C ATOM 1108 CG PHE A 74 62.133 -5.969 6.651 1.00 0.00 C ATOM 1109 CD1 PHE A 74 60.776 -5.848 6.336 1.00 0.00 C ATOM 1110 CD2 PHE A 74 62.558 -5.834 7.978 1.00 0.00 C ATOM 1111 CE1 PHE A 74 59.842 -5.595 7.346 1.00 0.00 C ATOM 1112 CE2 PHE A 74 61.624 -5.582 8.989 1.00 0.00 C ATOM 1113 CZ PHE A 74 60.265 -5.460 8.673 1.00 0.00 C ATOM 0 H PHE A 74 64.270 -6.549 3.460 1.00 0.00 H new ATOM 0 HA PHE A 74 62.074 -4.834 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 74 62.922 -7.196 5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.141 -6.323 5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.449 -5.950 5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 74 63.606 -5.924 8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 74 58.794 -5.504 7.102 1.00 0.00 H new ATOM 0 HE2 PHE A 74 61.951 -5.482 10.013 1.00 0.00 H new ATOM 0 HZ PHE A 74 59.544 -5.262 9.453 1.00 0.00 H new ATOM 1123 N ASP A 75 65.081 -3.862 5.209 1.00 0.00 N ATOM 1124 CA ASP A 75 65.806 -2.661 5.732 1.00 0.00 C ATOM 1125 C ASP A 75 65.504 -1.443 4.848 1.00 0.00 C ATOM 1126 O ASP A 75 65.091 -0.403 5.330 1.00 0.00 O ATOM 1127 CB ASP A 75 67.290 -3.035 5.662 1.00 0.00 C ATOM 1128 CG ASP A 75 68.131 -1.928 6.300 1.00 0.00 C ATOM 1129 OD1 ASP A 75 68.131 -1.837 7.516 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.762 -1.191 5.560 1.00 0.00 O ATOM 0 H ASP A 75 65.677 -4.655 4.973 1.00 0.00 H new ATOM 0 HA ASP A 75 65.506 -2.397 6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.462 -3.979 6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.590 -3.180 4.624 1.00 0.00 H new ATOM 1135 N GLU A 76 65.685 -1.577 3.555 1.00 0.00 N ATOM 1136 CA GLU A 76 65.389 -0.442 2.622 1.00 0.00 C ATOM 1137 C GLU A 76 63.909 -0.056 2.728 1.00 0.00 C ATOM 1138 O GLU A 76 63.555 1.107 2.666 1.00 0.00 O ATOM 1139 CB GLU A 76 65.698 -0.978 1.222 1.00 0.00 C ATOM 1140 CG GLU A 76 67.212 -1.088 1.034 1.00 0.00 C ATOM 1141 CD GLU A 76 67.515 -1.829 -0.268 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.591 -1.179 -1.292 1.00 0.00 O ATOM 1143 OE2 GLU A 76 67.671 -3.038 -0.221 1.00 0.00 O ATOM 0 H GLU A 76 66.026 -2.426 3.104 1.00 0.00 H new ATOM 0 HA GLU A 76 65.977 0.446 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.233 -1.954 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.275 -0.315 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.659 -0.094 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.656 -1.617 1.877 1.00 0.00 H new ATOM 1150 N PHE A 77 63.047 -1.031 2.899 1.00 0.00 N ATOM 1151 CA PHE A 77 61.584 -0.746 3.027 1.00 0.00 C ATOM 1152 C PHE A 77 61.329 0.210 4.200 1.00 0.00 C ATOM 1153 O PHE A 77 60.466 1.064 4.138 1.00 0.00 O ATOM 1154 CB PHE A 77 60.943 -2.111 3.305 1.00 0.00 C ATOM 1155 CG PHE A 77 59.576 -2.177 2.669 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.454 -2.448 1.302 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.431 -1.978 3.448 1.00 0.00 C ATOM 1158 CE1 PHE A 77 58.187 -2.516 0.712 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.163 -2.045 2.859 1.00 0.00 C ATOM 1160 CZ PHE A 77 57.041 -2.316 1.490 1.00 0.00 C ATOM 0 H PHE A 77 63.297 -2.018 2.956 1.00 0.00 H new ATOM 0 HA PHE A 77 61.176 -0.271 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.576 -2.906 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 77 60.861 -2.272 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 77 60.338 -2.605 0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 77 58.526 -1.773 4.504 1.00 0.00 H new ATOM 0 HE1 PHE A 77 58.093 -2.723 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.279 -1.888 3.460 1.00 0.00 H new ATOM 0 HZ PHE A 77 56.063 -2.371 1.035 1.00 0.00 H new ATOM 1170 N LEU A 78 62.076 0.068 5.266 1.00 0.00 N ATOM 1171 CA LEU A 78 61.887 0.961 6.451 1.00 0.00 C ATOM 1172 C LEU A 78 62.471 2.358 6.185 1.00 0.00 C ATOM 1173 O LEU A 78 61.921 3.353 6.615 1.00 0.00 O ATOM 1174 CB LEU A 78 62.641 0.270 7.593 1.00 0.00 C ATOM 1175 CG LEU A 78 61.945 -1.048 7.952 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.971 -2.030 8.521 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.858 -0.786 8.998 1.00 0.00 C ATOM 0 H LEU A 78 62.812 -0.631 5.367 1.00 0.00 H new ATOM 0 HA LEU A 78 60.832 1.108 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.672 0.078 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.676 0.923 8.465 1.00 0.00 H new ATOM 0 HG LEU A 78 61.492 -1.473 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.476 -2.967 