USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HD1:sc= -0.512 K(o=-0.51,f=0.048) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -121:sc= -0.57 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0791 K(o=-0.079,f=-3.2) USER MOD Single : A 30 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.48) USER MOD Single : A 31 MET CE :methyl -106:sc= -4.66 (180deg=-8.75!) USER MOD Single : A 34 TYR OH : rot -23:sc= 0.808 USER MOD Single : A 36 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 39 CYS SG : rot 180:sc= -2.51 USER MOD Single : A 41 THR OG1 : rot -56:sc= 0.107! USER MOD Single : A 42 GLN : amide:sc= -2.04! C(o=-2!,f=-8.5!) USER MOD Single : A 44 GLN : amide:sc= -5.32! C(o=-5.3!,f=-12!) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.113 (180deg=-0.588) USER MOD Single : A 46 SER OG : rot -170:sc= -0.456 USER MOD Single : A 47 ASN : amide:sc=-5.17e-05 X(o=-5.2e-05,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 55 THR OG1 : rot 59:sc= 0.305 USER MOD Single : A 59 ASN : amide:sc= -10! C(o=-10!,f=-8.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0664 USER MOD Single : A 70 THR OG1 : rot 160:sc= -0.345 USER MOD Single : A 71 THR OG1 : rot -80:sc= 0.657 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0146) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00316 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.187! C(o=-0.19!,f=-7.4!) USER MOD Single : A 114 LYS NZ :NH3+ -150:sc= -0.0172 (180deg=-0.0172) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0574 USER MOD Single : A 119 LYS NZ :NH3+ -133:sc= -0.0178 (180deg=-0.77) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.672 19.891 -3.009 1.00 0.00 N ATOM 60 CA GLY A 7 -8.517 19.208 -2.453 1.00 0.00 C ATOM 61 C GLY A 7 -7.285 19.403 -3.339 1.00 0.00 C ATOM 62 O GLY A 7 -7.261 20.294 -4.188 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.313 19.587 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.733 18.144 -2.353 1.00 0.00 H new ATOM 66 N PRO A 8 -6.266 18.534 -3.106 1.00 0.00 N ATOM 67 CA PRO A 8 -5.034 18.602 -3.873 1.00 0.00 C ATOM 68 C PRO A 8 -5.234 18.043 -5.283 1.00 0.00 C ATOM 69 O PRO A 8 -6.357 17.727 -5.676 1.00 0.00 O ATOM 70 CB PRO A 8 -4.020 17.814 -3.060 1.00 0.00 C ATOM 71 CG PRO A 8 -4.830 16.948 -2.110 1.00 0.00 C ATOM 72 CD PRO A 8 -6.259 17.467 -2.109 1.00 0.00 C ATOM 0 HA PRO A 8 -4.691 19.625 -4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.392 17.202 -3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.356 18.482 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.803 15.905 -2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.409 16.987 -1.105 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.967 16.679 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.544 17.842 -1.126 1.00 0.00 H new ATOM 80 N HIS A 9 -4.129 17.936 -6.006 1.00 0.00 N ATOM 81 CA HIS A 9 -4.169 17.420 -7.363 1.00 0.00 C ATOM 82 C HIS A 9 -2.743 17.241 -7.887 1.00 0.00 C ATOM 83 O HIS A 9 -1.904 18.127 -7.728 1.00 0.00 O ATOM 84 CB HIS A 9 -5.022 18.318 -8.261 1.00 0.00 C ATOM 85 CG HIS A 9 -4.688 19.787 -8.156 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.609 20.739 -7.755 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.525 20.456 -8.402 1.00 0.00 C ATOM 88 CE1 HIS A 9 -5.017 21.924 -7.764 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.725 21.747 -8.166 1.00 0.00 N ATOM 0 H HIS A 9 -3.200 18.198 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.646 16.440 -7.369 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.899 18.001 -9.297 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.072 18.176 -8.007 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -2.598 20.011 -8.733 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.476 22.865 -7.500 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.028 22.485 -8.268 1.00 0.00 H new ATOM 97 N GLY A 10 -2.512 16.090 -8.501 1.00 0.00 N ATOM 98 CA GLY A 10 -1.202 15.784 -9.049 1.00 0.00 C ATOM 99 C GLY A 10 -1.006 14.273 -9.192 1.00 0.00 C ATOM 100 O GLY A 10 -1.957 13.544 -9.473 1.00 0.00 O ATOM 0 H GLY A 10 -3.210 15.358 -8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.090 16.262 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.428 16.195 -8.401 1.00 0.00 H new ATOM 104 N THR A 11 0.232 13.847 -8.991 1.00 0.00 N ATOM 105 CA THR A 11 0.564 12.436 -9.093 1.00 0.00 C ATOM 106 C THR A 11 0.995 11.889 -7.731 1.00 0.00 C ATOM 107 O THR A 11 1.563 12.616 -6.918 1.00 0.00 O ATOM 108 CB THR A 11 1.633 12.279 -10.176 1.00 0.00 C ATOM 109 OG1 THR A 11 0.949 12.589 -11.387 1.00 0.00 O ATOM 110 CG2 THR A 11 2.074 10.826 -10.359 1.00 0.00 C ATOM 0 H THR A 11 1.018 14.454 -8.758 1.00 0.00 H new ATOM 0 HA THR A 11 -0.305 11.846 -9.385 1.00 0.00 H new ATOM 0 HB THR A 11 2.498 12.891 -9.922 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.570 12.514 -12.142 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.833 10.772 -11.139 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.488 10.451 -9.423 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.215 10.219 -10.645 1.00 0.00 H new ATOM 118 N LEU A 12 0.707 10.612 -7.524 1.00 0.00 N ATOM 119 CA LEU A 12 1.058 9.959 -6.274 1.00 0.00 C ATOM 120 C LEU A 12 2.071 8.847 -6.551 1.00 0.00 C ATOM 121 O LEU A 12 2.004 8.185 -7.585 1.00 0.00 O ATOM 122 CB LEU A 12 -0.201 9.478 -5.550 1.00 0.00 C ATOM 123 CG LEU A 12 0.012 8.419 -4.466 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.302 7.051 -5.085 1.00 0.00 C ATOM 125 CD2 LEU A 12 1.107 8.849 -3.487 1.00 0.00 C ATOM 0 H LEU A 12 0.235 10.012 -8.201 1.00 0.00 H new ATOM 0 HA LEU A 12 1.538 10.665 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.687 10.341 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.892 9.077 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.912 8.324 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.449 6.317 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.539 6.748 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.203 7.112 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.238 8.079 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.043 8.989 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.820 9.786 -3.009 1.00 0.00 H new ATOM 137 N GLU A 13 2.987 8.677 -5.609 1.00 0.00 N ATOM 138 CA GLU A 13 4.013 7.656 -5.739 1.00 0.00 C ATOM 139 C GLU A 13 3.950 6.687 -4.557 1.00 0.00 C ATOM 140 O GLU A 13 4.060 7.101 -3.403 1.00 0.00 O ATOM 141 CB GLU A 13 5.402 8.287 -5.857 1.00 0.00 C ATOM 142 CG GLU A 13 6.310 7.449 -6.759 1.00 0.00 C ATOM 143 CD GLU A 13 7.738 7.406 -6.212 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.977 6.569 -5.315 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.558 8.211 -6.703 1.00 0.00 O ATOM 0 H GLU A 13 3.040 9.229 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 13 3.826 7.095 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.314 9.296 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.850 8.377 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.916 6.436 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.315 7.867 -7.766 1.00 0.00 H new ATOM 152 N VAL A 14 3.774 5.415 -4.884 1.00 0.00 N ATOM 153 CA VAL A 14 3.696 4.384 -3.863 1.00 0.00 C ATOM 154 C VAL A 14 4.927 3.481 -3.961 1.00 0.00 C ATOM 155 O VAL A 14 5.090 2.751 -4.938 1.00 0.00 O ATOM 156 CB VAL A 14 2.379 3.616 -3.996 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.267 2.530 -2.924 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.182 4.567 -3.940 1.00 0.00 C ATOM 0 H VAL A 14 3.683 5.075 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 14 3.699 4.830 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 14 2.373 3.127 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.322 1.999 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.093 1.827 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.306 2.989 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.259 3.996 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.183 5.097 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.251 5.287 -4.756 1.00 0.00 H new ATOM 168 N VAL A 15 5.762 3.560 -2.935 1.00 0.00 N ATOM 169 CA VAL A 15 6.973 2.759 -2.894 1.00 0.00 C ATOM 170 C VAL A 15 6.760 1.567 -1.958 1.00 0.00 C ATOM 171 O VAL A 15 7.067 1.644 -0.769 1.00 0.00 O ATOM 172 CB VAL A 15 8.164 3.631 -2.489 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.465 2.827 -2.511 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.268 4.867 -3.385 1.00 0.00 C ATOM 0 H VAL A 15 5.624 4.166 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 15 7.200 2.360 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 15 7.998 3.971 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.295 3.470 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.389 1.993 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.639 2.444 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.122 5.469 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.400 4.555 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.356 5.458 -3.297 1.00 0.00 H new ATOM 184 N LEU A 16 6.234 0.494 -2.529 1.00 0.00 N ATOM 185 CA LEU A 16 5.976 -0.712 -1.761 1.00 0.00 C ATOM 186 C LEU A 16 7.306 -1.365 -1.381 1.00 0.00 C ATOM 187 O LEU A 16 7.846 -2.170 -2.138 1.00 0.00 O ATOM 188 CB LEU A 16 5.031 -1.642 -2.524 1.00 0.00 C ATOM 189 CG LEU A 16 4.942 -3.080 -2.008 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.176 -3.141 -0.686 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.337 -4.006 -3.065 1.00 0.00 C ATOM 0 H LEU A 16 5.979 0.434 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 16 5.463 -0.467 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.032 -1.208 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.345 -1.670 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 16 5.953 -3.435 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.127 -4.174 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.688 -2.533 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.166 -2.759 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.285 -5.022 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.334 -3.663 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.960 -3.994 -3.959 1.00 0.00 H new ATOM 203 N VAL A 17 7.798 -0.993 -0.207 1.00 0.00 N ATOM 204 CA VAL A 17 9.055 -1.532 0.282 1.00 0.00 C ATOM 205 C VAL A 17 8.862 -3.001 0.660 1.00 0.00 C ATOM 206 O VAL A 17 8.996 -3.886 -0.184 1.00 0.00 O ATOM 207 CB VAL A 17 9.573 -0.679 1.442 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.787 -1.334 2.105 1.00 0.00 C ATOM 209 CG2 VAL A 17 9.903 0.740 0.975 1.00 0.00 C ATOM 0 H VAL A 17 7.348 -0.325 0.419 1.00 0.00 H new ATOM 0 HA VAL A 17 9.816 -1.494 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 17 8.780 -0.611 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.135 -0.707 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.506 -2.314 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.585 -1.447 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.269 1.325 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.670 0.699 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.005 1.208 0.571 1.00 0.00 H new ATOM 219 N SER A 18 8.551 -3.217 1.930 1.00 0.00 N ATOM 220 CA SER A 18 8.338 -4.564 2.430 1.00 0.00 C ATOM 221 C SER A 18 7.307 -4.547 3.560 1.00 0.00 C ATOM 222 O SER A 18 6.710 -3.509 3.844 1.00 0.00 O ATOM 223 CB SER A 18 9.649 -5.184 2.919 1.00 0.00 C ATOM 224 OG SER A 18 10.420 -4.265 3.688 1.00 0.00 O ATOM 0 H SER A 18 8.441 -2.481 2.628 1.00 0.00 H new ATOM 0 HA SER A 18 7.960 -5.176 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.431 -6.066 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.233 -5.519 2.062 1.00 0.00 H new ATOM 0 HG SER A 18 11.293 -4.134 3.263 1.00 0.00 H new ATOM 230 N ALA A 19 7.128 -5.707 4.174 1.00 0.00 N ATOM 231 CA ALA A 19 6.179 -5.838 5.266 1.00 0.00 C ATOM 232 C ALA A 19 6.720 -6.838 6.289 1.00 0.00 C ATOM 233 O ALA A 19 7.386 -7.806 5.925 1.00 0.00 O ATOM 234 CB ALA A 19 4.815 -6.253 4.710 1.00 0.00 C ATOM 0 H ALA A 19 7.625 -6.565 3.936 1.00 0.00 H new ATOM 0 HA ALA A 19 6.047 -4.884 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.103 -6.351 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.461 -5.495 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.908 -7.208 4.193 1.00 0.00 H new ATOM 240 N LYS A 20 6.414 -6.570 7.550 1.00 0.00 N ATOM 241 CA LYS A 20 6.861 -7.434 8.629 1.00 0.00 C ATOM 242 C LYS A 20 5.690 -7.713 9.573 1.00 0.00 C ATOM 243 O LYS A 20 4.853 -6.841 9.804 1.00 0.00 O ATOM 244 CB LYS A 20 8.083 -6.832 9.326 1.00 0.00 C ATOM 245 CG LYS A 20 9.232 -6.626 8.337 1.00 0.00 C ATOM 246 CD LYS A 20 9.995 -5.336 8.645 1.00 0.00 C ATOM 247 CE LYS A 20 10.320 -4.572 7.360 1.00 0.00 C ATOM 248 NZ LYS A 20 11.441 -3.632 7.584 1.00 0.00 N ATOM 0 H LYS A 20 5.862 -5.766 7.849 1.00 0.00 H new ATOM 0 HA LYS A 20 7.189 -8.396 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.814 -5.878 9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.406 -7.489 10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.913 -7.476 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.840 -6.587 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.400 -4.706 9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.918 -5.573 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.580 -5.275 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.440 -4.024 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.648 -3.122 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.180 -2.950 8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.284 -4.162 7.883 1.00 0.00 H new ATOM 262 N GLY A 21 5.667 -8.931 10.094 1.00 0.00 N ATOM 263 CA GLY A 21 4.612 -9.335 11.008 1.00 0.00 C ATOM 264 C GLY A 21 5.009 -9.059 12.459 1.00 0.00 C ATOM 265 O GLY A 21 6.034 -8.430 12.718 1.00 0.00 O ATOM 0 H GLY A 21 6.362 -9.652 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.694 -8.798 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.402 -10.397 10.880 1.00 0.00 H new ATOM 269 N LEU A 22 4.176 -9.544 13.369 1.00 0.00 N ATOM 270 CA LEU A 22 4.427 -9.358 14.788 1.00 0.00 C ATOM 271 C LEU A 22 5.642 -10.191 15.200 1.00 0.00 C ATOM 272 O LEU A 22 6.349 -10.729 14.349 1.00 0.00 O ATOM 273 CB LEU A 22 3.167 -9.664 15.600 1.00 0.00 C ATOM 274 CG LEU A 22 1.958 -8.769 15.324 1.00 0.00 C ATOM 275 CD1 LEU A 22 2.312 -7.293 15.521 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.380 -9.039 13.933 1.00 0.00 C ATOM 0 H LEU A 22 3.327 -10.065 13.151 1.00 0.00 H new ATOM 0 HA LEU A 22 4.668 -8.316 14.999 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.879 -10.698 15.411 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.414 -9.590 16.659 1.00 0.00 H new ATOM 0 HG LEU A 22 1.181 -9.014 16.048 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.435 -6.678 15.318 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.639 -7.131 16.548 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.114 -7.017 14.837 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.522 -8.389 13.763 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.141 -8.840 13.178 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.065 -10.080 13.866 1.00 0.00 H new ATOM 288 N GLU A 23 5.848 -10.272 16.506 1.00 0.00 N ATOM 289 CA GLU A 23 6.966 -11.031 17.042 1.00 0.00 C ATOM 290 C GLU A 23 6.746 -12.529 16.818 1.00 0.00 C ATOM 291 O GLU A 23 7.644 -13.229 16.353 1.00 0.00 O ATOM 292 CB GLU A 23 7.177 -10.724 18.526 1.00 0.00 C ATOM 293 CG GLU A 23 5.915 -11.033 19.334 1.00 0.00 C ATOM 294 CD GLU A 23 6.112 -10.688 20.812 1.00 0.00 C ATOM 295 OE1 GLU A 23 6.447 -9.513 21.081 1.00 0.00 O ATOM 296 OE2 GLU A 23 5.925 -11.606 21.639 1.00 0.00 O ATOM 0 H GLU A 23 5.260 -9.825 17.209 1.00 0.00 H new ATOM 0 HA GLU A 23 7.870 -10.732 16.511 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.011 -11.313 18.908 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.445 -9.675 18.650 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.075 -10.466 18.933 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.664 -12.089 19.234 1.00 0.00 H new ATOM 303 N ASP A 24 5.547 -12.976 17.160 1.00 0.00 N ATOM 304 CA ASP A 24 5.198 -14.378 17.002 1.00 0.00 C ATOM 305 C ASP A 24 3.913 -14.489 16.179 1.00 0.00 C ATOM 306 O ASP A 24 2.927 -15.065 16.636 1.00 0.00 O ATOM 307 CB ASP A 24 4.949 -15.039 18.359 1.00 0.00 C ATOM 308 CG ASP A 24 5.107 -16.561 18.375 1.00 0.00 C ATOM 309 OD1 ASP A 24 4.126 -17.238 17.998 1.00 0.00 O ATOM 310 OD2 ASP A 24 6.206 -17.013 18.764 1.00 0.00 O ATOM 0 H ASP A 24 4.805 -12.392 17.546 1.00 0.00 H new ATOM 0 HA ASP A 24 6.028 -14.879 16.504 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.637 -14.610 19.087 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.940 -14.790 18.688 1.00 0.00 H new ATOM 315 N ALA A 25 3.966 -13.929 14.979 1.00 0.00 N ATOM 316 CA ALA A 25 2.819 -13.959 14.088 1.00 0.00 C ATOM 317 C ALA A 25 3.250 -14.507 12.727 1.00 0.00 C ATOM 318 O ALA A 25 3.947 -13.829 11.973 1.00 0.00 O ATOM 319 CB ALA A 25 2.214 -12.557 13.987 1.00 0.00 C ATOM 0 H ALA A 25 4.786 -13.452 14.603 1.00 0.00 H new ATOM 0 HA ALA A 25 2.046 -14.620 14.480 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.353 -12.579 13.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.897 -12.225 14.976 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.960 -11.866 13.595 1.00 0.00 H new ATOM 325 N ASP A 26 2.818 -15.730 12.453 1.00 0.00 N ATOM 326 CA ASP A 26 3.151 -16.377 11.195 1.00 0.00 C ATOM 327 C ASP A 26 2.356 -15.722 10.064 1.00 0.00 C ATOM 328 O ASP A 26 1.354 -16.269 9.607 1.00 0.00 O ATOM 329 CB ASP A 26 2.790 -17.863 11.228 1.00 0.00 C ATOM 330 CG ASP A 26 2.653 -18.526 9.856 1.00 0.00 C ATOM 331 OD1 ASP A 26 3.357 -18.066 8.931 1.00 0.00 O ATOM 332 OD2 ASP A 26 1.847 -19.476 9.762 1.00 0.00 O ATOM 0 H ASP A 26 2.241 -16.289 13.081 1.00 0.00 H new ATOM 0 HA ASP A 26 4.224 -16.270 11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.553 -18.394 11.797 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.850 -17.981 11.767 1.00 0.00 H new ATOM 337 N PHE A 27 2.834 -14.559 9.644 1.00 0.00 N ATOM 338 CA PHE A 27 2.180 -13.824 8.574 1.00 0.00 C ATOM 339 C PHE A 27 3.128 -13.620 7.391 1.00 0.00 C ATOM 340 O PHE A 27 4.110 -12.886 7.496 1.00 0.00 O ATOM 341 CB PHE A 27 1.792 -12.458 9.143 1.00 0.00 C ATOM 342 CG PHE A 27 1.349 -11.446 8.084 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.344 -11.760 7.223 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.959 -10.234 8.005 1.00 0.00 C ATOM 345 CE1 PHE A 27 -0.068 -10.821 6.240 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.548 -9.295 7.022 1.00 0.00 C ATOM 347 CZ PHE A 27 0.543 -9.608 6.161 1.00 0.00 C ATOM 0 H PHE A 27 3.666 -14.108 10.025 1.00 0.00 H new ATOM 0 HA PHE A 27 1.312 -14.378 8.218 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.985 -12.592 9.863 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.642 -12.049 9.689 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.141 -12.723 7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.756 -9.985 8.690 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.866 -11.070 5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.034 -8.332 6.958 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.230 -8.893 5.414 1.00 0.00 H new ATOM 357 N LEU A 28 2.801 -14.282 6.291 1.00 0.00 N ATOM 358 CA LEU A 28 3.611 -14.182 5.088 1.00 0.00 C ATOM 359 C LEU A 28 4.849 -15.069 5.237 1.00 0.00 C ATOM 360 O LEU A 28 5.976 -14.591 5.120 1.00 0.00 O ATOM 361 CB LEU A 28 3.936 -12.719 4.781 1.00 0.00 C ATOM 362 CG LEU A 28 2.788 -11.724 4.964 1.00 0.00 C ATOM 363 CD1 LEU A 28 3.316 -10.293 5.082 1.00 0.00 C ATOM 364 CD2 LEU A 28 1.757 -11.864 3.842 1.00 0.00 C ATOM 0 H LEU A 28 1.986 -14.890 6.207 1.00 0.00 H new ATOM 0 HA LEU A 28 3.057 -14.549 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.764 -12.410 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.286 -12.654 3.751 1.00 0.00 H new ATOM 0 HG LEU A 28 2.280 -11.958 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.480 -9.606 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.981 -10.220 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.864 -10.031 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.952 -11.146 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.236 -11.672 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.348 -12.874 3.848 1.00 0.00 H new ATOM 376 N ASN A 29 4.597 -16.344 5.494 1.00 0.00 N ATOM 377 CA ASN A 29 5.677 -17.301 5.660 1.00 0.00 C ATOM 378 C ASN A 29 5.307 -18.608 4.955 1.00 0.00 C ATOM 379 O ASN A 29 4.182 -19.089 5.081 1.00 0.00 O ATOM 380 CB ASN A 29 5.914 -17.613 7.139 1.00 0.00 C ATOM 381 CG ASN A 29 7.259 -18.312 7.344 1.00 0.00 C ATOM 382 OD1 ASN A 29 8.040 -18.493 6.424 1.00 0.00 O ATOM 383 ND2 ASN A 29 7.485 -18.695 8.598 1.00 0.00 N ATOM 0 H ASN A 29 3.661 -16.736 5.591 1.00 0.00 H new ATOM 0 HA ASN A 29 6.581 -16.866 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.888 -16.690 7.718 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.110 -18.247 7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.355 -19.171 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.789 -18.512 9.320 1.00 0.00 H new ATOM 390 N ASN A 30 6.276 -19.145 4.229 1.00 0.00 N ATOM 391 CA ASN A 30 6.067 -20.387 3.503 1.00 0.00 C ATOM 392 C ASN A 30 5.123 -20.132 2.327 1.00 0.00 C ATOM 393 O ASN A 30 4.428 -21.042 1.876 1.00 0.00 O ATOM 394 CB ASN A 30 5.428 -21.448 4.401 1.00 0.00 C ATOM 395 CG ASN A 30 6.095 -21.475 5.778 1.00 0.00 C ATOM 396 OD1 ASN A 30 7.306 -21.420 5.912 1.00 0.00 O ATOM 397 ND2 ASN A 30 5.238 -21.562 6.792 1.00 0.00 N ATOM 0 H ASN A 30 7.208 -18.743 4.128 1.00 0.00 H new ATOM 0 HA ASN A 30 7.037 -20.744 3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.363 -21.242 4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.515 -22.428 3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.584 -21.586 7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.235 -21.604 6.610 1.00 0.00 H new ATOM 404 N MET A 31 5.128 -18.891 1.863 1.00 0.00 N ATOM 405 CA MET A 31 4.280 -18.505 0.748 1.00 0.00 C ATOM 406 C MET A 31 4.900 -17.347 -0.037 1.00 0.00 C ATOM 407 O MET A 31 6.018 -16.925 0.253 1.00 0.00 O ATOM 408 CB MET A 31 2.904 -18.088 1.272 1.00 0.00 C ATOM 409 CG MET A 31 3.026 -17.360 2.613 1.00 0.00 C ATOM 410 SD MET A 31 1.408 -17.124 3.328 1.00 0.00 S ATOM 411 CE MET A 31 0.954 -15.577 2.564 1.00 0.00 C ATOM 0 H MET A 31 5.706 -18.140 2.239 1.00 0.00 H new ATOM 0 HA MET A 31 4.180 -19.360 0.080 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.415 -17.439 0.545 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.273 -18.969 1.388 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.653 -17.936 3.293 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.514 -16.396 2.470 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.019 -14.775 3.300 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.632 -15.367 1.737 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.067 -15.643 2.188 1.00 0.00 H new ATOM 421 N ASP A 32 4.146 -16.867 -1.015 1.00 0.00 N ATOM 422 CA ASP A 32 4.608 -15.767 -1.844 1.00 0.00 C ATOM 423 C ASP A 32 3.476 -14.751 -2.012 1.00 0.00 C ATOM 424 O ASP A 32 2.880 -14.652 -3.084 1.00 0.00 O ATOM 425 CB ASP A 32 5.014 -16.257 -3.235 1.00 0.00 C ATOM 426 CG ASP A 32 5.970 -17.452 -3.246 1.00 0.00 C ATOM 427 OD1 ASP A 32 6.693 -17.609 -2.239 1.00 0.00 O ATOM 428 OD2 ASP A 32 5.956 -18.181 -4.261 1.00 0.00 O ATOM 0 H ASP A 32 3.219 -17.220 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 32 5.472 -15.316 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.113 -16.527 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.481 -15.432 -3.772 1.00 0.00 H new ATOM 433 N PRO A 33 3.206 -14.003 -0.909 1.00 0.00 N ATOM 434 CA PRO A 33 2.155 -12.999 -0.925 1.00 0.00 C ATOM 435 C PRO A 33 2.596 -11.757 -1.702 1.00 0.00 C ATOM 436 O PRO A 33 3.790 -11.494 -1.834 1.00 0.00 O ATOM 437 CB PRO A 33 1.864 -12.712 0.539 1.00 0.00 C ATOM 438 CG PRO A 33 3.073 -13.216 1.311 1.00 0.00 C ATOM 439 CD PRO A 33 3.890 -14.093 0.377 1.00 0.00 C ATOM 0 HA PRO A 33 1.255 -13.339 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.711 -11.646 0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.955 -13.218 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.672 -12.379 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.757 -13.782 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.919 -13.742 0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.929 -15.122 0.734 1.00 0.00 H new ATOM 447 N TYR A 34 1.608 -11.026 -2.196 1.00 0.00 N ATOM 448 CA TYR A 34 1.878 -9.818 -2.956 1.00 0.00 C ATOM 449 C TYR A 34 0.934 -8.687 -2.543 1.00 0.00 C ATOM 450 O TYR A 34 -0.225 -8.931 -2.210 1.00 0.00 O ATOM 451 CB TYR A 34 1.617 -10.174 -4.421 1.00 0.00 C ATOM 452 CG TYR A 34 0.260 -10.836 -4.668 1.00 0.00 C ATOM 453 CD1 TYR A 34 0.130 -12.205 -4.553 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.833 -10.064 -5.006 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.148 -12.828 -4.786 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.110 -10.688 -5.239 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.204 -12.039 -5.118 1.00 0.00 C ATOM 458 OH TYR A 34 -3.410 -12.628 -5.337 1.00 0.00 O ATOM 0 H TYR A 34 0.619 -11.247 -2.085 1.00 0.00 H new ATOM 0 HA TYR A 34 2.899 -9.477 -2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.682 -9.267 -5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.405 -10.843 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.985 -12.809 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.731 -8.993 -5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.264 -13.898 -4.699 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.974 -10.096 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.276 -13.568 -5.578 1.00 0.00 H new ATOM 468 N VAL A 35 1.465 -7.473 -2.578 1.00 0.00 N ATOM 469 CA VAL A 35 0.684 -6.304 -2.211 1.00 0.00 C ATOM 470 C VAL A 35 0.011 -5.733 -3.461 1.00 0.00 C ATOM 471 O VAL A 35 0.599 -5.731 -4.541 1.00 0.00 O ATOM 472 CB VAL A 35 1.572 -5.286 -1.493 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.746 -4.106 -0.976 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.355 -5.947 -0.357 1.00 0.00 C ATOM 0 H VAL A 35 2.426 -7.274 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.106 -6.577 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 35 2.291 -4.900 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.401 -3.397 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.254 -3.611 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.007 -4.468 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.978 -5.202 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.659 -6.374 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.987 -6.737 -0.762 1.00 0.00 H new ATOM 484 N GLN A 36 -1.214 -5.264 -3.272 1.00 0.00 N ATOM 485 CA GLN A 36 -1.974 -4.692 -4.370 1.00 0.00 C ATOM 486 C GLN A 36 -2.478 -3.297 -3.997 1.00 0.00 C ATOM 487 O GLN A 36 -3.401 -3.161 -3.195 1.00 0.00 O ATOM 488 CB GLN A 36 -3.134 -5.606 -4.769 1.00 0.00 C ATOM 489 CG GLN A 36 -3.985 -4.965 -5.867 1.00 0.00 C ATOM 490 CD GLN A 36 -5.452 -4.876 -5.441 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.790 -4.930 -4.270 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.302 -4.736 -6.455 1.00 0.00 N ATOM 0 H GLN A 36 -1.699 -5.269 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.315 -4.600 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.745 -6.562 -5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.755 -5.813 -3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.606 -3.968 -6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.903 -5.550 -6.783 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.952 -4.698 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.304 -4.667 -6.275 1.00 0.00 H new ATOM 501 N LEU A 37 -1.851 -2.295 -4.597 1.00 0.00 N ATOM 502 CA LEU A 37 -2.225 -0.916 -4.337 1.00 0.00 C ATOM 503 C LEU A 37 -3.458 -0.560 -5.171 1.00 0.00 C ATOM 504 O LEU A 37 -3.603 -1.026 -6.300 1.00 0.00 O ATOM 505 CB LEU A 37 -1.034 0.016 -4.572 1.00 0.00 C ATOM 506 CG LEU A 37 0.187 -0.218 -3.680 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.174 -1.089 -2.475 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.349 -0.804 -4.484 1.00 0.00 C ATOM 0 H LEU A 37 -1.087 -2.412 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.500 -0.787 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.723 -0.080 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.369 1.044 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 37 0.518 0.746 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.711 -1.240 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.947 -0.594 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.544 -2.054 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.204 -0.961 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.047 -1.757 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.626 -0.113 -5.280 1.00 0.00 H new ATOM 520 N THR A 38 -4.314 0.262 -4.582 1.00 0.00 N ATOM 521 CA THR A 38 -5.530 0.685 -5.256 1.00 0.00 C ATOM 522 C THR A 38 -5.722 2.196 -5.110 1.00 0.00 C ATOM 523 O THR A 38 -5.446 2.761 -4.053 1.00 0.00 O ATOM 524 CB THR A 38 -6.693 -0.133 -4.692 1.00 0.00 C ATOM 525 OG1 THR A 38 -6.089 -1.357 -4.281 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.691 -0.555 -5.772 1.00 0.00 C ATOM 0 H THR A 38 -4.190 0.646 -3.645 1.00 0.00 H new ATOM 0 HA THR A 38 -5.473 0.498 -6.328 1.00 0.00 H new ATOM 0 HB THR A 38 -7.209 0.449 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.772 -1.948 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.496 -1.133 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.106 0.332 -6.250 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.183 -1.166 -6.518 1.00 0.00 H new ATOM 534 N CYS A 39 -6.195 2.806 -6.187 1.00 0.00 N ATOM 535 CA CYS A 39 -6.427 4.241 -6.192 1.00 0.00 C ATOM 536 C CYS A 39 -7.699 4.518 -6.996 1.00 0.00 C ATOM 537 O CYS A 39 -7.635 4.774 -8.197 1.00 0.00 O ATOM 538 CB CYS A 39 -5.224 5.007 -6.746 1.00 0.00 C ATOM 539 SG CYS A 39 -4.815 6.409 -5.643 1.00 0.00 S ATOM 0 H CYS A 39 -6.424 2.333 -7.062 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.559 4.594 -5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.366 4.340 -6.834 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.446 5.374 -7.748 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.791 7.052 -6.120 1.00 0.00 H new ATOM 545 N ARG A 40 -8.826 4.457 -6.301 1.00 0.00 N ATOM 546 CA ARG A 40 -10.110 4.698 -6.935 1.00 0.00 C ATOM 547 C ARG A 40 -10.078 4.235 -8.393 1.00 0.00 C ATOM 548 O ARG A 40 -9.602 4.957 -9.267 1.00 0.00 O ATOM 549 CB ARG A 40 -10.478 6.183 -6.887 1.00 0.00 C ATOM 550 CG ARG A 40 -11.388 6.484 -5.695 1.00 0.00 C ATOM 551 CD ARG A 40 -10.716 6.087 -4.378 1.00 0.00 C ATOM 552 NE ARG A 40 -11.346 4.862 -3.838 1.00 0.00 N ATOM 553 CZ ARG A 40 -12.585 4.816 -3.329 1.00 0.00 C ATOM 554 NH1 ARG A 40 -13.334 5.927 -3.288 1.00 0.00 N ATOM 555 NH2 ARG A 40 -13.075 3.660 -2.861 1.00 0.00 N ATOM 0 H ARG A 40 -8.876 4.244 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.862 4.131 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.571 6.784 -6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.979 6.467 -7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.631 7.546 -5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.328 5.944 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.652 5.917 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.803 6.899 -3.656 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.803 3.998 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.961 6.807 -3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.277 5.892 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.505 2.815 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.018 3.625 -2.474 1.00 0.00 H new ATOM 569 N THR A 41 -10.592 3.033 -8.609 1.00 0.00 N ATOM 570 CA THR A 41 -10.628 2.464 -9.946 1.00 0.00 C ATOM 571 C THR A 41 -9.235 1.989 -10.361 1.00 0.00 C ATOM 572 O THR A 41 -9.101 1.131 -11.233 1.00 0.00 O ATOM 573 CB THR A 41 -11.219 3.513 -10.890 1.00 0.00 C ATOM 574 OG1 THR A 41 -10.093 4.287 -11.296 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.118 4.516 -10.163 1.00 0.00 C ATOM 0 H THR A 41 -10.987 2.438 -7.881 1.00 0.00 H new ATOM 0 HA THR A 41 -11.263 1.579 -9.982 1.00 0.00 H new ATOM 0 HB THR A 41 -11.791 3.015 -11.673 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.639 4.644 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.511 5.238 -10.879 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.945 3.987 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.539 5.039 -9.402 1.00 0.00 H new ATOM 583 N GLN A 42 -8.231 2.567 -9.718 1.00 0.00 N ATOM 584 CA GLN A 42 -6.852 2.213 -10.010 1.00 0.00 C ATOM 585 C GLN A 42 -6.390 1.078 -9.094 1.00 0.00 C ATOM 586 O GLN A 42 -6.707 1.067 -7.905 1.00 0.00 O ATOM 587 CB GLN A 42 -5.934 3.430 -9.880 1.00 0.00 C ATOM 588 CG GLN A 42 -6.452 4.599 -10.720 1.00 0.00 C ATOM 589 CD GLN A 42 -5.869 5.927 -10.231 1.00 0.00 C ATOM 590 OE1 GLN A 42 -4.724 6.263 -10.484 1.00 0.00 O ATOM 591 NE2 GLN A 42 -6.719 6.660 -9.517 1.00 0.00 N ATOM 0 H GLN A 42 -8.345 3.278 -8.996 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.797 1.866 -11.042 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.868 3.730 -8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.926 3.166 -10.200 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.187 4.445 -11.766 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.540 4.635 -10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.664 6.319 -9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.425 7.563 -9.144 1.00 0.00 H new ATOM 600 N ASP A 43 -5.649 0.150 -9.681 1.00 0.00 N ATOM 601 CA ASP A 43 -5.140 -0.986 -8.933 1.00 0.00 C ATOM 602 C ASP A 43 -3.779 -1.396 -9.499 1.00 0.00 C ATOM 603 O ASP A 43 -3.637 -1.591 -10.705 1.00 0.00 O ATOM 604 CB ASP A 43 -6.081 -2.187 -9.049 1.00 0.00 C ATOM 605 CG ASP A 43 -7.340 -1.945 -9.885 1.00 0.00 C ATOM 606 OD1 ASP A 43 -7.245 -2.126 -11.118 1.00 0.00 O ATOM 607 OD2 ASP A 43 -8.367 -1.584 -9.271 1.00 0.00 O ATOM 0 H ASP A 43 -5.389 0.162 -10.667 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.057 -0.691 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.529 -3.021 -9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.382 -2.492 -8.047 1.00 0.00 H new ATOM 612 N GLN A 44 -2.812 -1.515 -8.601 1.00 0.00 N ATOM 613 CA GLN A 44 -1.467 -1.898 -8.995 1.00 0.00 C ATOM 614 C GLN A 44 -0.872 -2.871 -7.975 1.00 0.00 C ATOM 615 O GLN A 44 -0.742 -2.540 -6.798 1.00 0.00 O ATOM 616 CB GLN A 44 -0.574 -0.667 -9.164 1.00 0.00 C ATOM 617 CG GLN A 44 -0.997 0.153 -10.385 1.00 0.00 C ATOM 618 CD GLN A 44 -0.631 1.628 -10.207 1.00 0.00 C ATOM 619 OE1 GLN A 44 -0.333 2.094 -9.120 1.00 0.00 O ATOM 620 NE2 GLN A 44 -0.671 2.335 -11.333 1.00 0.00 N ATOM 0 H GLN A 44 -2.933 -1.353 -7.601 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.522 -2.402 -9.960 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.629 -0.048 -8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.465 -0.979 -9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.512 -0.241 -11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.072 0.057 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.929 1.883 -12.210 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.444 3.329 -11.319 1.00 0.00 H new ATOM 629 N LYS A 45 -0.527 -4.053 -8.465 1.00 0.00 N ATOM 630 CA LYS A 45 0.051 -5.077 -7.611 1.00 0.00 C ATOM 631 C LYS A 45 1.443 -5.443 -8.131 1.00 0.00 C ATOM 632 O LYS A 45 1.742 -5.241 -9.307 1.00 0.00 O ATOM 633 CB LYS A 45 -0.895 -6.273 -7.493 1.00 0.00 C ATOM 634 CG LYS A 45 -0.115 -7.568 -7.255 1.00 0.00 C ATOM 635 CD LYS A 45 -1.009 -8.792 -7.461 1.00 0.00 C ATOM 636 CE LYS A 45 -1.544 -8.846 -8.894 1.00 0.00 C ATOM 637 NZ LYS A 45 -0.445 -8.647 -9.865 1.00 0.00 N ATOM 0 H LYS A 45 -0.637 -4.324 -9.442 1.00 0.00 H new ATOM 0 HA LYS A 45 0.178 -4.699 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.594 -6.109 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.488 -6.363 -8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.735 -7.615 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.287 -7.573 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.445 -9.699 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.842 -8.760 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.026 -9.807 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.304 -8.078 -9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.739 -8.997 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.219 -7.634 -9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.396 -9.170 -9.549 1.00 0.00 H new ATOM 651 N SER A 46 2.256 -5.974 -7.230 1.00 0.00 N ATOM 652 CA SER A 46 3.608 -6.369 -7.584 1.00 0.00 C ATOM 653 C SER A 46 3.732 -7.894 -7.554 1.00 0.00 C ATOM 654 O SER A 46 2.858 -8.581 -7.029 1.00 0.00 O ATOM 655 CB SER A 46 4.632 -5.735 -6.640 1.00 0.00 C ATOM 656 OG SER A 46 5.906 -5.581 -7.259 1.00 0.00 O ATOM 0 H SER A 46 2.004 -6.140 -6.256 1.00 0.00 H new ATOM 0 HA SER A 46 3.815 -6.013 -8.593 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.268 -4.761 -6.312 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.735 -6.354 -5.748 1.00 0.00 H new ATOM 0 HG SER A 46 6.568 -5.323 -6.584 1.00 0.00 H new ATOM 662 N ASN A 47 4.826 -8.378 -8.125 1.00 0.00 N ATOM 663 CA ASN A 47 5.075 -9.809 -8.171 1.00 0.00 C ATOM 664 C ASN A 47 4.884 -10.400 -6.773 1.00 0.00 C ATOM 665 O ASN A 47 4.601 -9.674 -5.821 1.00 0.00 O ATOM 666 CB ASN A 47 6.508 -10.104 -8.617 1.00 0.00 C ATOM 667 CG ASN A 47 6.594 -10.228 -10.139 1.00 0.00 C ATOM 668 OD1 ASN A 47 7.074 -9.347 -10.834 1.00 0.00 O ATOM 669 ND2 ASN A 47 6.103 -11.367 -10.618 1.00 0.00 N ATOM 0 H ASN A 47 5.549 -7.805 -8.559 1.00 0.00 H new ATOM 0 HA ASN A 47 4.378 -10.250 -8.883 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.170 -9.308 -8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.854 -11.028 -8.153 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.114 -11.545 -11.622 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.715 -12.063 -9.981 1.00 0.00 H new ATOM 676 N VAL A 48 5.045 -11.713 -6.693 1.00 0.00 N ATOM 677 CA VAL A 48 4.894 -12.411 -5.428 1.00 0.00 C ATOM 678 C VAL A 48 6.248 -12.468 -4.717 1.00 0.00 C ATOM 679 O VAL A 48 7.279 -12.677 -5.354 1.00 0.00 O ATOM 680 CB VAL A 48 4.282 -13.793 -5.662 1.00 0.00 C ATOM 681 CG1 VAL A 48 3.155 -13.726 -6.694 1.00 0.00 C ATOM 682 CG2 VAL A 48 5.353 -14.802 -6.083 1.00 0.00 C ATOM 0 H VAL A 48 5.279 -12.312 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 48 4.207 -11.873 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 48 3.853 -14.134 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.737 -14.722 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.374 -13.054 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.549 -13.354 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.892 -15.777 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.825 -14.468 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.106 -14.881 -5.299 1.00 0.00 H new ATOM 692 N ALA A 49 6.201 -12.280 -3.406 1.00 0.00 N ATOM 693 CA ALA A 49 7.411 -12.308 -2.603 1.00 0.00 C ATOM 694 C ALA A 49 7.877 -13.756 -2.441 1.00 0.00 C ATOM 695 O ALA A 49 7.442 -14.454 -1.526 1.00 0.00 O ATOM 696 CB ALA A 49 7.147 -11.627 -1.258 1.00 0.00 C ATOM 0 H ALA A 49 5.344 -12.108 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 49 8.212 -11.757 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.055 -11.648 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.847 -10.593 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.351 -12.155 -0.733 1.00 0.00 H new ATOM 702 N GLU A 50 8.756 -14.166 -3.344 1.00 0.00 N ATOM 703 CA GLU A 50 9.286 -15.518 -3.313 1.00 0.00 C ATOM 704 C GLU A 50 10.568 -15.567 -2.479 1.00 0.00 C ATOM 705 O GLU A 50 11.383 -14.648 -2.533 1.00 0.00 O ATOM 706 CB GLU A 50 9.533 -16.043 -4.729 1.00 0.00 C ATOM 707 CG GLU A 50 8.371 -16.919 -5.200 1.00 0.00 C ATOM 708 CD GLU A 50 8.498 -18.341 -4.649 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.044 -18.470 -3.532 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.046 -19.266 -5.357 1.00 0.00 O ATOM 0 H GLU A 50 9.114 -13.585 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 50 8.546 -16.166 -2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.662 -15.205 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.459 -16.618 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.427 -16.482 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.351 -16.948 -6.289 1.00 0.00 H new ATOM 717 N GLY A 51 10.705 -16.649 -1.726 1.00 0.00 N ATOM 718 CA GLY A 51 11.873 -16.830 -0.881 1.00 0.00 C ATOM 719 C GLY A 51 12.252 -15.523 -0.183 1.00 0.00 C ATOM 720 O GLY A 51 13.373 -15.038 -0.331 1.00 0.00 O ATOM 0 H GLY A 51 10.026 -17.409 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.671 -17.599 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.711 -17.181 -1.483 1.00 0.00 H new ATOM 724 N MET A 52 11.297 -14.990 0.565 1.00 0.00 N ATOM 725 CA MET A 52 11.516 -13.748 1.287 1.00 0.00 C ATOM 726 C MET A 52 11.430 -13.970 2.798 1.00 0.00 C ATOM 727 O MET A 52 12.123 -13.305 3.567 1.00 0.00 O ATOM 728 CB MET A 52 10.468 -12.718 0.861 1.00 0.00 C ATOM 729 CG MET A 52 10.679 -12.289 -0.592 1.00 0.00 C ATOM 730 SD MET A 52 12.322 -11.625 -0.800 1.00 0.00 S ATOM 731 CE MET A 52 12.057 -10.584 -2.226 1.00 0.00 C ATOM 0 H MET A 52 10.369 -15.396 0.687 1.00 0.00 H new ATOM 0 HA MET A 52 12.515 -13.382 1.049 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.470 -13.140 0.978 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.524 -11.846 1.513 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.536 -13.141 -1.256 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.937 -11.540 -0.870 1.00 0.00 H new ATOM 0 HE1 MET A 52 12.991 -10.089 -2.494 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.716 -11.193 -3.063 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.302 -9.833 -1.993 1.00 0.00 H new ATOM 741 N GLY A 53 10.575 -14.907 3.178 1.00 0.00 N ATOM 742 CA GLY A 53 10.389 -15.226 4.584 1.00 0.00 C ATOM 743 C GLY A 53 9.181 -14.484 5.159 1.00 0.00 C ATOM 744 O GLY A 53 8.212 -14.223 4.448 1.00 0.00 O ATOM 0 H GLY A 53 10.003 -15.456 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.250 -16.301 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.285 -14.958 5.143 1.00 0.00 H new ATOM 748 N THR A 54 9.277 -14.166 6.442 1.00 0.00 N ATOM 749 CA THR A 54 8.204 -13.460 7.120 1.00 0.00 C ATOM 750 C THR A 54 8.290 -11.959 6.836 1.00 0.00 C ATOM 751 O THR A 54 7.547 -11.170 7.418 1.00 0.00 O ATOM 752 CB THR A 54 8.282 -13.801 8.610 1.00 0.00 C ATOM 753 OG1 THR A 54 9.679 -13.883 8.875 1.00 0.00 O ATOM 754 CG2 THR A 54 7.761 -15.206 8.916 1.00 0.00 C ATOM 0 H THR A 54 10.082 -14.385 7.029 1.00 0.00 H new ATOM 0 HA THR A 54 7.228 -13.774 6.750 1.00 0.00 H new ATOM 0 HB THR A 54 7.710 -13.069 9.180 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.821 -14.099 9.820 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.838 -15.398 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.718 -15.282 8.608 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.355 -15.941 8.372 1.00 0.00 H new ATOM 762 N THR A 55 9.202 -11.610 5.941 1.00 0.00 N ATOM 763 CA THR A 55 9.394 -10.217 5.572 1.00 0.00 C ATOM 764 C THR A 55 9.535 -10.082 4.054 1.00 0.00 C ATOM 765 O THR A 55 10.646 -9.976 3.537 1.00 0.00 O ATOM 766 CB THR A 55 10.604 -9.686 6.344 1.00 0.00 C ATOM 767 OG1 THR A 55 11.625 -10.649 6.094 1.00 0.00 O ATOM 768 CG2 THR A 55 10.402 -9.742 7.859 1.00 0.00 C ATOM 0 H THR A 55 9.816 -12.267 5.460 1.00 0.00 H new ATOM 0 HA THR A 55 8.527 -9.613 5.842 1.00 0.00 H new ATOM 0 HB THR A 55 10.804 -8.658 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.787 -10.711 5.129 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.289 -9.354 8.