USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 THR OG1 : rot -47:sc= 0.899 USER MOD Set 1.2: A 26 THR OG1 : rot -160:sc= 1.3 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 8 THR OG1 : rot 59:sc= 1.26 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0579 USER MOD Single : A 38 SER OG : rot -170:sc= 0.0833 USER MOD Single : A 39 HIS : no HE2:sc= -3.82! C(o=-3.8!,f=-5.1!) USER MOD Single : A 40 MET CE :methyl -174:sc=-0.00637 (180deg=-0.0846) USER MOD Single : A 41 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.0065) USER MOD Single : A 45 SER OG : rot 87:sc= 0.833 USER MOD Single : A 49 HIS : no HD1:sc= -0.389 X(o=-0.39,f=0.067) USER MOD Single : A 50 TYR OH : rot -69:sc= -0.352 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0111 (180deg=-0.166) USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= -0.407 (180deg=-1.82!) USER MOD Single : A 60 GLN : amide:sc= -0.293 K(o=-0.29,f=-3.8!) USER MOD Single : A 61 LYS NZ :NH3+ -138:sc= 0.143 (180deg=-0.203) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.173 F(o=-1.3,f=-0.17) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 1.06 (180deg=1.05) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.064 4.010 7.311 1.00 0.00 N ATOM 21 CA PRO A 2 -9.545 5.353 7.680 1.00 0.00 C ATOM 22 C PRO A 2 -8.483 5.858 6.683 1.00 0.00 C ATOM 23 O PRO A 2 -7.629 6.667 7.030 1.00 0.00 O ATOM 24 CB PRO A 2 -8.934 5.072 9.069 1.00 0.00 C ATOM 25 CG PRO A 2 -8.348 3.695 8.932 1.00 0.00 C ATOM 26 CD PRO A 2 -9.297 2.933 8.011 1.00 0.00 C ATOM 0 HA PRO A 2 -10.304 6.135 7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.172 5.807 9.327 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.690 5.109 9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.343 3.737 8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.267 3.205 9.903 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.751 2.308 7.304 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.958 2.275 8.575 1.00 0.00 H new ATOM 34 N THR A 3 -8.597 5.398 5.430 1.00 0.00 N ATOM 35 CA THR A 3 -7.555 5.522 4.415 1.00 0.00 C ATOM 36 C THR A 3 -7.441 6.969 3.911 1.00 0.00 C ATOM 37 O THR A 3 -6.563 7.695 4.368 1.00 0.00 O ATOM 38 CB THR A 3 -7.842 4.513 3.258 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.157 4.745 2.716 1.00 0.00 O ATOM 40 CG2 THR A 3 -7.766 3.067 3.761 1.00 0.00 C ATOM 0 H THR A 3 -9.433 4.921 5.092 1.00 0.00 H new ATOM 0 HA THR A 3 -6.588 5.275 4.854 1.00 0.00 H new ATOM 0 HB THR A 3 -7.086 4.665 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.328 4.109 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.970 2.384 2.936 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.769 2.871 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.505 2.916 4.548 1.00 0.00 H new ATOM 48 N LEU A 4 -8.383 7.403 3.048 1.00 0.00 N ATOM 49 CA LEU A 4 -8.382 8.752 2.454 1.00 0.00 C ATOM 50 C LEU A 4 -8.511 9.822 3.552 1.00 0.00 C ATOM 51 O LEU A 4 -7.862 10.860 3.485 1.00 0.00 O ATOM 52 CB LEU A 4 -9.547 8.879 1.434 1.00 0.00 C ATOM 53 CG LEU A 4 -9.517 7.875 0.234 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.792 7.986 -0.627 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.239 8.061 -0.625 1.00 0.00 C ATOM 0 H LEU A 4 -9.167 6.825 2.744 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.437 8.908 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.488 8.748 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.545 9.893 1.034 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.491 6.868 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.738 7.275 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.666 7.765 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.875 8.997 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.248 7.349 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.212 9.076 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.357 7.889 -0.008 1.00 0.00 H new ATOM 67 N ASP A 5 -9.334 9.501 4.575 1.00 0.00 N ATOM 68 CA ASP A 5 -9.583 10.366 5.748 1.00 0.00 C ATOM 69 C ASP A 5 -8.268 10.779 6.443 1.00 0.00 C ATOM 70 O ASP A 5 -8.039 11.962 6.696 1.00 0.00 O ATOM 71 CB ASP A 5 -10.524 9.641 6.753 1.00 0.00 C ATOM 72 CG ASP A 5 -10.864 10.493 7.995 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.655 11.454 7.871 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.324 10.221 9.096 1.00 0.00 O ATOM 0 H ASP A 5 -9.850 8.622 4.609 