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.745 -2.220 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.425 -1.604 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.364 -1.724 9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.310 -0.360 9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.125 -0.088 8.594 1.00 0.00 H new ATOM 1189 N VAL A 79 63.583 2.441 5.488 1.00 0.00 N ATOM 1190 CA VAL A 79 64.205 3.780 5.207 1.00 0.00 C ATOM 1191 C VAL A 79 63.265 4.666 4.374 1.00 0.00 C ATOM 1192 O VAL A 79 63.037 5.811 4.707 1.00 0.00 O ATOM 1193 CB VAL A 79 65.496 3.491 4.428 1.00 0.00 C ATOM 1194 CG1 VAL A 79 66.195 4.812 4.091 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.435 2.630 5.280 1.00 0.00 C ATOM 0 H VAL A 79 64.086 1.642 5.102 1.00 0.00 H new ATOM 0 HA VAL A 79 64.403 4.320 6.133 1.00 0.00 H new ATOM 0 HB VAL A 79 65.248 2.959 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 79 67.112 4.608 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.534 5.429 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 79 66.438 5.341 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.350 2.428 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.681 3.161 6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.944 1.688 5.524 1.00 0.00 H new ATOM 1205 N MET A 80 62.721 4.158 3.293 1.00 0.00 N ATOM 1206 CA MET A 80 61.802 5.003 2.458 1.00 0.00 C ATOM 1207 C MET A 80 60.481 5.267 3.200 1.00 0.00 C ATOM 1208 O MET A 80 59.808 6.248 2.943 1.00 0.00 O ATOM 1209 CB MET A 80 61.566 4.220 1.158 1.00 0.00 C ATOM 1210 CG MET A 80 60.772 2.941 1.433 1.00 0.00 C ATOM 1211 SD MET A 80 60.252 2.217 -0.142 1.00 0.00 S ATOM 1212 CE MET A 80 59.749 0.604 0.500 1.00 0.00 C ATOM 0 H MET A 80 62.870 3.207 2.954 1.00 0.00 H new ATOM 0 HA MET A 80 62.237 5.981 2.250 1.00 0.00 H new ATOM 0 HB2 MET A 80 61.026 4.843 0.445 1.00 0.00 H new ATOM 0 HB3 MET A 80 62.523 3.969 0.700 1.00 0.00 H new ATOM 0 HG2 MET A 80 61.384 2.231 1.990 1.00 0.00 H new ATOM 0 HG3 MET A 80 59.902 3.164 2.050 1.00 0.00 H new ATOM 0 HE1 MET A 80 58.799 0.314 0.051 1.00 0.00 H new ATOM 0 HE2 MET A 80 60.508 -0.138 0.254 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.636 0.662 1.583 1.00 0.00 H new ATOM 1222 N MET A 81 60.110 4.414 4.126 1.00 0.00 N ATOM 1223 CA MET A 81 58.843 4.640 4.885 1.00 0.00 C ATOM 1224 C MET A 81 59.036 5.783 5.892 1.00 0.00 C ATOM 1225 O MET A 81 58.256 6.716 5.930 1.00 0.00 O ATOM 1226 CB MET A 81 58.554 3.314 5.595 1.00 0.00 C ATOM 1227 CG MET A 81 57.054 3.202 5.886 1.00 0.00 C ATOM 1228 SD MET A 81 56.111 3.442 4.358 1.00 0.00 S ATOM 1229 CE MET A 81 56.180 1.734 3.766 1.00 0.00 C ATOM 0 H MET A 81 60.629 3.575 4.387 1.00 0.00 H new ATOM 0 HA MET A 81 58.014 4.928 4.239 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.877 2.479 4.973 1.00 0.00 H new ATOM 0 HB3 MET A 81 59.120 3.257 6.525 1.00 0.00 H new ATOM 0 HG2 MET A 81 56.829 2.224 6.313 1.00 0.00 H new ATOM 0 HG3 MET A 81 56.761 3.947 6.625 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.649 1.656 2.817 1.00 0.00 H new ATOM 0 HE2 MET A 81 57.220 1.439 3.625 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.712 1.076 4.498 1.00 0.00 H new ATOM 1239 N VAL A 82 60.079 5.734 6.693 1.00 0.00 N ATOM 1240 CA VAL A 82 60.320 6.844 7.677 1.00 0.00 C ATOM 1241 C VAL A 82 60.550 8.167 6.926 1.00 0.00 C ATOM 1242 O VAL A 82 60.280 9.234 7.443 1.00 0.00 O ATOM 1243 CB VAL A 82 61.566 6.454 8.495 1.00 0.00 C ATOM 1244 CG1 VAL A 82 61.330 5.119 9.208 1.00 0.00 C ATOM 1245 CG2 VAL A 82 62.786 6.327 7.577 1.00 0.00 C ATOM 0 H VAL A 82 60.767 4.981 6.709 1.00 0.00 H new ATOM 0 HA VAL A 82 59.462 6.986 8.335 1.00 0.00 H new ATOM 0 HB VAL A 82 61.751 7.234 9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 82 62.216 4.852 9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 82 60.476 5.211 9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.129 4.343 8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 82 63.659 6.051 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 82 62.598 5.559 6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 82 62.970 7.281 7.082 1.00 0.00 H new ATOM 1255 N ARG A 83 61.023 8.102 5.698 1.00 0.00 N ATOM 1256 CA ARG A 83 61.238 9.353 4.906 1.00 0.00 C ATOM 1257 C ARG A 83 59.876 10.004 4.623 1.00 0.00 C ATOM 1258 O ARG A 83 59.662 11.168 4.909 1.00 0.00 O ATOM 1259 CB ARG A 83 61.902 8.901 3.598 1.00 0.00 C ATOM 1260 CG ARG A 83 63.402 8.681 3.821 1.00 0.00 C ATOM 1261 CD ARG A 83 