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.537 -9.138 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.235 -10.774 8.166 1.00 0.00 H new ATOM 776 N PRO A 56 8.362 -10.091 3.365 1.00 0.00 N ATOM 777 CA PRO A 56 8.344 -9.971 1.917 1.00 0.00 C ATOM 778 C PRO A 56 8.628 -8.532 1.483 1.00 0.00 C ATOM 779 O PRO A 56 8.081 -7.588 2.052 1.00 0.00 O ATOM 780 CB PRO A 56 6.965 -10.456 1.500 1.00 0.00 C ATOM 781 CG PRO A 56 6.104 -10.390 2.750 1.00 0.00 C ATOM 782 CD PRO A 56 7.028 -10.216 3.944 1.00 0.00 C ATOM 0 HA PRO A 56 9.123 -10.563 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.553 -9.829 0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.010 -11.473 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.402 -9.559 2.686 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.512 -11.300 2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.764 -9.332 4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.968 -11.070 4.619 1.00 0.00 H new ATOM 790 N GLU A 57 9.484 -8.409 0.479 1.00 0.00 N ATOM 791 CA GLU A 57 9.848 -7.100 -0.038 1.00 0.00 C ATOM 792 C GLU A 57 9.429 -6.974 -1.504 1.00 0.00 C ATOM 793 O GLU A 57 8.983 -7.946 -2.112 1.00 0.00 O ATOM 794 CB GLU A 57 11.346 -6.842 0.129 1.00 0.00 C ATOM 795 CG GLU A 57 11.662 -5.350 0.009 1.00 0.00 C ATOM 796 CD GLU A 57 12.946 -4.998 0.764 1.00 0.00 C ATOM 797 OE1 GLU A 57 13.997 -5.562 0.390 1.00 0.00 O ATOM 798 OE2 GLU A 57 12.847 -4.174 1.699 1.00 0.00 O ATOM 0 H GLU A 57 9.936 -9.194 0.010 1.00 0.00 H new ATOM 0 HA GLU A 57 9.317 -6.342 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.676 -7.210 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.901 -7.397 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.769 -5.081 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.831 -4.766 0.405 1.00 0.00 H new ATOM 805 N TRP A 58 9.588 -5.768 -2.030 1.00 0.00 N ATOM 806 CA TRP A 58 9.232 -5.503 -3.414 1.00 0.00 C ATOM 807 C TRP A 58 10.038 -4.289 -3.884 1.00 0.00 C ATOM 808 O TRP A 58 10.499 -4.251 -5.023 1.00 0.00 O ATOM 809 CB TRP A 58 7.722 -5.312 -3.565 1.00 0.00 C ATOM 810 CG TRP A 58 6.894 -6.516 -3.108 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.512 -7.576 -3.833 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.360 -6.740 -1.786 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.773 -8.464 -3.078 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.678 -7.940 -1.794 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.451 -5.956 -0.623 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.033 -8.462 -0.666 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.801 -6.492 0.495 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.110 -7.698 0.504 1.00 0.00 C ATOM 0 H TRP A 58 9.958 -4.964 -1.523 1.00 0.00 H new ATOM 0 HA TRP A 58 9.482 -6.355 -4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.418 -4.436 -2.992 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.495 -5.104 -4.611 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.752 -7.718 -4.876 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.370 -9.343 -3.403 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.980 -5.015 -0.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.505 -9.403 -0.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.839 -5.929 1.416 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.635 -8.044 1.410 1.00 0.00 H new ATOM 829 N ASN A 59 10.181 -3.329 -2.983 1.00 0.00 N ATOM 830 CA ASN A 59 10.922 -2.118 -3.291 1.00 0.00 C ATOM 831 C ASN A 59 10.465 -1.577 -4.647 1.00 0.00 C ATOM 832 O ASN A 59 11.258 -1.000 -5.389 1.00 0.00 O ATOM 833 CB ASN A 59 12.424 -2.398 -3.376 1.00 0.00 C ATOM 834 CG ASN A 59 12.740 -3.831 -2.942 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.413 -4.796 -3.613 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.393 -3.914 -1.787 1.00 0.00 N ATOM 0 H ASN A 59 9.796 -3.365 -2.039 1.00 0.00 H new ATOM 0 HA ASN A 59 10.734 -1.396 -2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.770 -2.239 -4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.965 -1.695 -2.743 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.651 -4.827 -1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.636 -3.065 -1.276 1.00 0.00 H new ATOM 843 N GLU A 60 9.187 -1.782 -4.930 1.00 0.00 N ATOM 844 CA GLU A 60 8.614 -1.322 -6.183 1.00 0.00 C ATOM 845 C GLU A 60 8.056 0.094 -6.024 1.00 0.00 C ATOM 846 O GLU A 60 7.899 0.580 -4.906 1.00 0.00 O ATOM 847 CB GLU A 60 7.533 -2.285 -6.679 1.00 0.00 C ATOM 848 CG GLU A 60 8.101 -3.262 -7.710 1.00 0.00 C ATOM 849 CD GLU A 60 8.777 -2.514 -8.861 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.031 -2.031 -9.740 1.00 0.00 O ATOM 851 OE2 GLU A 60 10.024 -2.442 -8.836 1.00 0.00 O ATOM 0 H GLU A 60 8.532 -2.261 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 60 9.404 -1.298 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.120 -2.839 -5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.713 -1.720 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.821 -3.925 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.300 -3.890 -8.100 1.00 0.00 H new ATOM 858 N THR A 61 7.773 0.715 -7.160 1.00 0.00 N ATOM 859 CA THR A 61 7.236 2.065 -7.160 1.00 0.00 C ATOM 860 C THR A 61 6.070 2.175 -8.145 1.00 0.00 C ATOM 861 O THR A 61 6.229 1.902 -9.334 1.00 0.00 O ATOM 862 CB THR A 61 8.383 3.030 -7.467 1.00 0.00 C ATOM 863 OG1 THR A 61 9.014 3.232 -6.205 1.00 0.00 O ATOM 864 CG2 THR A 61 7.887 4.423 -7.862 1.00 0.00 C ATOM 0 H THR A 61 7.905 0.308 -8.086 1.00 0.00 H new ATOM 0 HA THR A 61 6.824 2.327 -6.186 1.00 0.00 H new ATOM 0 HB THR A 61 8.995 2.621 -8.271 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.771 3.845 -6.312 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.741 5.068 -8.069 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.264 4.348 -8.753 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.302 4.846 -7.045 1.00 0.00 H new ATOM 872 N PHE A 62 4.924 2.575 -7.613 1.00 0.00 N ATOM 873 CA PHE A 62 3.732 2.724 -8.430 1.00 0.00 C ATOM 874 C PHE A 62 3.269 4.182 -8.464 1.00 0.00 C ATOM 875 O PHE A 62 3.436 4.912 -7.488 1.00 0.00 O ATOM 876 CB PHE A 62 2.639 1.869 -7.787 1.00 0.00 C ATOM 877 CG PHE A 62 2.958 0.373 -7.752 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.763 -0.389 -8.861 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.436 -0.194 -6.613 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.059 -1.778 -8.829 1.00 0.00 C ATOM 881 CE2 PHE A 62 3.733 -1.582 -6.581 1.00 0.00 C ATOM 882 CZ PHE A 62 3.538 -2.345 -7.690 1.00 0.00 C ATOM 0 H PHE A 62 4.796 2.800 -6.626 1.00 0.00 H new ATOM 0 HA PHE A 62 3.942 2.414 -9.454 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.471 2.218 -6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.707 2.019 -8.332 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.383 0.062 -9.766 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.590 0.411 -5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.904 -2.384 -9.710 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.114 -2.032 -5.676 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.764 -3.401 -7.666 1.00 0.00 H new ATOM 892 N ILE A 63 2.697 4.562 -9.597 1.00 0.00 N ATOM 893 CA ILE A 63 2.209 5.920 -9.770 1.00 0.00 C ATOM 894 C ILE A 63 0.698 5.887 -10.008 1.00 0.00 C ATOM 895 O ILE A 63 0.191 4.992 -10.683 1.00 0.00 O ATOM 896 CB ILE A 63 2.990 6.633 -10.875 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.477 6.275 -10.815 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.762 8.145 -10.820 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.132 6.864 -9.564 1.00 0.00 C ATOM 0 H ILE A 63 2.560 3.954 -10.404 1.00 0.00 H new ATOM 0 HA ILE A 63 2.377 6.504 -8.865 1.00 0.00 H new ATOM 0 HB ILE A 63 2.614 6.285 -11.837 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.594 5.191 -10.815 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.981 6.651 -11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.329 8.628 -11.616 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.701 8.358 -10.949 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.094 8.528 -9.855 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.188 6.595 -9.545 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.034 7.949 -9.579 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.641 6.468 -8.675 1.00 0.00 H new ATOM 911 N PHE A 64 0.021 6.874 -9.440 1.00 0.00 N ATOM 912 CA PHE A 64 -1.422 6.970 -9.582 1.00 0.00 C ATOM 913 C PHE A 64 -1.842 8.390 -9.969 1.00 0.00 C ATOM 914 O PHE A 64 -0.996 9.235 -10.256 1.00 0.00 O ATOM 915 CB PHE A 64 -2.029 6.625 -8.221 1.00 0.00 C ATOM 916 CG PHE A 64 -2.091 5.124 -7.929 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.914 4.323 -8.657 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.321 4.591 -6.942 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.971 2.930 -8.386 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.378 3.198 -6.672 1.00 0.00 C ATOM 921 CZ PHE A 64 -2.202 2.397 -7.399 1.00 0.00 C ATOM 0 H PHE A 64 0.445 7.614 -8.881 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.765 6.293 -10.364 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.445 7.113 -7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.037 7.037 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.524 4.746 -9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.667 5.227 -6.364 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.625 2.294 -8.964 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.767 2.775 -5.889 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.246 1.338 -7.193 1.00 0.00 H new ATOM 931 N THR A 65 -3.149 8.608 -9.964 1.00 0.00 N ATOM 932 CA THR A 65 -3.692 9.910 -10.312 1.00 0.00 C ATOM 933 C THR A 65 -4.663 10.389 -9.230 1.00 0.00 C ATOM 934 O THR A 65 -5.627 9.697 -8.907 1.00 0.00 O ATOM 935 CB THR A 65 -4.331 9.802 -11.698 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.224 9.837 -12.594 1.00 0.00 O ATOM 937 CG2 THR A 65 -5.146 11.043 -12.065 1.00 0.00 C ATOM 0 H THR A 65 -3.848 7.905 -9.724 1.00 0.00 H new ATOM 0 HA THR A 65 -2.908 10.666 -10.359 1.00 0.00 H new ATOM 0 HB THR A 65 -4.973 8.922 -11.734 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.548 9.770 -13.517 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.578 10.914 -13.058 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.945 11.182 -11.337 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.497 11.919 -12.062 1.00 0.00 H new ATOM 945 N VAL A 66 -4.374 11.569 -8.701 1.00 0.00 N ATOM 946 CA VAL A 66 -5.210 12.148 -7.663 1.00 0.00 C ATOM 947 C VAL A 66 -6.023 13.302 -8.254 1.00 0.00 C ATOM 948 O VAL A 66 -5.561 13.990 -9.163 1.00 0.00 O ATOM 949 CB VAL A 66 -4.347 12.573 -6.473 1.00 0.00 C ATOM 950 CG1 VAL A 66 -5.206 12.804 -5.228 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.248 11.544 -6.198 1.00 0.00 C ATOM 0 H VAL A 66 -3.573 12.140 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.918 11.410 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.866 13.517 -6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.568 13.105 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.935 13.589 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.728 11.882 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.649 11.870 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.701 10.578 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.610 11.450 -7.077 1.00 0.00 H new ATOM 961 N SER A 67 -7.220 13.477 -7.713 1.00 0.00 N ATOM 962 CA SER A 67 -8.101 14.536 -8.175 1.00 0.00 C ATOM 963 C SER A 67 -9.117 14.884 -7.085 1.00 0.00 C ATOM 964 O SER A 67 -9.018 15.936 -6.454 1.00 0.00 O ATOM 965 CB SER A 67 -8.823 14.129 -9.462 1.00 0.00 C ATOM 966 OG SER A 67 -9.633 12.971 -9.277 1.00 0.00 O ATOM 0 H SER A 67 -7.600 12.904 -6.960 1.00 0.00 H new ATOM 0 HA SER A 67 -7.495 15.415 -8.392 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.445 14.955 -9.805 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.089 13.936 -10.244 1.00 0.00 H new ATOM 0 HG SER A 67 -10.078 12.745 -10.120 1.00 0.00 H new ATOM 972 N GLU A 68 -10.069 13.982 -6.897 1.00 0.00 N ATOM 973 CA GLU A 68 -11.101 14.181 -5.894 1.00 0.00 C ATOM 974 C GLU A 68 -11.504 12.842 -5.275 1.00 0.00 C ATOM 975 O GLU A 68 -11.641 11.844 -5.980 1.00 0.00 O ATOM 976 CB GLU A 68 -12.314 14.898 -6.490 1.00 0.00 C ATOM 977 CG GLU A 68 -13.258 13.904 -7.170 1.00 0.00 C ATOM 978 CD GLU A 68 -14.424 14.629 -7.846 1.00 0.00 C ATOM 979 OE1 GLU A 68 -15.059 15.452 -7.152 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.653 14.343 -9.041 1.00 0.00 O ATOM 0 H GLU A 68 -10.147 13.111 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.697 14.816 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.848 15.433 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.982 15.643 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.708 13.323 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.642 13.199 -6.433 1.00 0.00 H new ATOM 987 N GLY A 69 -11.684 12.863 -3.962 1.00 0.00 N ATOM 988 CA GLY A 69 -12.070 11.663 -3.240 1.00 0.00 C ATOM 989 C GLY A 69 -10.841 10.839 -2.851 1.00 0.00 C ATOM 990 O GLY A 69 -10.654 10.511 -1.680 1.00 0.00 O ATOM 0 H GLY A 69 -11.569 13.693 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.627 11.937 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.736 11.061 -3.858 1.00 0.00 H new ATOM 994 N THR A 70 -10.034 10.528 -3.855 1.00 0.00 N ATOM 995 CA THR A 70 -8.828 9.748 -3.632 1.00 0.00 C ATOM 996 C THR A 70 -7.888 10.483 -2.674 1.00 0.00 C ATOM 997 O THR A 70 -7.170 11.396 -3.081 1.00 0.00 O ATOM 998 CB THR A 70 -8.198 9.452 -4.994 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.262 8.883 -5.752 1.00 0.00 O ATOM 1000 CG2 THR A 70 -7.152 8.338 -4.926 1.00 0.00 C ATOM 0 H THR A 70 -10.192 10.802 -4.825 1.00 0.00 H new ATOM 0 HA THR A 70 -9.055 8.797 -3.150 1.00 0.00 H new ATOM 0 HB THR A 70 -7.737 10.359 -5.385 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.058 8.956 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.736 8.168 -5.919 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.354 8.630 -4.244 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.620 7.421 -4.567 1.00 0.00 H new ATOM 1008 N THR A 71 -7.922 10.057 -1.420 1.00 0.00 N ATOM 1009 CA THR A 71 -7.081 10.663 -0.401 1.00 0.00 C ATOM 