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.066 11.277 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.448 9.369 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.053 8.712 7.076 1.00 0.00 H new ATOM 79 N ALA A 6 -7.406 9.788 6.718 1.00 0.00 N ATOM 80 CA ALA A 6 -6.123 10.016 7.408 1.00 0.00 C ATOM 81 C ALA A 6 -5.052 10.541 6.438 1.00 0.00 C ATOM 82 O ALA A 6 -4.163 11.297 6.847 1.00 0.00 O ATOM 83 CB ALA A 6 -5.648 8.735 8.098 1.00 0.00 C ATOM 0 H ALA A 6 -7.575 8.813 6.471 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.284 10.779 8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.700 8.923 8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.391 8.419 8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.514 7.949 7.354 1.00 0.00 H new ATOM 89 N LEU A 7 -5.133 10.137 5.156 1.00 0.00 N ATOM 90 CA LEU A 7 -4.139 10.522 4.133 1.00 0.00 C ATOM 91 C LEU A 7 -4.267 12.012 3.753 1.00 0.00 C ATOM 92 O LEU A 7 -3.263 12.650 3.466 1.00 0.00 O ATOM 93 CB LEU A 7 -4.256 9.621 2.866 1.00 0.00 C ATOM 94 CG LEU A 7 -3.803 8.130 3.016 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.095 7.323 1.727 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.313 8.038 3.415 1.00 0.00 C ATOM 0 H LEU A 7 -5.881 9.541 4.802 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.151 10.371 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.296 9.629 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.667 10.076 2.070 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.387 7.684 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.769 6.292 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.165 7.342 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.556 7.767 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.026 6.991 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.701 8.512 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.159 8.546 4.367 1.00 0.00 H new ATOM 108 N THR A 8 -5.501 12.562 3.778 1.00 0.00 N ATOM 109 CA THR A 8 -5.770 13.966 3.376 1.00 0.00 C ATOM 110 C THR A 8 -4.891 15.005 4.155 1.00 0.00 C ATOM 111 O THR A 8 -4.232 15.828 3.502 1.00 0.00 O ATOM 112 CB THR A 8 -7.297 14.318 3.483 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.057 13.425 2.658 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.596 15.766 3.066 1.00 0.00 C ATOM 0 H THR A 8 -6.334 12.053 4.074 1.00 0.00 H new ATOM 0 HA THR A 8 -5.481 14.040 2.328 1.00 0.00 H new ATOM 0 HB THR A 8 -7.580 14.209 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.895 12.501 2.941 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.665 15.958 3.158 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.047 16.451 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.288 15.918 2.031 1.00 0.00 H new ATOM 122 N PRO A 9 -4.831 14.981 5.545 1.00 0.00 N ATOM 123 CA PRO A 9 -3.913 15.861 6.317 1.00 0.00 C ATOM 124 C PRO A 9 -2.413 15.633 6.002 1.00 0.00 C ATOM 125 O PRO A 9 -1.618 16.557 6.166 1.00 0.00 O ATOM 126 CB PRO A 9 -4.223 15.522 7.801 1.00 0.00 C ATOM 127 CG PRO A 9 -5.597 14.936 7.770 1.00 0.00 C ATOM 128 CD PRO A 9 -5.668 14.168 6.472 1.00 0.00 C ATOM 0 HA PRO A 9 -4.079 16.908 6.062 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.499 14.815 8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.185 16.413 8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.766 14.281 8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.359 15.715 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.279 13.156 6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.693 14.078 6.114 1.00 0.00 H new ATOM 136 N ILE A 10 -2.037 14.407 5.561 1.00 0.00 N ATOM 137 CA ILE A 10 -0.633 14.093 5.184 1.00 0.00 C ATOM 138 C ILE A 10 -0.232 14.911 3.940 1.00 0.00 C ATOM 139 O ILE A 10 0.754 15.641 3.968 1.00 0.00 O ATOM 140 CB ILE A 10 -0.396 12.559 4.887 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.810 11.660 6.099 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.080 12.286 4.462 1.00 0.00 C ATOM 143 CD1 ILE A 10 0.074 11.774 7.333 1.00 0.00 C ATOM 0 H ILE A 10 -2.681 13.623 5.457 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.015 14.358 6.042 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.041 12.291 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.832 11.910 6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.815 10.620 5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.211 11.222 