63.984 7.903 2.636 1.00 0.00 C ATOM 1262 NE ARG A 83 65.443 8.217 2.643 1.00 0.00 N ATOM 1263 CZ ARG A 83 66.058 8.489 1.527 1.00 0.00 C ATOM 1264 NH1 ARG A 83 65.958 9.676 1.004 1.00 0.00 N ATOM 1265 NH2 ARG A 83 66.787 7.578 0.944 1.00 0.00 N ATOM 0 H ARG A 83 61.267 7.237 5.215 1.00 0.00 H new ATOM 0 HA ARG A 83 61.855 10.083 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.439 7.979 3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.747 9.652 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.910 9.640 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.566 8.131 4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 83 63.811 6.832 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.520 8.208 1.698 1.00 0.00 H new ATOM 0 HE ARG A 83 65.959 8.219 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 83 65.399 10.392 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 83 66.439 9.891 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 83 66.876 6.652 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 83 67.268 7.792 0.070 1.00 0.00 H new ATOM 1279 N CYS A 84 58.949 9.245 4.082 1.00 0.00 N ATOM 1280 CA CYS A 84 57.584 9.794 3.794 1.00 0.00 C ATOM 1281 C CYS A 84 56.872 10.174 5.103 1.00 0.00 C ATOM 1282 O CYS A 84 55.982 11.003 5.113 1.00 0.00 O ATOM 1283 CB CYS A 84 56.838 8.659 3.086 1.00 0.00 C ATOM 1284 SG CYS A 84 55.247 9.270 2.472 1.00 0.00 S ATOM 0 H CYS A 84 59.081 8.266 3.827 1.00 0.00 H new ATOM 0 HA CYS A 84 57.626 10.697 3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.436 8.277 2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 84 56.679 7.829 3.775 1.00 0.00 H new ATOM 0 HG CYS A 84 54.834 10.242 3.230 1.00 0.00 H new ATOM 1290 N MET A 85 57.266 9.580 6.210 1.00 0.00 N ATOM 1291 CA MET A 85 56.626 9.916 7.523 1.00 0.00 C ATOM 1292 C MET A 85 56.943 11.370 7.926 1.00 0.00 C ATOM 1293 O MET A 85 56.286 11.930 8.780 1.00 0.00 O ATOM 1294 CB MET A 85 57.240 8.941 8.534 1.00 0.00 C ATOM 1295 CG MET A 85 56.470 7.619 8.512 1.00 0.00 C ATOM 1296 SD MET A 85 56.924 6.636 9.964 1.00 0.00 S ATOM 1297 CE MET A 85 57.262 5.082 9.100 1.00 0.00 C ATOM 0 H MET A 85 58.004 8.877 6.258 1.00 0.00 H new ATOM 0 HA MET A 85 55.541 9.829 7.476 1.00 0.00 H new ATOM 0 HB2 MET A 85 58.289 8.766 8.293 1.00 0.00 H new ATOM 0 HB3 MET A 85 57.210 9.373 9.534 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.397 7.810 8.509 1.00 0.00 H new ATOM 0 HG3 MET A 85 56.698 7.068 7.600 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.715 4.372 9.792 1.00 0.00 H new ATOM 0 HE2 MET A 85 56.329 4.669 8.716 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.945 5.268 8.271 1.00 0.00 H new ATOM 1307 N LYS A 86 57.948 11.972 7.312 1.00 0.00 N ATOM 1308 CA LYS A 86 58.342 13.389 7.629 1.00 0.00 C ATOM 1309 C LYS A 86 58.916 13.492 9.053 1.00 0.00 C ATOM 1310 O LYS A 86 60.108 13.660 9.230 1.00 0.00 O ATOM 1311 CB LYS A 86 57.071 14.245 7.472 1.00 0.00 C ATOM 1312 CG LYS A 86 56.483 14.057 6.066 1.00 0.00 C ATOM 1313 CD LYS A 86 55.016 14.507 6.050 1.00 0.00 C ATOM 1314 CE LYS A 86 54.162 13.537 6.876 1.00 0.00 C ATOM 1315 NZ LYS A 86 53.801 12.437 5.936 1.00 0.00 N ATOM 0 H LYS A 86 58.519 11.529 6.592 1.00 0.00 H new ATOM 0 HA LYS A 86 59.125 13.739 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 86 56.335 13.960 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 86 57.307 15.296 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 86 57.058 14.634 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 86 56.555 13.011 5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 86 54.932 15.515 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 86 54.649 14.545 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 86 54.717 13.156 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 86 53.272 14.030 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 53.161 11.770 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 53.327 12.836 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 54.663 11.937 5.639 1.00 0.00 H new ATOM 1329 N ASP A 87 58.089 13.392 10.064 1.00 0.00 N ATOM 1330 CA ASP A 87 58.601 13.485 11.465 1.00 0.00 C ATOM 1331 C ASP A 87 58.220 12.232 12.263 1.00 0.00 C ATOM 1332 O ASP A 87 57.066 11.852 12.329 1.00 0.00 O ATOM 1333 CB ASP A 87 57.927 14.729 12.049 1.00 0.00 C ATOM 1334 CG ASP A 87 58.780 15.280 13.192 1.00 0.00 C ATOM 1335 OD1 ASP A 87 58.714 14.725 14.276 1.00 0.00 O ATOM 1336 OD2 ASP A 87 59.487 16.247 12.962 1.00 0.00 O ATOM 0 