1010 C THR A 71 -6.359 9.583 0.406 1.00 0.00 C ATOM 1011 O THR A 71 -5.696 9.883 1.398 1.00 0.00 O ATOM 1012 CB THR A 71 -7.961 11.575 0.456 1.00 0.00 C ATOM 1013 OG1 THR A 71 -9.115 10.786 0.733 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.507 12.770 -0.329 1.00 0.00 C ATOM 0 H THR A 71 -8.518 9.300 -1.086 1.00 0.00 H new ATOM 0 HA THR A 71 -6.294 11.271 -0.847 1.00 0.00 H new ATOM 0 HB THR A 71 -7.386 11.934 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.718 10.806 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.125 13.384 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.677 13.366 -0.709 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.109 12.412 -1.164 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.510 8.348 -0.050 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.880 7.222 0.617 1.00 0.00 C ATOM 1024 C GLU A 72 -5.706 6.056 -0.359 1.00 0.00 C ATOM 1025 O GLU A 72 -6.464 5.928 -1.319 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.684 6.792 1.846 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.802 5.822 1.458 1.00 0.00 C ATOM 1028 CD GLU A 72 -9.080 6.116 2.246 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.154 5.649 3.403 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.954 6.802 1.674 1.00 0.00 O ATOM 0 H GLU A 72 -7.060 8.103 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.894 7.534 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.022 6.318 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.111 7.670 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.003 5.901 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.481 4.797 1.647 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.704 5.236 -0.080 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.421 4.086 -0.921 1.00 0.00 C ATOM 1039 C LEU A 73 -4.724 2.804 -0.143 1.00 0.00 C ATOM 1040 O LEU A 73 -4.483 2.732 1.061 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.991 4.154 -1.460 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.530 2.956 -2.292 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.835 3.169 -3.776 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -1.049 2.657 -2.048 1.00 0.00 C ATOM 0 H LEU A 73 -4.077 5.345 0.717 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.068 4.088 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.896 5.053 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.311 4.268 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.093 2.080 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.497 2.303 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.909 3.296 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.316 4.060 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.746 1.801 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.452 3.526 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.892 2.431 -0.993 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.249 1.822 -0.863 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.587 0.547 -0.255 1.00 0.00 C ATOM 1058 C LYS A 74 -4.544 -0.498 -0.658 1.00 0.00 C ATOM 1059 O LYS A 74 -4.240 -0.653 -1.839 1.00 0.00 O ATOM 1060 CB LYS A 74 -7.023 0.150 -0.606 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.993 0.569 0.500 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.975 2.086 0.700 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.368 2.683 0.492 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.770 2.579 -0.929 1.00 0.00 N ATOM 0 H LYS A 74 -5.448 1.885 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.558 0.624 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.314 0.618 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.080 -0.928 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.002 0.244 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.724 0.073 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.622 2.320 1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.273 2.540 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.091 2.162 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.372 3.728 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.644 3.121 -1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.015 2.962 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.934 1.581 -1.171 1.00 0.00 H new ATOM 1078 N ALA A 75 -4.026 -1.188 0.348 1.00 0.00 N ATOM 1079 CA ALA A 75 -3.024 -2.213 0.113 1.00 0.00 C ATOM 1080 C ALA A 75 -3.488 -3.528 0.744 1.00 0.00 C ATOM 1081 O ALA A 75 -3.460 -3.678 1.965 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.676 -1.746 0.665 1.00 0.00 C ATOM 0 H ALA A 75 -4.281 -1.057 1.327 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.896 -2.386 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.924 -2.515 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.377 -0.825 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.765 -1.564 1.736 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.903 -4.446 -0.116 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.372 -5.743 0.342 1.00 0.00 C ATOM 1090 C LYS A 76 -3.357 -6.817 -0.055 1.00 0.00 C ATOM 1091 O LYS A 76 -3.036 -6.967 -1.232 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.787 -6.013 -0.173 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.834 -5.350 0.725 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.234 -5.887 0.424 1.00 0.00 C ATOM 1095 CE LYS A 76 -9.110 -5.869 1.679 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.618 -4.502 1.936 1.00 0.00 N ATOM 0 H LYS A 76 -3.924 -4.318 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.445 -5.760 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.885 -5.636 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.965 -7.088 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.588 -5.532 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.815 -4.270 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.698 -5.284 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.162 -6.905 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.946 -6.557 1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.534 -6.217 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.210 -4.507 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.816 -3.854 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.184 -4.184 1.124 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.881 -7.536 0.951 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.910 -8.592 0.721 1.00 0.00 C ATOM 1112 C ILE A 77 -2.643 -9.882 0.349 1.00 0.00 C ATOM 1113 O ILE A 77 -3.681 -10.200 0.928 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.983 -8.739 1.930 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.296 -7.412 2.259 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.026 -9.868 1.712 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.135 -6.588 3.238 1.00 0.00 C ATOM 0 H ILE A 77 -3.150 -7.408 1.927 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.264 -8.339 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.589 -9.010 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.687 -7.604 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.137 -6.844 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.673 -9.952 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.506 -10.808 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.631 -9.650 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.624 -5.650 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.108 -6.377 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.271 -7.149 4.162 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.076 -10.590 -0.617 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.663 -11.838 -1.074 1.00 0.00 C ATOM 1131 C PHE A 78 -1.578 -12.856 -1.432 1.00 0.00 C ATOM 1132 O PHE A 78 -0.524 -12.489 -1.949 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.477 -11.516 -2.329 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.634 -10.544 -2.088 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.812 -11.001 -1.583 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.485 -9.224 -2.378 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.886 -10.099 -1.359 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.559 -8.322 -2.154 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.736 -8.779 -1.649 1.00 0.00 C ATOM 0 H PHE A 78 -1.216 -10.323 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.282 -12.268 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.812 -11.094 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.875 -12.444 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.930 -12.049 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.550 -8.861 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.821 -10.461 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.441 -7.274 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.552 -8.093 -1.478 1.00 0.00 H new ATOM 1149 N ASP A 79 -1.873 -14.114 -1.141 1.00 0.00 N ATOM 1150 CA ASP A 79 -0.936 -15.188 -1.426 1.00 0.00 C ATOM 1151 C ASP A 79 -0.957 -15.493 -2.925 1.00 0.00 C ATOM 1152 O ASP A 79 -2.024 -15.564 -3.533 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.319 -16.466 -0.678 1.00 0.00 C ATOM 1154 CG ASP A 79 -2.170 -16.251 0.576 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -3.163 -15.501 0.466 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -1.807 -16.843 1.616 1.00 0.00 O ATOM 0 H ASP A 79 -2.748 -14.414 -0.711 1.00 0.00 H new ATOM 0 HA ASP A 79 0.054 -14.865 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.863 -17.119 -1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.407 -16.990 -0.394 1.00 0.00 H new ATOM 1161 N LYS A 80 0.235 -15.666 -3.478 1.00 0.00 N ATOM 1162 CA LYS A 80 0.367 -15.962 -4.894 1.00 0.00 C ATOM 1163 C LYS A 80 -0.711 -16.968 -5.303 1.00 0.00 C ATOM 1164 O LYS A 80 -1.224 -16.914 -6.419 1.00 0.00 O ATOM 1165 CB LYS A 80 1.791 -16.421 -5.215 1.00 0.00 C ATOM 1166 CG LYS A 80 2.139 -17.700 -4.451 1.00 0.00 C ATOM 1167 CD LYS A 80 3.342 -18.405 -5.082 1.00 0.00 C ATOM 1168 CE LYS A 80 2.896 -19.389 -6.164 1.00 0.00 C ATOM 1169 NZ LYS A 80 3.755 -20.594 -6.156 1.00 0.00 N ATOM 0 H LYS A 80 1.118 -15.607 -2.971 1.00 0.00 H new ATOM 0 HA LYS A 80 0.206 -15.062 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.888 -16.595 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.498 -15.634 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.359 -17.458 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.280 -18.371 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.016 -17.665 -5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.902 -18.935 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.857 -19.675 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.942 -18.909 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.438 -21.251 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.741 -20.318 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.690 -21.060 -5.229 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.021 -17.863 -4.377 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.028 -18.880 -4.627 1.00 0.00 C ATOM 1185 C ASP A 81 -3.398 -18.353 -4.195 1.00 0.00 C ATOM 1186 O ASP A 81 -4.156 -19.055 -3.528 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.738 -20.152 -3.827 1.00 0.00 C ATOM 1188 CG ASP A 81 -2.071 -21.459 -4.547 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -3.146 -21.499 -5.184 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -1.243 -22.390 -4.445 1.00 0.00 O ATOM 0 H ASP A 81 -0.593 -17.905 -3.452 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.014 -19.112 -5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.682 -20.162 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.303 -20.114 -2.896 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.674 -17.119 -4.593 1.00 0.00 N ATOM 1196 CA VAL A 82 -4.939 -16.489 -4.256 1.00 0.00 C ATOM 1197 C VAL A 82 -5.228 -15.368 -5.256 1.00 0.00 C ATOM 1198 O VAL A 82 -4.306 -14.783 -5.822 1.00 0.00 O ATOM 1199 CB VAL A 82 -4.911 -16.004 -2.805 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.184 -15.227 -2.463 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.706 -17.173 -1.840 1.00 0.00 C ATOM 0 H VAL A 82 -3.043 -16.539 -5.146 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.755 -17.207 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.064 -15.326 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.139 -14.893 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.269 -14.361 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.052 -15.872 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.690 -16.801 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.522 -17.886 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.760 -17.666 -2.062 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.513 -15.103 -5.444 1.00 0.00 N ATOM 1212 CA GLY A 83 -6.935 -14.063 -6.366 1.00 0.00 C ATOM 1213 C GLY A 83 -7.341 -12.794 -5.613 1.00 0.00 C ATOM 1214 O GLY A 83 -8.002 -12.867 -4.579 1.00 0.00 O ATOM 0 H GLY A 83 -7.275 -15.591 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.125 -13.836 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.774 -14.420 -6.963 1.00 0.00 H new ATOM 1218 N THR A 84 -6.927 -11.661 -6.162 1.00 0.00 N ATOM 1219 CA THR A 84 -7.239 -10.378 -5.555 1.00 0.00 C ATOM 1220 C THR A 84 -8.645 -10.401 -4.952 1.00 0.00 C ATOM 1221 O THR A 84 -8.907 -9.733 -3.953 1.00 0.00 O ATOM 1222 CB THR A 84 -7.051 -9.294 -6.618 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.668 -9.838 -7.781 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.585 -9.117 -7.021 1.00 0.00 C ATOM 0 H THR A 84 -6.378 -11.605 -7.020 1.00 0.00 H new ATOM 0 HA THR A 84 -6.567 -10.159 -4.725 1.00 0.00 H new ATOM 0 HB THR A 84 -7.441 -8.347 -6.244 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.594 -9.199 -8.520 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.507 -8.336 -7.778 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.999 -8.835 -6.147 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.203 -10.054 -7.426 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.513 -11.177 -5.585 1.00 0.00 N ATOM 1233 CA GLU A 85 -10.885 -11.296 -5.124 1.00 0.00 C ATOM 1234 C GLU A 85 -11.127 -12.685 -4.529 1.00 0.00 C ATOM 1235 O GLU A 85 -11.960 -13.441 -5.027 1.00 0.00 O ATOM 1236 CB GLU A 85 -11.871 -11.005 -6.257 1.00 0.00 C ATOM 1237 CG GLU A 85 -11.698 -9.579 -6.783 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.855 -9.191 -7.706 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -14.007 -9.242 -7.225 