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.310 12.853 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.752 12.592 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.301 11.110 8.112 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.095 11.492 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.062 12.802 7.695 1.00 0.00 H new ATOM 155 N PHE A 11 -1.046 14.805 2.872 1.00 0.00 N ATOM 156 CA PHE A 11 -0.769 15.463 1.573 1.00 0.00 C ATOM 157 C PHE A 11 -0.867 16.998 1.718 1.00 0.00 C ATOM 158 O PHE A 11 0.009 17.727 1.251 1.00 0.00 O ATOM 159 CB PHE A 11 -1.748 14.939 0.476 1.00 0.00 C ATOM 160 CG PHE A 11 -1.529 13.477 0.041 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.640 12.428 0.952 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.230 13.153 -1.284 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.461 11.114 0.565 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.055 11.834 -1.669 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.172 10.816 -0.747 1.00 0.00 C ATOM 0 H PHE A 11 -1.911 14.264 2.881 1.00 0.00 H new ATOM 0 HA PHE A 11 0.246 15.215 1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.769 15.042 0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.660 15.579 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.871 12.647 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.134 13.940 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.548 10.320 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.825 11.602 -2.698 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.037 9.789 -1.053 1.00 0.00 H new ATOM 175 N ARG A 12 -1.925 17.461 2.409 1.00 0.00 N ATOM 176 CA ARG A 12 -2.124 18.893 2.736 1.00 0.00 C ATOM 177 C ARG A 12 -0.908 19.487 3.481 1.00 0.00 C ATOM 178 O ARG A 12 -0.525 20.624 3.223 1.00 0.00 O ATOM 179 CB ARG A 12 -3.419 19.088 3.586 1.00 0.00 C ATOM 180 CG ARG A 12 -4.727 19.251 2.765 1.00 0.00 C ATOM 181 CD ARG A 12 -5.980 19.418 3.670 1.00 0.00 C ATOM 182 NE ARG A 12 -6.954 20.390 3.124 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.121 20.090 2.542 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.424 18.848 2.208 1.00 0.00 N ATOM 185 NH2 ARG A 12 -8.966 21.065 2.256 1.00 0.00 N ATOM 0 H ARG A 12 -2.668 16.856 2.758 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.232 19.428 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.530 18.232 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.292 19.968 4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.636 20.119 2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.860 18.381 2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.467 18.451 3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.666 19.743 4.662 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.714 21.378 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.762 18.094 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.320 18.643 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.725 22.031 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.859 20.852 1.812 1.00 0.00 H new ATOM 199 N GLN A 13 -0.313 18.698 4.391 1.00 0.00 N ATOM 200 CA GLN A 13 0.848 19.124 5.193 1.00 0.00 C ATOM 201 C GLN A 13 2.127 19.196 4.333 1.00 0.00 C ATOM 202 O GLN A 13 2.749 20.257 4.218 1.00 0.00 O ATOM 203 CB GLN A 13 1.054 18.145 6.378 1.00 0.00 C ATOM 204 CG GLN A 13 2.241 18.480 7.311 1.00 0.00 C ATOM 205 CD GLN A 13 2.407 17.474 8.454 1.00 0.00 C ATOM 206 OE1 GLN A 13 1.438 16.889 8.936 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.636 17.253 8.886 1.00 0.00 N ATOM 0 H GLN A 13 -0.623 17.747 4.592 1.00 0.00 H new ATOM 0 HA GLN A 13 0.649 20.124 5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.141 18.122 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.199 17.141 5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.159 18.510 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.097 19.476 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.421 17.752 8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.800 16.583 9.637 1.00 0.00 H new ATOM 216 N VAL A 14 2.487 18.050 3.730 1.00 0.00 N ATOM 217 CA VAL A 14 3.755 17.862 2.995 1.00 0.00 C ATOM 218 C VAL A 14 3.883 18.823 1.784 1.00 0.00 C ATOM 219 O VAL A 14 4.933 19.448 1.597 1.00 0.00 O ATOM 220 CB VAL A 14 3.916 16.361 2.546 1.00 0.00 C ATOM 221 CG1 VAL A 14 5.190 16.159 1.697 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.924 15.405 3.773 1.00 