H ASP A 87 57.082 13.250 9.979 1.00 0.00 H new ATOM 0 HA ASP A 87 59.688 13.555 11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 87 57.804 15.486 11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 87 56.930 14.479 12.412 1.00 0.00 H new ATOM 1341 N ASP A 88 59.187 11.589 12.870 1.00 0.00 N ATOM 1342 CA ASP A 88 58.898 10.359 13.671 1.00 0.00 C ATOM 1343 C ASP A 88 60.009 10.124 14.706 1.00 0.00 C ATOM 1344 O ASP A 88 61.144 10.520 14.508 1.00 0.00 O ATOM 1345 CB ASP A 88 58.855 9.219 12.644 1.00 0.00 C ATOM 1346 CG ASP A 88 58.851 7.867 13.364 1.00 0.00 C ATOM 1347 OD1 ASP A 88 57.819 7.511 13.908 1.00 0.00 O ATOM 1348 OD2 ASP A 88 59.881 7.214 13.361 1.00 0.00 O ATOM 0 H ASP A 88 60.169 11.865 12.845 1.00 0.00 H new ATOM 0 HA ASP A 88 57.965 10.436 14.229 1.00 0.00 H new ATOM 0 HB2 ASP A 88 57.965 9.312 12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 88 59.716 9.284 11.979 1.00 0.00 H new ATOM 1353 N SER A 89 59.681 9.479 15.804 1.00 0.00 N ATOM 1354 CA SER A 89 60.697 9.199 16.875 1.00 0.00 C ATOM 1355 C SER A 89 61.371 10.504 17.346 1.00 0.00 C ATOM 1356 O SER A 89 60.673 11.500 17.465 1.00 0.00 O ATOM 1357 CB SER A 89 61.711 8.246 16.227 1.00 0.00 C ATOM 1358 OG SER A 89 61.154 6.937 16.165 1.00 0.00 O ATOM 1359 OXT SER A 89 62.568 10.485 17.594 1.00 0.00 O ATOM 0 H SER A 89 58.744 9.131 16.006 1.00 0.00 H new ATOM 0 HA SER A 89 60.246 8.758 17.764 1.00 0.00 H new ATOM 0 HB2 SER A 89 61.965 8.593 15.226 1.00 0.00 H new ATOM 0 HB3 SER A 89 62.636 8.233 16.804 1.00 0.00 H new ATOM 0 HG SER A 89 60.671 6.827 15.319 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 52.620 13.724 -13.241 1.00 0.00 N ATOM 1367 CA ARG B 144 51.788 13.431 -12.033 1.00 0.00 C ATOM 1368 C ARG B 144 52.682 13.228 -10.801 1.00 0.00 C ATOM 1369 O ARG B 144 53.881 13.053 -10.915 1.00 0.00 O ATOM 1370 CB ARG B 144 51.032 12.139 -12.366 1.00 0.00 C ATOM 1371 CG ARG B 144 49.671 12.142 -11.659 1.00 0.00 C ATOM 1372 CD ARG B 144 49.455 10.803 -10.946 1.00 0.00 C ATOM 1373 NE ARG B 144 48.007 10.493 -11.140 1.00 0.00 N ATOM 1374 CZ ARG B 144 47.209 10.410 -10.113 1.00 0.00 C ATOM 1375 NH1 ARG B 144 47.058 9.273 -9.497 1.00 0.00 N ATOM 1376 NH2 ARG B 144 46.556 11.463 -9.709 1.00 0.00 N ATOM 0 HA ARG B 144 51.109 14.251 -11.799 1.00 0.00 H new ATOM 0 HB2 ARG B 144 50.893 12.055 -13.444 1.00 0.00 H new ATOM 0 HB3 ARG B 144 51.615 11.273 -12.051 1.00 0.00 H new ATOM 0 HG2 ARG B 144 49.626 12.959 -10.939 1.00 0.00 H new ATOM 0 HG3 ARG B 144 48.875 12.312 -12.384 1.00 0.00 H new ATOM 0 HD2 ARG B 144 50.086 10.023 -11.371 1.00 0.00 H new ATOM 0 HD3 ARG B 144 49.705 10.874 -9.888 1.00 0.00 H new ATOM 0 HE ARG B 144 47.641 10.346 -12.081 1.00 0.00 H new ATOM 0 HH11 ARG B 144 47.564 8.448 -9.818 1.00 0.00 H new ATOM 0 HH12 ARG B 144 46.434 9.207 -8.693 1.00 0.00 H new ATOM 0 HH21 ARG B 144 46.670 12.352 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG B 144 45.931 11.398 -8.905 1.00 0.00 H new ATOM 1392 N ARG B 145 52.103 13.249 -9.627 1.00 0.00 N ATOM 1393 CA ARG B 145 52.906 13.056 -8.381 1.00 0.00 C ATOM 1394 C ARG B 145 52.161 12.128 -7.412 1.00 0.00 C ATOM 1395 O ARG B 145 51.059 12.419 -6.983 1.00 0.00 O ATOM 1396 CB ARG B 145 53.055 14.462 -7.788 1.00 0.00 C ATOM 1397 CG ARG B 145 53.872 14.397 -6.493 1.00 0.00 C ATOM 1398 CD ARG B 145 55.363 14.292 -6.831 1.00 0.00 C ATOM 1399 NE ARG B 145 55.775 12.942 -6.350 1.00 0.00 N ATOM 1400 CZ ARG B 145 56.454 12.821 -5.244 1.00 0.00 C ATOM 1401 NH1 ARG B 145 57.709 13.167 -5.208 1.00 0.00 N ATOM 1402 NH2 ARG B 145 55.874 12.355 -4.175 1.00 0.00 N ATOM 0 H ARG B 145 51.104 13.392 -9.477 1.00 0.00 H new ATOM 0 HA ARG B 145 53.874 12.594 -8.574 1.00 0.00 H new ATOM 0 HB2 ARG B 145 53.546 15.119 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG B 145 52.072 14.888 -7.587 1.00 0.00 H new ATOM 0 HG2 ARG B 145 53.687 15.286 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG B 145 53.562 13.538 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG B 145 55.533 14.398 -7.902 1.00 0.00 H new ATOM 0 HD3 ARG B 145 55.935 15.078 -6.338 1.00 0.00 H new ATOM 0 HE ARG B 145 55.525 12.112 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG B 145 58.161 13.533 -6.046 1.00 0.00 H new ATOM 0 HH12 ARG B 145 58.240 13.072 -4.342 1.00 0.00 H new ATOM 0 HH21 ARG B 145 54.891 12.086 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG B 145 56.403 12.259 -3.308 1.00 0.00 H new ATOM 1416 N VAL B 146 52.755 11.014 -7.068 1.00 0.00 N ATOM 1417 CA VAL B 