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -12.560 -8.851 -8.873 1.00 0.00 O ATOM 0 H GLU A 85 -9.292 -11.729 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.051 -10.554 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.718 -11.717 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.892 -11.143 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.646 -8.883 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.755 -9.499 -7.323 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.385 -12.978 -3.472 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.508 -14.262 -2.804 1.00 0.00 C ATOM 1249 C ASP A 86 -10.382 -14.060 -1.292 1.00 0.00 C ATOM 1250 O ASP A 86 -11.366 -14.169 -0.563 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.402 -15.222 -3.246 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.378 -16.564 -2.512 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -9.362 -16.527 -1.263 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.376 -17.596 -3.217 1.00 0.00 O ATOM 0 H ASP A 86 -9.696 -12.348 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.478 -14.685 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.511 -15.411 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.439 -14.731 -3.106 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.161 -13.770 -0.866 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.893 -13.552 0.545 1.00 0.00 C ATOM 1261 C ASP A 87 -7.515 -12.906 0.704 1.00 0.00 C ATOM 1262 O ASP A 87 -6.503 -13.494 0.327 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.887 -14.874 1.315 1.00 0.00 C ATOM 1264 CG ASP A 87 -8.055 -14.871 2.599 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -8.346 -14.014 3.462 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -7.146 -15.724 2.688 1.00 0.00 O ATOM 0 H ASP A 87 -8.347 -13.681 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.677 -12.907 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.915 -15.135 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.511 -15.658 0.658 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.521 -11.705 1.264 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.284 -10.973 1.477 1.00 0.00 C ATOM 1273 C ALA A 88 -5.737 -11.300 2.868 1.00 0.00 C ATOM 1274 O ALA A 88 -6.362 -10.976 3.877 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.538 -9.476 1.288 1.00 0.00 C ATOM 0 H ALA A 88 -8.363 -11.221 1.577 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.531 -11.271 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.610 -8.927 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.898 -9.293 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.287 -9.140 2.006 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.575 -11.937 2.877 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.937 -12.311 4.128 1.00 0.00 C ATOM 1283 C VAL A 89 -4.026 -11.142 5.111 1.00 0.00 C ATOM 1284 O VAL A 89 -4.033 -11.345 6.324 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.499 -12.763 3.866 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.447 -14.254 3.524 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.852 -11.924 2.762 1.00 0.00 C ATOM 0 H VAL A 89 -4.059 -12.203 2.038 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.453 -13.157 4.582 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.928 -12.609 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.414 -14.550 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.849 -14.832 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.041 -14.443 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.831 -12.266 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.425 -12.031 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.839 -10.876 3.062 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.093 -9.943 4.551 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.182 -8.742 5.363 1.00 0.00 C ATOM 1299 C GLY A 90 -4.301 -7.494 4.485 1.00 0.00 C ATOM 1300 O GLY A 90 -4.198 -7.579 3.262 1.00 0.00 O ATOM 0 H GLY A 90 -4.087 -9.778 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.046 -8.809 6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.300 -8.662 5.998 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.517 -6.365 5.144 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.651 -5.101 4.439 1.00 0.00 C ATOM 1306 C GLU A 91 -4.131 -3.952 5.305 1.00 0.00 C ATOM 1307 O GLU A 91 -3.907 -4.125 6.502 1.00 0.00 O ATOM 1308 CB GLU A 91 -6.103 -4.859 4.020 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.909 -4.246 5.167 1.00 0.00 C ATOM 1310 CD GLU A 91 -6.949 -2.720 5.054 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.033 -2.238 3.904 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -6.895 -2.071 6.121 1.00 0.00 O ATOM 0 H GLU A 91 -4.603 -6.299 6.158 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.048 -5.147 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.130 -4.195 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.559 -5.800 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.924 -4.642 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.466 -4.532 6.121 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.954 -2.805 4.666 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.464 -1.628 5.362 1.00 0.00 C ATOM 1321 C ALA A 92 -3.950 -0.372 4.636 1.00 0.00 C ATOM 1322 O ALA A 92 -3.976 -0.332 3.407 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.939 -1.691 5.462 1.00 0.00 C ATOM 0 H ALA A 92 -4.141 -2.666 3.673 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.855 -1.593 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.572 -0.808 5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.647 -2.585 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.510 -1.725 4.461 1.00 0.00 H new ATOM 1329 N THR A 93 -4.322 0.624 5.427 1.00 0.00 N ATOM 1330 CA THR A 93 -4.805 1.878 4.875 1.00 0.00 C ATOM 1331 C THR A 93 -3.672 2.903 4.809 1.00 0.00 C ATOM 1332 O THR A 93 -3.138 3.311 5.840 1.00 0.00 O ATOM 1333 CB THR A 93 -5.994 2.339 5.720 1.00 0.00 C ATOM 1334 OG1 THR A 93 -7.010 1.378 5.445 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.587 3.660 5.224 1.00 0.00 C ATOM 0 H THR A 93 -4.299 0.588 6.446 1.00 0.00 H new ATOM 0 HA THR A 93 -5.147 1.753 3.848 1.00 0.00 H new ATOM 0 HB THR A 93 -5.680 2.448 6.758 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.817 1.600 5.954 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.428 3.942 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.825 4.438 5.264 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.931 3.541 4.197 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.338 3.291 3.587 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.277 4.261 3.373 1.00 0.00 C ATOM 1345 C ILE A 94 -2.888 5.581 2.900 1.00 0.00 C ATOM 1346 O ILE A 94 -3.211 5.733 1.723 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.218 3.697 2.424 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.568 2.442 3.010 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.183 4.764 2.062 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.641 1.275 2.023 1.00 0.00 C ATOM 0 H ILE A 94 -3.783 2.951 2.735 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.755 4.468 4.307 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.712 3.400 1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.473 2.649 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.068 2.169 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.558 4.337 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.680 5.602 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.311 5.114 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.172 0.396 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.684 1.055 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.119 1.542 1.104 1.00 0.00 H new ATOM 1362 N PRO A 95 -3.031 6.528 3.866 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.597 7.831 3.559 1.00 0.00 C ATOM 1364 C PRO A 95 -2.590 8.702 2.805 1.00 0.00 C ATOM 1365 O PRO A 95 -1.414 8.748 3.162 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.995 8.413 4.905 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.220 7.623 5.947 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.658 6.384 5.270 1.00 0.00 C ATOM 0 HA PRO A 95 -4.460 7.770 2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.752 9.474 4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.069 8.324 5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.415 8.228 6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.871 7.343 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.576 6.324 5.388 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.076 5.474 5.700 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.089 9.372 1.777 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.248 10.240 0.970 1.00 0.00 C ATOM 1378 C LEU A 96 -2.405 11.685 1.449 1.00 0.00 C ATOM 1379 O LEU A 96 -1.894 12.610 0.820 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.553 10.048 -0.517 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.643 8.600 -1.002 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.371 8.516 -2.346 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.258 7.953 -1.059 1.00 0.00 C ATOM 0 H LEU A 96 -4.065 9.331 1.484 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.198 9.976 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.497 10.545 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.781 10.556 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.233 8.034 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.421 7.476 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.381 8.912 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.830 9.101 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.351 6.924 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.623 8.512 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.812 7.961 -0.065 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.115 11.833 2.558 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.346 13.149 3.128 1.00 0.00 C ATOM 1397 C GLU A 97 -2.026 13.763 3.599 1.00 0.00 C ATOM 1398 O GLU A 97 -1.799 14.960 3.432 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.358 13.081 4.273 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.448 14.141 4.106 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.327 14.226 5.356 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.778 13.987 6.453 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.527 14.530 5.186 1.00 0.00 O ATOM 0 H GLU A 97 -3.538 11.063 3.077 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.766 13.790 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.811 12.090 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.846 13.227 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.990 15.111 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.064 13.901 3.240 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.167 12.892 4.193 1.00 0.00 N ATOM 1411 CA PRO A 98 0.125 13.335 4.689 1.00 0.00 C ATOM 1412 C PRO A 98 1.104 13.569 3.537 1.00 0.00 C ATOM 1413 O PRO A 98 1.987 14.419 3.631 1.00 0.00 O ATOM 1414 CB PRO A 98 0.578 12.241 5.641 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.250 11.015 5.291 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.402 11.467 4.408 1.00 0.00 C ATOM 0 HA PRO A 98 0.071 14.294 5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.643 12.039 5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.420 12.536 6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.362 10.277 4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.627 10.538 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.416 10.921 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.363 11.293 4.891 1.00 0.00 H new ATOM 1424 N VAL A 99 0.914 12.798 2.476 1.00 0.00 N ATOM 1425 CA VAL A 99 1.769 12.910 1.307 1.00 0.00 C ATOM 1426 C VAL A 99 1.324 14.109 0.467 1.00 0.00 C ATOM 1427 O VAL A 99 2.001 14.489 -0.487 1.00 0.00 O ATOM 1428 CB VAL A 99 1.761 11.595 0.524 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.582 11.545 -0.450 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.087 11.385 -0.209 1.00 0.00 C ATOM 0 H VAL A 99 0.180 12.093 2.402 1.00 0.00 H new ATOM 0 HA VAL A 99 2.802 13.088 1.606 1.00 0.00 H new ATOM 0 HB VAL A 99 1.641 10.780 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.599 10.601 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.352 11.627 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.658 12.372 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.055 10.444 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.251 12.206 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.902 11.356 0.514 1.00 0.00 H new ATOM 1440 N PHE A 100 0.187 14.670 0.852 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.357 15.818 0.146 1.00 0.00 C ATOM 1442 C PHE A 100 0.042 17.125 0.835 1.00 0.00 C ATOM 1443 O PHE A 100 0.184 18.157 0.181 1.00 0.00 O ATOM 1444 CB PHE A 100 -1.881 15.682 0.180 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.425 14.556 -0.701 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.593 13.894 -1.550 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.740 14.215 -0.634 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.098 12.848 -2.367 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.245 13.169 -1.451 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.413 12.508 -2.301 1.00 0.00 C ATOM 0 H PHE A 100 -0.372 14.351 1.643 1.00 0.00 H new ATOM 0 HA PHE A 100 0.027 15.844 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.197 15.510 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.327 16.625 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.549 14.164 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.400 14.740 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.438 12.322 -3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.289 12.898 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.797 11.713 -2.923 1.00 0.00 H new ATOM 1460 N VAL A 101 0.212 17.038 2.146 1.00 0.00 N ATOM 1461 CA VAL A 101 0.592 18.200 2.930 1.00 0.00 C ATOM 1462 C VAL A 101 2.115 18.239 3.072 1.00 0.00 C ATOM 1463 O VAL A 101 2.710 19.314 3.118 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.134 18.183 4.277 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.615 17.844 4.097 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.537 17.210 5.249 1.00 0.00 C ATOM 0 H VAL A 101 0.093 16.180 2.685 1.00 0.00 H new ATOM 0 HA VAL A 101 0.289 19.117 2.424 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.069 