0.00 C ATOM 0 H VAL A 14 1.900 17.216 3.738 1.00 0.00 H new ATOM 0 HA VAL A 14 4.566 18.110 3.680 1.00 0.00 H new ATOM 0 HB VAL A 14 3.054 16.115 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.270 15.112 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.135 16.782 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.066 16.440 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.036 14.376 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.755 15.662 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.986 15.506 4.319 1.00 0.00 H new ATOM 232 N PHE A 15 2.813 18.951 0.982 1.00 0.00 N ATOM 233 CA PHE A 15 2.807 19.878 -0.180 1.00 0.00 C ATOM 234 C PHE A 15 2.536 21.319 0.260 1.00 0.00 C ATOM 235 O PHE A 15 2.908 22.260 -0.457 1.00 0.00 O ATOM 236 CB PHE A 15 1.735 19.479 -1.216 1.00 0.00 C ATOM 237 CG PHE A 15 1.972 18.120 -1.847 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.953 17.953 -2.811 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.227 17.012 -1.464 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.174 16.726 -3.372 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.451 15.787 -2.024 1.00 0.00 C ATOM 242 CZ PHE A 15 2.427 15.646 -2.974 1.00 0.00 C ATOM 0 H PHE A 15 1.944 18.432 1.109 1.00 0.00 H new ATOM 0 HA PHE A 15 3.796 19.811 -0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.758 19.480 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.703 20.234 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.548 18.799 -3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.459 17.121 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.936 16.607 -4.128 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.862 14.935 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.610 14.677 -3.414 1.00 0.00 H new ATOM 252 N ASP A 16 1.887 21.468 1.437 1.00 0.00 N ATOM 253 CA ASP A 16 1.423 22.759 1.962 1.00 0.00 C ATOM 254 C ASP A 16 0.428 23.386 0.955 1.00 0.00 C ATOM 255 O ASP A 16 0.765 24.330 0.224 1.00 0.00 O ATOM 256 CB ASP A 16 2.623 23.695 2.308 1.00 0.00 C ATOM 257 CG ASP A 16 2.201 24.990 3.018 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.059 24.982 4.263 1.00 0.00 O ATOM 259 OD2 ASP A 16 1.990 26.020 2.342 1.00 0.00 O ATOM 0 H ASP A 16 1.672 20.682 2.051 1.00 0.00 H new ATOM 0 HA ASP A 16 0.894 22.608 2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.325 23.154 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.153 23.949 1.390 1.00 0.00 H new ATOM 264 N ASP A 17 -0.772 22.773 0.863 1.00 0.00 N ATOM 265 CA ASP A 17 -1.819 23.182 -0.095 1.00 0.00 C ATOM 266 C ASP A 17 -3.187 22.622 0.347 1.00 0.00 C ATOM 267 O ASP A 17 -3.377 21.400 0.424 1.00 0.00 O ATOM 268 CB ASP A 17 -1.460 22.702 -1.529 1.00 0.00 C ATOM 269 CG ASP A 17 -2.446 23.200 -2.604 1.00 0.00 C ATOM 270 OD1 ASP A 17 -2.300 24.348 -3.073 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.370 22.454 -2.975 1.00 0.00 O ATOM 0 H ASP A 17 -1.040 21.983 1.450 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.880 24.270 -0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.456 23.046 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.436 21.612 -1.545 1.00 0.00 H new ATOM 276 N ASP A 18 -4.119 23.542 0.643 1.00 0.00 N ATOM 277 CA ASP A 18 -5.489 23.226 1.092 1.00 0.00 C ATOM 278 C ASP A 18 -6.385 22.726 -0.063 1.00 0.00 C ATOM 279 O ASP A 18 -7.390 22.057 0.180 1.00 0.00 O ATOM 280 CB ASP A 18 -6.106 24.480 1.771 1.00 0.00 C ATOM 281 CG ASP A 18 -7.533 24.254 2.308 1.00 0.00 C ATOM 282 OD1 ASP A 18 -7.690 23.513 3.303 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.505 24.805 1.740 1.00 0.00 O ATOM 0 H ASP A 18 -3.941 24.544 0.577 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.432 22.409 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.462 24.790 2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.123 25.300 1.053 1.00 0.00 H new ATOM 288 N SER A 19 -6.009 23.018 -1.319 1.00 0.00 N ATOM 289 CA SER A 19 -6.827 22.641 -2.498 1.00 0.00 C ATOM 290 C SER A 19 -6.709 21.134 -2.829 1.00 0.00 C ATOM 291 O SER A 19 -7.423 20.637 -3.707 1.00 0.00 O ATOM 292 CB SER A 19 -6.434 23.504 -3.720 1.00 0.00 C ATOM 293 OG SER A 19 -6.588 24.883 -3.432 1.00 0.00 O ATOM 0 H SER A 19 -5.147 23.512 -1.550 1.00 0.00 H new ATOM 0 HA SER A 19 -7.871 22.833 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.400 23.299 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.054 23.235 -4.575 1.00 