146 52.086 10.060 -6.127 1.00 0.00 C ATOM 1418 C VAL B 146 52.500 10.350 -4.675 1.00 0.00 C ATOM 1419 O VAL B 146 53.460 11.055 -4.422 1.00 0.00 O ATOM 1420 CB VAL B 146 52.556 8.666 -6.571 1.00 0.00 C ATOM 1421 CG1 VAL B 146 53.960 8.383 -6.031 1.00 0.00 C ATOM 1422 CG2 VAL B 146 51.584 7.612 -6.040 1.00 0.00 C ATOM 0 H VAL B 146 53.675 10.722 -7.397 1.00 0.00 H new ATOM 0 HA VAL B 146 51.000 10.147 -6.156 1.00 0.00 H new ATOM 0 HB VAL B 146 52.583 8.630 -7.660 1.00 0.00 H new ATOM 0 HG11 VAL B 146 54.281 7.392 -6.353 1.00 0.00 H new ATOM 0 HG12 VAL B 146 54.654 9.131 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL B 146 53.946 8.424 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL B 146 51.914 6.622 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL B 146 51.557 7.658 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL B 146 50.587 7.804 -6.436 1.00 0.00 H new ATOM 1432 N ARG B 147 51.776 9.812 -3.724 1.00 0.00 N ATOM 1433 CA ARG B 147 52.113 10.052 -2.284 1.00 0.00 C ATOM 1434 C ARG B 147 52.415 8.723 -1.577 1.00 0.00 C ATOM 1435 O ARG B 147 53.452 8.565 -0.964 1.00 0.00 O ATOM 1436 CB ARG B 147 50.864 10.711 -1.686 1.00 0.00 C ATOM 1437 CG ARG B 147 50.925 12.226 -1.907 1.00 0.00 C ATOM 1438 CD ARG B 147 50.407 12.558 -3.311 1.00 0.00 C ATOM 1439 NE ARG B 147 49.939 13.974 -3.234 1.00 0.00 N ATOM 1440 CZ ARG B 147 50.440 14.874 -4.035 1.00 0.00 C ATOM 1441 NH1 ARG B 147 50.297 14.754 -5.325 1.00 0.00 N ATOM 1442 NH2 ARG B 147 51.076 15.898 -3.543 1.00 0.00 N ATOM 0 H ARG B 147 50.964 9.215 -3.882 1.00 0.00 H new ATOM 0 HA ARG B 147 52.998 10.678 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG B 147 49.967 10.302 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG B 147 50.800 10.491 -0.620 1.00 0.00 H new ATOM 0 HG2 ARG B 147 50.325 12.739 -1.155 1.00 0.00 H new ATOM 0 HG3 ARG B 147 51.949 12.580 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG B 147 51.193 12.444 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG B 147 49.595 11.890 -3.599 1.00 0.00 H new ATOM 0 HE ARG B 147 49.226 14.238 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG B 147 49.793 13.955 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG B 147 50.689 15.459 -5.949 1.00 0.00 H new ATOM 0 HH21 ARG B 147 51.182 15.996 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG B 147 51.468 16.603 -4.167 1.00 0.00 H new ATOM 1456 N ILE B 148 51.509 7.774 -1.662 1.00 0.00 N ATOM 1457 CA ILE B 148 51.712 6.440 -1.003 1.00 0.00 C ATOM 1458 C ILE B 148 51.879 6.606 0.519 1.00 0.00 C ATOM 1459 O ILE B 148 52.980 6.607 1.040 1.00 0.00 O ATOM 1460 CB ILE B 148 52.984 5.843 -1.630 1.00 0.00 C ATOM 1461 CG1 ILE B 148 52.915 5.925 -3.164 1.00 0.00 C ATOM 1462 CG2 ILE B 148 53.120 4.379 -1.207 1.00 0.00 C ATOM 1463 CD1 ILE B 148 51.711 5.131 -3.684 1.00 0.00 C ATOM 0 H ILE B 148 50.627 7.868 -2.166 1.00 0.00 H new ATOM 0 HA ILE B 148 50.853 5.787 -1.155 1.00 0.00 H new ATOM 0 HB ILE B 148 53.847 6.412 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE B 148 52.835 6.966 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE B 148 53.834 5.531 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE B 148 54.021 3.954 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE B 148 53.187 4.319 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.249 3.819 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE B 148 51.674 5.197 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE B 148 51.808 4.087 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE B 148 50.794 5.544 -3.264 1.00 0.00 H new ATOM 1475 N SER B 149 50.788 6.740 1.234 1.00 0.00 N ATOM 1476 CA SER B 149 50.873 6.899 2.722 1.00 0.00 C ATOM 1477 C SER B 149 51.109 5.541 3.394 1.00 0.00 C ATOM 1478 O SER B 149 50.503 4.547 3.034 1.00 0.00 O ATOM 1479 CB SER B 149 49.520 7.472 3.147 1.00 0.00 C ATOM 1480 OG SER B 149 49.450 7.502 4.569 1.00 0.00 O ATOM 0 H SER B 149 49.842 6.746 0.852 1.00 0.00 H new ATOM 0 HA SER B 149 51.700 7.547 3.013 1.00 0.00 H new ATOM 0 HB2 SER B 149 49.394 8.477 2.744 1.00 0.00 H new ATOM 0 HB3 SER B 149 48.711 6.863 2.744 1.00 0.00 H new ATOM 0 HG SER B 149 48.585 7.870 4.846 1.00 0.00 H new ATOM 1486 N ALA B 150 51.982 5.496 4.371 1.00 0.00 N ATOM 1487 CA ALA B 150 52.265 4.207 5.082 1.00 0.00 C ATOM 1488 C ALA B 150 50.979 3.637 5.699 1.00 0.00 C ATOM 1489 O ALA B 150 50.729 2.449 5.632 1.00 0.00 O ATOM 1490 CB ALA B 150 53.274 4.568 6.177 1.00 0.00 C ATOM 0 H ALA B 150 52.513 6.299 4.709 