19.183 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.108 17.838 5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.084 18.591 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.710 16.861 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.002 17.217 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.517 16.204 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.571 17.515 5.413 1.00 0.00 H new ATOM 1476 N GLU A 102 2.701 17.053 3.137 1.00 0.00 N ATOM 1477 CA GLU A 102 4.143 16.937 3.273 1.00 0.00 C ATOM 1478 C GLU A 102 4.810 16.968 1.896 1.00 0.00 C ATOM 1479 O GLU A 102 5.917 17.485 1.750 1.00 0.00 O ATOM 1480 CB GLU A 102 4.522 15.667 4.037 1.00 0.00 C ATOM 1481 CG GLU A 102 3.905 15.664 5.437 1.00 0.00 C ATOM 1482 CD GLU A 102 4.890 16.213 6.471 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.046 17.453 6.504 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.464 15.380 7.205 1.00 0.00 O ATOM 0 H GLU A 102 2.203 16.163 3.098 1.00 0.00 H new ATOM 0 HA GLU A 102 4.503 17.789 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.182 14.791 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.607 15.595 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.996 16.266 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.615 14.649 5.709 1.00 0.00 H new ATOM 1491 N GLY A 103 4.108 16.410 0.921 1.00 0.00 N ATOM 1492 CA GLY A 103 4.619 16.367 -0.439 1.00 0.00 C ATOM 1493 C GLY A 103 5.495 15.132 -0.657 1.00 0.00 C ATOM 1494 O GLY A 103 5.892 14.840 -1.784 1.00 0.00 O ATOM 0 H GLY A 103 3.190 15.984 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.787 16.356 -1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.198 17.268 -0.643 1.00 0.00 H new ATOM 1498 N SER A 104 5.771 14.440 0.439 1.00 0.00 N ATOM 1499 CA SER A 104 6.593 13.243 0.381 1.00 0.00 C ATOM 1500 C SER A 104 6.667 12.592 1.764 1.00 0.00 C ATOM 1501 O SER A 104 6.934 13.266 2.758 1.00 0.00 O ATOM 1502 CB SER A 104 7.998 13.565 -0.130 1.00 0.00 C ATOM 1503 OG SER A 104 8.714 14.407 0.769 1.00 0.00 O ATOM 0 H SER A 104 5.440 14.685 1.372 1.00 0.00 H new ATOM 0 HA SER A 104 6.133 12.545 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.552 12.638 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.927 14.051 -1.103 1.00 0.00 H new ATOM 0 HG SER A 104 9.607 14.588 0.407 1.00 0.00 H new ATOM 1509 N ILE A 105 6.425 11.290 1.783 1.00 0.00 N ATOM 1510 CA ILE A 105 6.461 10.540 3.027 1.00 0.00 C ATOM 1511 C ILE A 105 7.424 9.360 2.880 1.00 0.00 C ATOM 1512 O ILE A 105 7.464 8.715 1.833 1.00 0.00 O ATOM 1513 CB ILE A 105 5.048 10.132 3.448 1.00 0.00 C ATOM 1514 CG1 ILE A 105 4.079 11.311 3.333 1.00 0.00 C ATOM 1515 CG2 ILE A 105 5.048 9.524 4.852 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.167 12.214 4.565 1.00 0.00 C ATOM 0 H ILE A 105 6.203 10.735 0.957 1.00 0.00 H new ATOM 0 HA ILE A 105 6.842 11.163 3.836 1.00 0.00 H new ATOM 0 HB ILE A 105 4.697 9.360 2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.308 11.888 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.060 10.940 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.031 9.243 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.685 8.640 4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.427 10.256 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.469 13.044 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.914 11.639 5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.181 12.603 4.659 1.00 0.00 H new ATOM 1528 N PRO A 106 8.196 9.108 3.970 1.00 0.00 N ATOM 1529 CA PRO A 106 9.156 8.017 3.972 1.00 0.00 C ATOM 1530 C PRO A 106 8.451 6.667 4.116 1.00 0.00 C ATOM 1531 O PRO A 106 7.241 6.614 4.334 1.00 0.00 O ATOM 1532 CB PRO A 106 10.096 8.322 5.127 1.00 0.00 C ATOM 1533 CG PRO A 106 9.360 9.314 6.013 1.00 0.00 C ATOM 1534 CD PRO A 106 8.176 9.852 5.226 1.00 0.00 C ATOM 0 HA PRO A 106 9.709 7.941 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.344 7.415 5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 106 11.035 8.742 4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 106 9.021 8.830 6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 106 10.023 10.127 6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.240 9.697 5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.270 10.924 5.053 1.00 0.00 H new ATOM 1542 N PRO A 107 9.258 5.580 3.984 1.00 0.00 N ATOM 1543 CA PRO A 107 8.724 4.234 4.097 1.00 0.00 C ATOM 1544 C PRO A 107 8.430 3.881 5.557 1.00 0.00 C ATOM 1545 O PRO A 107 9.344 3.579 6.323 1.00 0.00 O ATOM 1546 CB PRO A 107 9.781 3.338 3.472 1.00 0.00 C ATOM 1547 CG PRO A 107 11.062 4.156 3.453 1.00 0.00 C ATOM 1548 CD PRO A 107 10.695 5.605 3.725 1.00 0.00 C ATOM 0 HA PRO A 107 7.768 4.117 3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.910 2.424 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.493 3.039 2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.759 3.791 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.560 4.063 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.245 5.999 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.933 6.241 2.872 1.00 0.00 H new ATOM 1556 N THR A 108 7.151 3.932 5.898 1.00 0.00 N ATOM 1557 CA THR A 108 6.724 3.622 7.252 1.00 0.00 C ATOM 1558 C THR A 108 5.854 2.364 7.262 1.00 0.00 C ATOM 1559 O THR A 108 5.185 2.059 6.276 1.00 0.00 O ATOM 1560 CB THR A 108 6.016 4.855 7.818 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.042 5.553 8.519 1.00 0.00 O ATOM 1562 CG2 THR A 108 4.999 4.498 8.905 1.00 0.00 C ATOM 0 H THR A 108 6.396 4.183 5.260 1.00 0.00 H new ATOM 0 HA THR A 108 7.576 3.395 7.893 1.00 0.00 H new ATOM 0 HB THR A 108 5.513 5.388 7.011 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.670 6.368 8.917 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.525 5.408 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.239 3.836 8.489 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.507 3.995 9.728 1.00 0.00 H new ATOM 1570 N ALA A 109 5.893 1.666 8.388 1.00 0.00 N ATOM 1571 CA ALA A 109 5.116 0.447 8.539 1.00 0.00 C ATOM 1572 C ALA A 109 3.679 0.807 8.922 1.00 0.00 C ATOM 1573 O ALA A 109 3.426 1.271 10.033 1.00 0.00 O ATOM 1574 CB ALA A 109 5.786 -0.459 9.574 1.00 0.00 C ATOM 0 H ALA A 109 6.450 1.921 9.204 1.00 0.00 H new ATOM 0 HA ALA A 109 5.078 -0.103 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.204 -1.374 9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.793 -0.709 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.839 0.059 10.531 1.00 0.00 H new ATOM 1580 N TYR A 110 2.775 0.579 7.980 1.00 0.00 N ATOM 1581 CA TYR A 110 1.370 0.874 8.205 1.00 0.00 C ATOM 1582 C TYR A 110 0.660 -0.311 8.861 1.00 0.00 C ATOM 1583 O TYR A 110 0.870 -1.459 8.472 1.00 0.00 O ATOM 1584 CB TYR A 110 0.763 1.114 6.821 1.00 0.00 C ATOM 1585 CG TYR A 110 1.249 2.397 6.142 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.839 3.626 6.617 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.096 2.324 5.055 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.296 4.833 5.979 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.553 3.531 4.417 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.130 4.726 4.910 1.00 0.00 C ATOM 1591 OH TYR A 110 2.561 5.866 4.307 1.00 0.00 O ATOM 0 H TYR A 110 2.988 0.194 7.060 1.00 0.00 H new ATOM 0 HA TYR A 110 1.259 1.734 8.865 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.998 0.264 6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.322 1.153 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.175 3.682 7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.416 1.362 4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.984 5.801 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.217 3.489 3.566 1.00 0.00 H new ATOM 0 HH TYR A 110 3.151 5.637 3.559 1.00 0.00 H new ATOM 1601 N ASN A 111 -0.167 0.007 9.847 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.909 -1.017 10.561 1.00 0.00 C ATOM 1603 C ASN A 111 -1.588 -1.945 9.553 1.00 0.00 C ATOM 1604 O ASN A 111 -2.400 -1.501 8.743 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.998 -0.396 11.440 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.461 0.817 12.203 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.365 1.297 11.966 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -2.292 1.284 13.130 1.00 0.00 N ATOM 0 H ASN A 111 -0.339 0.960 10.168 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.207 -1.566 11.189 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.843 -0.096 10.821 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.369 -1.139 12.146 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.026 2.091 13.694 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.196 0.835 13.278 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.231 -3.219 9.635 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.795 -4.214 8.740 1.00 0.00 C ATOM 1617 C VAL A 112 -2.772 -5.098 9.518 1.00 0.00 C ATOM 1618 O VAL A 112 -2.359 -5.888 10.366 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.674 -5.009 8.068 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.217 -6.288 7.427 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.066 -4.151 7.039 1.00 0.00 C ATOM 0 H VAL A 112 -0.558 -3.584 10.308 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.358 -3.733 7.940 1.00 0.00 H new ATOM 0 HB VAL A 112 0.040 -5.298 8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.400 -6.834 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.677 -6.912 8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.962 -6.030 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.858 -4.740 6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.634 -3.818 6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.502 -3.283 7.535 1.00 0.00 H new ATOM 1631 N VAL A 113 -4.048 -4.936 9.202 1.00 0.00 N ATOM 1632 CA VAL A 113 -5.087 -5.709 9.860 1.00 0.00 C ATOM 1633 C VAL A 113 -5.730 -6.658 8.847 1.00 0.00 C ATOM 1634 O VAL A 113 -5.484 -6.550 7.647 1.00 0.00 O ATOM 1635 CB VAL A 113 -6.096 -4.771 10.526 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.759 -4.562 12.003 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.172 -3.434 9.786 1.00 0.00 C ATOM 0 H VAL A 113 -4.386 -4.280 8.498 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.661 -6.322 10.654 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.078 -5.241 10.471 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.492 -3.891 12.452 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.780 -5.521 12.520 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.765 -4.124 12.091 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.896 -2.786 10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.192 -2.957 9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.482 -3.606 8.755 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.543 -7.566 9.368 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.224 -8.533 8.523 1.00 0.00 C ATOM 1649 C LYS A 114 -8.625 -8.792 9.080 1.00 0.00 C ATOM 1650 O LYS A 114 -8.818 -9.696 9.891 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.379 -9.800 8.371 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.165 -10.900 7.656 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.847 -10.358 6.397 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.689 -11.441 5.720 1.00 0.00 C ATOM 1655 NZ LYS A 114 -10.130 -11.125 5.837 1.00 0.00 N ATOM 0 H LYS A 114 -6.745 -7.652 10.364 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.349 -8.138 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.473 -9.572 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.065 -10.152 9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.494 -11.716 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.915 -11.313 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.480 -9.510 6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.093 -9.990 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.412 -11.521 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.484 -12.409 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.678 -12.008 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.298 -10.590 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.428 -10.554 5.020 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.568 -7.981 8.622 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.946 -8.111 9.064 1.00 0.00 C ATOM 1671 C ASP A 115 -11.142 -7.307 10.350 1.00 0.00 C ATOM 1672 O ASP A 115 -12.264 -6.929 10.685 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.294 -9.571 9.360 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.745 -9.961 9.074 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.631 -9.371 9.729 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.936 -10.841 8.206 1.00 0.00 O ATOM 0 H ASP A 115 -9.405 -7.232 7.949 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.592 -7.741 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.638 -10.212 8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.079 -9.774 10.409 1.00 0.00 H new ATOM 1681 N GLU A 116 -10.035 -7.071 11.037 1.00 0.00 N ATOM 1682 CA GLU A 116 -10.071 -6.319 12.280 1.00 0.00 C ATOM 1683 C GLU A 116 -8.863 -6.673 13.150 1.00 0.00 C ATOM 1684 O GLU A 116 -8.484 -5.906 14.034 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.380 -6.565 13.032 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.772 -8.044 12.981 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.936 -8.616 14.390 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -11.158 -8.190 15.271 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.835 -9.468 14.555 1.00 0.00 O ATOM 0 H GLU A 116 -9.107 -7.387 10.757 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.022 -5.257 12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.272 -6.249 14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.174 -5.959 12.595 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.704 -8.158 12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.010 -8.608 12.442 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.293 -7.836 12.870 1.00 0.00 N ATOM 1697 CA GLU A 117 -7.137 -8.301 13.617 1.00 0.00 C ATOM 1698 C GLU A 117 -5.847 -7.786 12.973 1.00 0.00 C ATOM 1699 O GLU A 117 -5.718 -7.783 11.750 1.00 0.00 O ATOM 1700 CB GLU A 117 -7.127 -9.828 13.717 1.00 0.00 C ATOM 1701 CG GLU A 117 -8.042 -10.309 14.845 1.00 0.00 C ATOM 1702 CD GLU A 117 -9.003 -11.391 14.348 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -9.693 -11.118 13.341 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -9.026 -12.466 14.985 1.00 0.00 O ATOM 0 H GLU A 117 -8.610 -8.470 