1.00 0.00 H new ATOM 0 HA ALA B 150 52.652 3.444 4.406 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.532 3.673 6.744 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.174 4.980 5.721 1.00 0.00 H new ATOM 0 HB3 ALA B 150 52.835 5.308 6.847 1.00 0.00 H new ATOM 1496 N ASP B 151 50.160 4.474 6.291 1.00 0.00 N ATOM 1497 CA ASP B 151 48.887 3.980 6.905 1.00 0.00 C ATOM 1498 C ASP B 151 47.928 3.479 5.814 1.00 0.00 C ATOM 1499 O ASP B 151 47.358 2.410 5.922 1.00 0.00 O ATOM 1500 CB ASP B 151 48.293 5.195 7.628 1.00 0.00 C ATOM 1501 CG ASP B 151 47.073 4.763 8.443 1.00 0.00 C ATOM 1502 OD1 ASP B 151 47.258 4.343 9.573 1.00 0.00 O ATOM 1503 OD2 ASP B 151 45.974 4.856 7.922 1.00 0.00 O ATOM 0 H ASP B 151 50.319 5.478 6.375 1.00 0.00 H new ATOM 0 HA ASP B 151 49.056 3.145 7.585 1.00 0.00 H new ATOM 0 HB2 ASP B 151 49.041 5.642 8.283 1.00 0.00 H new ATOM 0 HB3 ASP B 151 48.007 5.958 6.904 1.00 0.00 H new ATOM 1508 N ALA B 152 47.751 4.248 4.765 1.00 0.00 N ATOM 1509 CA ALA B 152 46.830 3.828 3.660 1.00 0.00 C ATOM 1510 C ALA B 152 47.295 2.504 3.039 1.00 0.00 C ATOM 1511 O ALA B 152 46.510 1.596 2.848 1.00 0.00 O ATOM 1512 CB ALA B 152 46.899 4.960 2.632 1.00 0.00 C ATOM 0 H ALA B 152 48.206 5.150 4.626 1.00 0.00 H new ATOM 0 HA ALA B 152 45.814 3.662 4.018 1.00 0.00 H new ATOM 0 HB1 ALA B 152 46.249 4.726 1.789 1.00 0.00 H new ATOM 0 HB2 ALA B 152 46.573 5.892 3.094 1.00 0.00 H new ATOM 0 HB3 ALA B 152 47.925 5.070 2.280 1.00 0.00 H new ATOM 1518 N MET B 153 48.564 2.385 2.729 1.00 0.00 N ATOM 1519 CA MET B 153 49.074 1.113 2.125 1.00 0.00 C ATOM 1520 C MET B 153 48.936 -0.043 3.126 1.00 0.00 C ATOM 1521 O MET B 153 48.575 -1.146 2.760 1.00 0.00 O ATOM 1522 CB MET B 153 50.549 1.376 1.804 1.00 0.00 C ATOM 1523 CG MET B 153 50.862 0.861 0.399 1.00 0.00 C ATOM 1524 SD MET B 153 52.653 0.729 0.192 1.00 0.00 S ATOM 1525 CE MET B 153 52.699 1.075 -1.583 1.00 0.00 C ATOM 0 H MET B 153 49.267 3.111 2.868 1.00 0.00 H new ATOM 0 HA MET B 153 48.513 0.831 1.234 1.00 0.00 H new ATOM 0 HB2 MET B 153 50.762 2.443 1.868 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.186 0.879 2.536 1.00 0.00 H new ATOM 0 HG2 MET B 153 50.394 -0.111 0.244 1.00 0.00 H new ATOM 0 HG3 MET B 153 50.447 1.537 -0.349 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.574 1.684 -1.813 1.00 0.00 H new ATOM 0 HE2 MET B 153 52.755 0.137 -2.135 1.00 0.00 H new ATOM 0 HE3 MET B 153 51.796 1.613 -1.872 1.00 0.00 H new ATOM 1535 N MET B 154 49.212 0.204 4.385 1.00 0.00 N ATOM 1536 CA MET B 154 49.086 -0.879 5.413 1.00 0.00 C ATOM 1537 C MET B 154 47.625 -1.343 5.517 1.00 0.00 C ATOM 1538 O MET B 154 47.342 -2.526 5.502 1.00 0.00 O ATOM 1539 CB MET B 154 49.552 -0.244 6.729 1.00 0.00 C ATOM 1540 CG MET B 154 49.959 -1.343 7.714 1.00 0.00 C ATOM 1541 SD MET B 154 51.689 -1.800 7.428 1.00 0.00 S ATOM 1542 CE MET B 154 52.363 -1.152 8.979 1.00 0.00 C ATOM 0 H MET B 154 49.519 1.108 4.745 1.00 0.00 H new ATOM 0 HA MET B 154 49.679 -1.758 5.161 1.00 0.00 H new ATOM 0 HB2 MET B 154 50.394 0.423 6.544 1.00 0.00 H new ATOM 0 HB3 MET B 154 48.753 0.362 7.155 1.00 0.00 H new ATOM 0 HG2 MET B 154 49.828 -0.995 8.739 1.00 0.00 H new ATOM 0 HG3 MET B 154 49.316 -2.214 7.589 1.00 0.00 H new ATOM 0 HE1 MET B 154 53.382 -0.803 8.815 1.00 0.00 H new ATOM 0 HE2 MET B 154 51.747 -0.322 9.325 1.00 0.00 H new ATOM 0 HE3 MET B 154 52.366 -1.940 9.732 1.00 0.00 H new ATOM 1552 N GLN B 155 46.697 -0.419 5.612 1.00 0.00 N ATOM 1553 CA GLN B 155 45.251 -0.805 5.707 1.00 0.00 C ATOM 1554 C GLN B 155 44.767 -1.410 4.379 1.00 0.00 C ATOM 1555 O GLN B 155 43.976 -2.335 4.365 1.00 0.00 O ATOM 1556 CB GLN B 155 44.501 0.499 6.013 1.00 0.00 C ATOM 1557 CG GLN B 155 44.016 0.484 7.467 1.00 0.00 C ATOM 1558 CD GLN B 155 45.194 0.749 8.410 1.00 0.00 C ATOM 1559 OE1 GLN B 155 45.806 -0.173 8.906 1.00 0.00 O ATOM 1560 NE2 GLN B 155 45.539 1.977 8.679 1.00 0.00 N ATOM 0 H GLN B 155 46.878 0.585 5.628 1.00 0.00 H new ATOM 0 HA GLN B 155 45.081 -1.559 6.476 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.155 1.355 5.846 1.00 0.00 H new ATOM 0 HB3 GLN B 155 43.653 0.610 5.337 1.00 0.00 H new ATOM 0 HG2 GLN B 155 43.246 1.242 7.611 1.00 0.00 H new ATOM 0 HG3 GLN B 155 43.562 -0.480 7.699 1.00 0.00 H new ATOM 0 HE21 GLN B 155 45.025 2.754 8.263 1.00 0.00 H new ATOM 0 HE22 GLN B 155 46.322 2.161 9.306 1.00 0.00 H new ATOM 1569 N ALA B 156 45.236 -0.897 3.266 1.00 0.00 N ATOM 1570 CA ALA B 156 44.807 -1.442 1.937 1.00 0.00 C ATOM 1571 C ALA B 156 45.382 -2.850 1.709 1.00 0.00 C ATOM 1572 O ALA B 156 44.788 -3.663 1.027 1.00 0.00 O ATOM 1573 CB ALA B 156 45.371 -0.463 0.905 1.00 0.00 C ATOM 0 H ALA B 156 45.899 -0.123 3.220 1.00 0.00 H new ATOM 0 HA ALA B 156 43.723 -1.535 1.870 1.00 0.00 H new ATOM 0 HB1 ALA B 156 45.099 -0.794 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA B 156 44.960 0.531 1.083 1.00 0.00 H new ATOM 0 HB3 ALA B 156 46.457 -0.427 0.993 1.00 0.00 H new ATOM 1579 N LEU B 157 46.531 -3.141 2.271 1.00 0.00 N ATOM 1580 CA LEU B 157 47.141 -4.495 2.086 1.00 0.00 C ATOM 1581 C LEU B 157 46.572 -5.486 3.112 1.00 0.00 C ATOM 1582 O LEU B 157 46.415 -6.658 2.830 1.00 0.00 O ATOM 1583 CB LEU B 157 48.643 -4.289 2.311 1.00 0.00 C ATOM 1584 CG LEU B 157 49.425 -5.476 1.738 1.00 0.00 C ATOM 1585 CD1 LEU B 157 49.767 -5.206 0.270 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.720 -5.661 2.532 1.00 0.00 C ATOM 0 H LEU B 157 47.072 -2.499 2.850 1.00 0.00 H new ATOM 0 HA LEU B 157 46.929 -4.909 1.100 1.00 0.00 H new ATOM 0 HB2 LEU B 157 48.967 -3.364 1.834 1.00 0.00 H new ATOM 0 HB3 LEU B 157 48.849 -4.187 3.376 1.00 0.00 H new ATOM 0 HG LEU B 157 48.817 -6.378 1.810 1.00 0.00 H new ATOM 0 HD11 LEU B 157 50.323 -6.051 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU B 157 48.847 -5.070 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU B 157 50.375 -4.304 0.198 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.278 -6.505 2.126 1.00 0.00 H new ATOM 0 HD22 LEU B 157 51.324 -4.757 2.458 1.00 0.00 H new ATOM 0 HD23 LEU B 157 50.481 -5.853 3.578 1.00 0.00 H new ATOM 1598 N LEU B 158 46.268 -5.025 4.301 1.00 0.00 N ATOM 1599 CA LEU B 158 45.715 -5.942 5.346 1.00 0.00 C ATOM 1600 C LEU B 158 44.179 -5.875 5.356 1.00 0.00 C ATOM 1601 O LEU B 158 43.558 -5.760 6.397 1.00 0.00 O ATOM 1602 CB LEU B 158 46.297 -5.425 6.671 1.00 0.00 C ATOM 1603 CG LEU B 158 47.632 -6.119 6.982 1.00 0.00 C ATOM 1604 CD1 LEU B 158 47.388 -7.595 7.300 1.00 0.00 C ATOM 1605 CD2 LEU B 158 48.580 -6.011 5.783 1.00 0.00 C ATOM 0 H LEU B 158 46.379 -4.054 4.593 1.00 0.00 H new ATOM 0 HA LEU B 158 45.978 -6.985 5.167 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.446 -4.347 6.613 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.590 -5.606 7.480 1.00 0.00 H new ATOM 0 HG LEU B 158 48.086 -5.628 7.843 1.00 0.00 H new ATOM 0 HD11 LEU B 158 48.338 -8.082 7.520 1.00 0.00 H new ATOM 0 HD12 LEU B 158 46.730 -7.677 8.165 1.00 0.00 H new ATOM 0 HD13 LEU B 158 46.922 -8.080 6.442 1.00 0.00 H new ATOM 0 HD21 LEU B 158 49.522 -6.507 6.018 1.00 0.00 H new ATOM 0 HD22 LEU B 158 48.125 -6.488 4.915 1.00 0.00 H new ATOM 0 HD23 LEU B 158 48.769 -4.960 5.562 1.00 0.00 H new ATOM 1617 N GLY B 159 43.565 -5.952 4.202 1.00 0.00 N ATOM 1618 CA GLY B 159 42.073 -5.897 4.133 1.00 0.00 C ATOM 1619 C GLY B 159 41.639 -5.407 2.750 1.00 0.00 C ATOM 1620 O GLY B 159 42.314 -5.641 1.765 1.00 0.00 O ATOM 0 H GLY B 159 44.035 -6.051 3.302 1.00 0.00 H new ATOM 0 HA2 GLY B 159 41.654 -6.884 4.328 1.00 0.00 H new ATOM 0 HA3 GLY B 159 41.688 -5.229 4.904 1.00 0.00 H new ATOM 1624 N ALA B 160 40.514 -4.729 2.675 1.00 0.00 N ATOM 1625 CA ALA B 160 40.006 -4.210 1.362 1.00 0.00 C ATOM 1626 C ALA B 160 39.991 -5.331 0.301 1.00 0.00 C ATOM 1627 O ALA B 160 39.075 -6.130 0.259 1.00 0.00 O ATOM 1628 CB ALA B 160 40.970 -3.077 0.983 1.00 0.00 C ATOM 0 H ALA B 160 39.921 -4.512 3.476 1.00 0.00 H new ATOM 0 HA ALA B 160 38.979 -3.851 1.426 1.00 0.00 H new ATOM 0 HB1 ALA B 160 40.666 -2.644 0.030 1.00 0.00 H new ATOM 0 HB2 ALA B 160 40.949 -2.308 1.755 1.00 0.00 H new ATOM 0 HB3 ALA B 160 41.981 -3.474 0.894 1.00 0.00 H new ATOM 1634 N ARG B 161 40.993 -5.405 -0.545 1.00 0.00 N ATOM 1635 CA ARG B 161 41.023 -6.481 -1.583 1.00 0.00 C ATOM 1636 C ARG B 161 42.472 -6.776 -1.999 1.00 0.00 C ATOM 1637 O ARG B 161 42.811 -6.761 -3.167 1.00 0.00 O ATOM 1638 CB ARG B 161 40.210 -5.928 -2.759 1.00 0.00 C ATOM 1639 CG ARG B 161 39.374 -7.054 -3.376 1.00 0.00 C ATOM 1640 CD ARG B 161 40.201 -7.796 -4.433 1.00 0.00 C ATOM 1641 NE ARG B 161 40.327 -9.193 -3.921 1.00 0.00 N ATOM 1642 CZ ARG B 161 41.375 -9.551 -3.231 1.00 0.00 C ATOM 1643 NH1 ARG B 161 42.546 -9.595 -3.800 1.00 0.00 N ATOM 1644 NH2 ARG B 161 41.250 -9.865 -1.973 1.00 0.00 N ATOM 0 H ARG B 161 41.789 -4.767 -0.560 1.00 0.00 H new ATOM 0 HA ARG B 161 40.607 -7.421 -1.219 1.00 0.00 H new ATOM 0 HB2 ARG B 161 39.560 -5.122 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG B 161 40.878 -5.503 -3.509 1.00 0.00 H new ATOM 