12.136 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.199 -7.903 14.630 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.452 -10.260 12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.110 -10.178 13.894 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.440 -10.701 15.664 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.610 -9.467 15.241 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.927 -7.362 13.826 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.652 -6.846 13.357 1.00 0.00 C ATOM 1713 C TYR A 118 -2.720 -7.985 12.938 1.00 0.00 C ATOM 1714 O TYR A 118 -2.280 -8.771 13.776 1.00 0.00 O ATOM 1715 CB TYR A 118 -3.033 -6.106 14.544 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.802 -5.272 14.185 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.956 -4.019 13.628 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.537 -5.773 14.417 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.797 -3.234 13.290 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.622 -4.989 14.078 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.435 -3.758 13.531 1.00 0.00 C ATOM 1722 OH TYR A 118 1.529 -3.017 13.212 1.00 0.00 O ATOM 0 H TYR A 118 -5.039 -7.365 14.840 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.795 -6.200 12.491 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.786 -5.452 14.984 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.756 -6.833 15.308 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.946 -3.627 13.446 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.417 -6.754 14.853 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.904 -2.251 12.855 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.617 -5.370 14.254 1.00 0.00 H new ATOM 0 HH TYR A 118 2.341 -3.517 13.440 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.446 -8.037 11.643 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.574 -9.066 11.104 1.00 0.00 C ATOM 1734 C LYS A 119 -0.116 -8.632 11.270 1.00 0.00 C ATOM 1735 O LYS A 119 0.771 -9.470 11.428 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.958 -9.391 9.659 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.421 -9.829 9.566 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.678 -11.069 10.424 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.476 -10.710 11.680 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.272 -11.731 12.732 1.00 0.00 N ATOM 0 H LYS A 119 -2.813 -7.383 10.951 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.695 -9.996 11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.796 -8.516 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.313 -10.182 9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.069 -9.016 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.675 -10.042 8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.223 -11.812 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.728 -11.522 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.165 -9.732 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.536 -10.637 11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.191 -12.001 13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.816 -12.569 12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.665 -11.341 13.481 1.00 0.00 H new ATOM 1754 N GLY A 120 0.087 -7.323 11.228 1.00 0.00 N ATOM 1755 CA GLY A 120 1.421 -6.768 11.371 1.00 0.00 C ATOM 1756 C GLY A 120 1.480 -5.336 10.836 1.00 0.00 C ATOM 1757 O GLY A 120 0.572 -4.542 11.076 1.00 0.00 O ATOM 0 H GLY A 120 -0.651 -6.631 11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.713 -6.780 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.137 -7.390 10.834 1.00 0.00 H new ATOM 1761 N GLU A 121 2.557 -5.049 10.120 1.00 0.00 N ATOM 1762 CA GLU A 121 2.746 -3.727 9.548 1.00 0.00 C ATOM 1763 C GLU A 121 3.310 -3.837 8.130 1.00 0.00 C ATOM 1764 O GLU A 121 4.052 -4.770 7.824 1.00 0.00 O ATOM 1765 CB GLU A 121 3.654 -2.871 10.434 1.00 0.00 C ATOM 1766 CG GLU A 121 4.939 -3.621 10.790 1.00 0.00 C ATOM 1767 CD GLU A 121 5.555 -3.073 12.079 1.00 0.00 C ATOM 1768 OE1 GLU A 121 4.798 -2.964 13.067 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.769 -2.777 12.046 1.00 0.00 O ATOM 0 H GLU A 121 3.308 -5.710 9.923 1.00 0.00 H new ATOM 0 HA GLU A 121 1.775 -3.234 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.901 -1.943 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.124 -2.597 11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.723 -4.683 10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.655 -3.530 9.973 1.00 0.00 H new ATOM 1776 N ILE A 122 2.937 -2.873 7.302 1.00 0.00 N ATOM 1777 CA ILE A 122 3.396 -2.850 5.924 1.00 0.00 C ATOM 1778 C ILE A 122 4.201 -1.571 5.680 1.00 0.00 C ATOM 1779 O ILE A 122 3.702 -0.469 5.900 1.00 0.00 O ATOM 1780 CB ILE A 122 2.219 -3.028 4.964 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.705 -3.180 3.521 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.212 -1.885 5.112 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.526 -3.259 2.550 1.00 0.00 C ATOM 0 H ILE A 122 2.322 -2.101 7.559 1.00 0.00 H new ATOM 0 HA ILE A 122 4.064 -3.689 5.731 1.00 0.00 H new ATOM 0 HB ILE A 122 1.701 -3.950 5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.342 -2.336 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.315 -4.079 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.385 -2.036 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.830 -1.866 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.702 -0.937 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.900 -3.367 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.905 -4.119 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.932 -2.348 2.624 1.00 0.00 H new ATOM 1795 N TRP A 123 5.432 -1.762 5.229 1.00 0.00 N ATOM 1796 CA TRP A 123 6.310 -0.638 4.953 1.00 0.00 C ATOM 1797 C TRP A 123 6.036 -0.164 3.524 1.00 0.00 C ATOM 1798 O TRP A 123 6.139 -0.943 2.578 1.00 0.00 O ATOM 1799 CB TRP A 123 7.774 -1.015 5.188 1.00 0.00 C ATOM 1800 CG TRP A 123 8.137 -1.214 6.661 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.748 -2.200 7.481 1.00 0.00 C ATOM 1802 CD2 TRP A 123 8.983 -0.360 7.460 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.279 -2.045 8.745 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.054 -0.891 8.732 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.666 0.821 7.120 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.797 -0.308 9.766 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.403 1.391 8.164 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.485 0.870 9.450 1.00 0.00 C ATOM 0 H TRP A 123 5.842 -2.678 5.048 1.00 0.00 H new ATOM 0 HA TRP A 123 6.109 0.186 5.638 1.00 0.00 H new ATOM 0 HB2 TRP A 123 7.994 -1.933 4.643 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.411 -0.236 4.770 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.100 -3.014 7.189 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.130 -2.663 9.542 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.625 1.254 6.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.837 -0.743 10.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.947 2.301 7.956 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.076 1.371 10.202 1.00 0.00 H new ATOM 1819 N VAL A 124 5.693 1.111 3.413 1.00 0.00 N ATOM 1820 CA VAL A 124 5.404 1.698 2.116 1.00 0.00 C ATOM 1821 C VAL A 124 5.692 3.200 2.165 1.00 0.00 C ATOM 1822 O VAL A 124 5.305 3.879 3.115 1.00 0.00 O ATOM 1823 CB VAL A 124 3.965 1.378 1.705 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.683 1.853 0.279 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.673 -0.117 1.853 1.00 0.00 C ATOM 0 H VAL A 124 5.609 1.754 4.200 1.00 0.00 H new ATOM 0 HA VAL A 124 6.050 1.268 1.350 1.00 0.00 H new ATOM 0 HB VAL A 124 3.297 1.918 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.654 1.613 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.832 2.931 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.362 1.354 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.644 -0.318 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.353 -0.685 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.814 -0.414 2.892 1.00 0.00 H new ATOM 1835 N ALA A 125 6.368 3.675 1.129 1.00 0.00 N ATOM 1836 CA ALA A 125 6.712 5.084 1.042 1.00 0.00 C ATOM 1837 C ALA A 125 5.749 5.781 0.079 1.00 0.00 C ATOM 1838 O ALA A 125 5.345 5.201 -0.928 1.00 0.00 O ATOM 1839 CB ALA A 125 8.173 5.227 0.611 1.00 0.00 C ATOM 0 H ALA A 125 6.687 3.109 0.343 1.00 0.00 H new ATOM 0 HA ALA A 125 6.611 5.565 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.431 6.284 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.818 4.741 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.312 4.759 -0.363 1.00 0.00 H new ATOM 1845 N LEU A 126 5.409 7.014 0.423 1.00 0.00 N ATOM 1846 CA LEU A 126 4.501 7.796 -0.399 1.00 0.00 C ATOM 1847 C LEU A 126 5.210 9.070 -0.864 1.00 0.00 C ATOM 1848 O LEU A 126 5.881 9.734 -0.076 1.00 0.00 O ATOM 1849 CB LEU A 126 3.193 8.059 0.350 1.00 0.00 C ATOM 1850 CG LEU A 126 2.429 6.820 0.822 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.297 7.204 1.776 1.00 0.00 C ATOM 1852 CD2 LEU A 126 1.923 6.001 -0.368 1.00 0.00 C ATOM 0 H LEU A 126 5.746 7.491 1.259 1.00 0.00 H new ATOM 0 HA LEU A 126 4.223 7.240 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.414 8.678 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.537 8.641 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 126 3.118 6.186 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.770 6.305 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.712 7.711 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.601 7.870 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.384 5.126 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.255 6.614 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.770 5.679 -0.974 1.00 0.00 H new ATOM 1864 N SER A 127 5.036 9.372 -2.143 1.00 0.00 N ATOM 1865 CA SER A 127 5.651 10.554 -2.722 1.00 0.00 C ATOM 1866 C SER A 127 4.682 11.221 -3.701 1.00 0.00 C ATOM 1867 O SER A 127 4.499 10.745 -4.820 1.00 0.00 O ATOM 1868 CB SER A 127 6.961 10.203 -3.429 1.00 0.00 C ATOM 1869 OG SER A 127 8.091 10.774 -2.775 1.00 0.00 O ATOM 0 H SER A 127 4.478 8.819 -2.794 1.00 0.00 H new ATOM 0 HA SER A 127 5.880 11.250 -1.915 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.073 9.119 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.922 10.556 -4.460 1.00 0.00 H new ATOM 0 HG SER A 127 8.908 10.525 -3.256 1.00 0.00 H new ATOM 1875 N PHE A 128 4.087 12.313 -3.243 1.00 0.00 N ATOM 1876 CA PHE A 128 3.142 13.050 -4.064 1.00 0.00 C ATOM 1877 C PHE A 128 3.863 14.065 -4.954 1.00 0.00 C ATOM 1878 O PHE A 128 4.948 14.533 -4.614 1.00 0.00 O ATOM 1879 CB PHE A 128 2.209 13.799 -3.110 1.00 0.00 C ATOM 1880 CG PHE A 128 1.040 14.500 -3.804 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.188 13.786 -4.589 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.852 15.836 -3.638 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.897 14.437 -5.233 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.233 16.487 -4.282 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.085 15.773 -5.067 1.00 0.00 C ATOM 0 H PHE A 128 4.241 12.705 -2.314 1.00 0.00 H new ATOM 0 HA PHE A 128 2.597 12.363 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.814 13.095 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.788 14.540 -2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.337 12.725 -4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.529 16.403 -3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.574 13.870 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.382 17.548 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.910 16.268 -5.558 1.00 0.00 H new ATOM 1895 N LYS A 129 3.230 14.375 -6.076 1.00 0.00 N ATOM 1896 CA LYS A 129 3.798 15.325 -7.017 1.00 0.00 C ATOM 1897 C LYS A 129 2.689 16.238 -7.545 1.00 0.00 C ATOM 1898 O LYS A 129 2.051 15.928 -8.550 1.00 0.00 O ATOM 1899 CB LYS A 129 4.569 14.594 -8.118 1.00 0.00 C ATOM 1900 CG LYS A 129 5.783 13.861 -7.543 1.00 0.00 C ATOM 1901 CD LYS A 129 6.277 12.779 -8.506 1.00 0.00 C ATOM 1902 CE LYS A 129 7.805 12.720 -8.525 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.273 11.756 -9.546 1.00 0.00 N ATOM 0 H LYS A 129 2.330 13.985 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 129 4.528 15.964 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.911 13.881 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.895 15.308 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.584 14.574 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.520 13.409 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.876 11.811 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.905 12.983 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.211 13.709 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.176 12.427 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.313 11.728 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.901 10.810 -9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.935 12.052 -10.484 1.00 0.00 H new ATOM 1917 N PRO A 130 2.488 17.374 -6.825 1.00 0.00 N ATOM 1918 CA PRO A 130 1.467 18.333 -7.210 1.00 0.00 C ATOM 1919 C PRO A 130 1.909 19.144 -8.430 1.00 0.00 C ATOM 1920 O PRO A 130 3.103 19.356 -8.639 1.00 0.00 O ATOM 1921 CB PRO A 130 1.247 19.191 -5.975 1.00 0.00 C ATOM 1922 CG PRO A 130 2.473 18.984 -5.100 1.00 0.00 C ATOM 1923 CD PRO A 130 3.224 17.773 -5.629 1.00 0.00 C ATOM 0 HA PRO A 130 0.537 17.856 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.132 20.241 -6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.338 18.895 -5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.111 19.868 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.179 18.828 -4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.259 18.021 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.249 16.970 -4.893 1.00 0.00 H new ATOM 1931 N SER A 131 0.923 19.575 -9.203 1.00 0.00 N ATOM 1932 CA SER A 131 1.196 20.357 -10.397 1.00 0.00 C ATOM 1933 C SER A 131 1.341 21.836 -10.031 1.00 0.00 C ATOM 1934 O SER A 131 0.387 22.604 -10.149 1.00 0.00 O ATOM 1935 CB SER A 131 0.092 20.174 -11.440 1.00 0.00 C ATOM 1936 OG SER A 131 0.420 20.795 -12.680 1.00 0.00 O ATOM 0 H SER A 131 -0.066 19.398 -9.026 1.00 0.00 H new ATOM 0 HA SER A 131 2.131 20.003 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.081 19.110 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.839 20.594 -11.060 1.00 0.00 H new ATOM 0 HG SER A 131 -0.309 20.654 -13.319 1.00 0.00 H new