0 HG2 ARG B 161 39.053 -7.748 -2.599 1.00 0.00 H new ATOM 0 HG3 ARG B 161 38.472 -6.643 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG B 161 39.708 -7.776 -5.405 1.00 0.00 H new ATOM 0 HD3 ARG B 161 41.180 -7.334 -4.563 1.00 0.00 H new ATOM 0 HE ARG B 161 39.590 -9.871 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG B 161 42.644 -9.350 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG B 161 43.365 -9.875 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG B 161 40.333 -9.831 -1.528 1.00 0.00 H new ATOM 0 HH22 ARG B 161 42.069 -10.145 -1.433 1.00 0.00 H new ATOM 1658 N ALA B 162 43.325 -7.056 -1.049 1.00 0.00 N ATOM 1659 CA ALA B 162 44.747 -7.366 -1.385 1.00 0.00 C ATOM 1660 C ALA B 162 44.957 -8.885 -1.372 1.00 0.00 C ATOM 1661 O ALA B 162 45.334 -9.475 -2.367 1.00 0.00 O ATOM 1662 CB ALA B 162 45.575 -6.684 -0.292 1.00 0.00 C ATOM 0 H ALA B 162 43.099 -7.084 -0.055 1.00 0.00 H new ATOM 0 HA ALA B 162 45.034 -7.013 -2.375 1.00 0.00 H new ATOM 0 HB1 ALA B 162 46.635 -6.867 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA B 162 45.384 -5.611 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA B 162 45.296 -7.088 0.681 1.00 0.00 H new ATOM 1668 N LYS B 163 44.699 -9.521 -0.258 1.00 0.00 N ATOM 1669 CA LYS B 163 44.868 -11.003 -0.178 1.00 0.00 C ATOM 1670 C LYS B 163 43.810 -11.608 0.754 1.00 0.00 C ATOM 1671 O LYS B 163 43.646 -11.096 1.850 1.00 0.00 O ATOM 1672 CB LYS B 163 46.280 -11.214 0.382 1.00 0.00 C ATOM 1673 CG LYS B 163 46.646 -12.701 0.314 1.00 0.00 C ATOM 1674 CD LYS B 163 47.320 -13.007 -1.028 1.00 0.00 C ATOM 1675 CE LYS B 163 46.264 -13.074 -2.136 1.00 0.00 C ATOM 1676 NZ LYS B 163 46.752 -14.127 -3.074 1.00 0.00 N ATOM 1677 OXT LYS B 163 43.181 -12.572 0.351 1.00 0.00 O ATOM 0 H LYS B 163 44.378 -9.076 0.602 1.00 0.00 H new ATOM 0 HA LYS B 163 44.744 -11.488 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS B 163 46.999 -10.626 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS B 163 46.329 -10.864 1.413 1.00 0.00 H new ATOM 0 HG2 LYS B 163 47.315 -12.958 1.135 1.00 0.00 H new ATOM 0 HG3 LYS B 163 45.750 -13.311 0.429 1.00 0.00 H new ATOM 0 HD2 LYS B 163 48.055 -12.237 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS B 163 47.858 -13.953 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS B 163 45.284 -13.329 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS B 163 46.161 -12.113 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 46.079 -14.230 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 47.683 -13.854 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 46.834 -15.032 -2.568 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.499 -2.944 -2.154 1.00 0.00 CA HETATM 1693 OAA SXK A 91 59.304 10.750 1.361 1.00 20.00 O HETATM 1694 OAB SXK A 91 60.439 8.895 0.912 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.031 1.141 -0.485 1.00 20.00 C HETATM 1696 CAF SXK A 91 57.815 6.564 0.300 1.00 20.00 C HETATM 1697 CAG SXK A 91 56.560 6.982 -1.783 1.00 20.00 C HETATM 1698 CAH SXK A 91 57.687 5.174 0.104 1.00 20.00 C HETATM 1699 CAI SXK A 91 56.428 5.591 -1.987 1.00 20.00 C HETATM 1700 CAJ SXK A 91 56.124 2.544 -0.308 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.421 1.271 -2.494 1.00 20.00 C HETATM 1702 CAL SXK A 91 58.701 9.487 -0.595 1.00 20.00 C HETATM 1703 OAM SXK A 91 57.455 8.794 -0.338 1.00 20.00 O HETATM 1704 CAN SXK A 91 59.548 9.734 0.665 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.678 0.526 -1.572 1.00 20.00 C HETATM 1706 CAP SXK A 91 57.249 7.469 -0.644 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.521 2.672 -2.326 1.00 20.00 C HETATM 1708 CAR SXK A 91 56.994 4.686 -1.040 1.00 20.00 C HETATM 1709 CAS SXK A 91 56.873 3.301 -1.229 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.579 -0.822 -1.726 1.00 20.00 F HETATM 1711 FDD SXK A 91 58.251 3.378 -3.243 1.00 20.00 F HETATM 0 HOAB SXK A 91 60.329 8.119 0.324 1.00 20.00 H new HETATM 0 HALA SXK A 91 59.288 8.907 -1.307 1.00 20.00 H new HETATM 0 HAL SXK A 91 58.482 10.445 -1.067 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.916 0.778 -3.331 1.00 20.00 H new HETATM 0 HAJ SXK A 91 55.623 3.030 0.529 1.00 20.00 H new HETATM 0 HAI SXK A 91 55.898 5.212 -2.861 1.00 20.00 H new HETATM 0 HAH SXK A 91 58.116 4.477 0.824 1.00 20.00 H new HETATM 0 HAG SXK A 91 56.132 7.681 -2.501 1.00 20.00 H new HETATM 0 HAF SXK A 91 58.346 6.946 1.172 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.459 0.539 0.221 1.00 20.00 H new