0.00 H new ATOM 0 HG SER A 19 -6.333 25.412 -4.217 1.00 0.00 H new ATOM 299 N ILE A 20 -5.800 20.418 -2.128 1.00 0.00 N ATOM 300 CA ILE A 20 -5.651 18.957 -2.261 1.00 0.00 C ATOM 301 C ILE A 20 -6.820 18.240 -1.562 1.00 0.00 C ATOM 302 O ILE A 20 -6.911 18.217 -0.326 1.00 0.00 O ATOM 303 CB ILE A 20 -4.281 18.445 -1.677 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.101 19.171 -2.381 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.141 16.902 -1.819 1.00 0.00 C ATOM 306 CD1 ILE A 20 -1.729 18.811 -1.863 1.00 0.00 C ATOM 0 H ILE A 20 -5.154 20.837 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.662 18.724 -3.326 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.257 18.677 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.141 18.947 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.242 20.247 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.184 16.584 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.951 16.412 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.190 16.628 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.973 19.368 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.662 19.062 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.560 17.742 -1.994 1.00 0.00 H new ATOM 318 N VAL A 21 -7.724 17.696 -2.383 1.00 0.00 N ATOM 319 CA VAL A 21 -8.850 16.877 -1.946 1.00 0.00 C ATOM 320 C VAL A 21 -8.695 15.520 -2.648 1.00 0.00 C ATOM 321 O VAL A 21 -8.942 15.412 -3.856 1.00 0.00 O ATOM 322 CB VAL A 21 -10.234 17.536 -2.311 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.411 16.753 -1.681 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.275 19.029 -1.906 1.00 0.00 C ATOM 0 H VAL A 21 -7.688 17.819 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.844 16.772 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.344 17.487 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.352 17.232 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.406 15.728 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.305 16.747 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.244 19.452 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.123 19.118 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.487 19.570 -2.430 1.00 0.00 H new ATOM 334 N LEU A 22 -8.241 14.509 -1.895 1.00 0.00 N ATOM 335 CA LEU A 22 -7.863 13.201 -2.440 1.00 0.00 C ATOM 336 C LEU A 22 -9.050 12.463 -3.064 1.00 0.00 C ATOM 337 O LEU A 22 -10.116 12.331 -2.454 1.00 0.00 O ATOM 338 CB LEU A 22 -7.225 12.316 -1.344 1.00 0.00 C ATOM 339 CG LEU A 22 -5.895 12.850 -0.735 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.348 11.865 0.310 1.00 0.00 C ATOM 341 CD2 LEU A 22 -4.846 13.147 -1.836 1.00 0.00 C ATOM 0 H LEU A 22 -8.125 14.578 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.135 13.392 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.948 12.190 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.040 11.327 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.108 13.794 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.418 12.254 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.078 11.740 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.159 10.901 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.930 13.518 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.630 12.233 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.239 13.900 -2.519 1.00 0.00 H new ATOM 353 N THR A 23 -8.817 11.982 -4.282 1.00 0.00 N ATOM 354 CA THR A 23 -9.696 11.064 -5.002 1.00 0.00 C ATOM 355 C THR A 23 -8.882 9.790 -5.263 1.00 0.00 C ATOM 356 O THR A 23 -7.655 9.770 -5.046 1.00 0.00 O ATOM 357 CB THR A 23 -10.191 11.661 -6.364 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.067 11.903 -7.223 1.00 0.00 O ATOM 359 CG2 THR A 23 -10.993 12.963 -6.178 1.00 0.00 C ATOM 0 H THR A 23 -7.982 12.229 -4.814 1.00 0.00 H new ATOM 0 HA THR A 23 -10.587 10.869 -4.406 1.00 0.00 H new ATOM 0 HB THR A 23 -10.860 10.929 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.365 12.366 -6.720 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.313 13.336 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.869 12.766 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.366 13.710 -5.692 1.00 0.00 H new ATOM 367 N ARG A 24 -9.545 8.735 -5.737 1.00 0.00 N ATOM 368 CA ARG A 24 -8.866 7.494 -6.148 1.00 0.00 C ATOM 369 C ARG A 24 -7.976 7.723 -7.385 1.00 0.00 C ATOM 370 O ARG A 24 -7.063 6.941 -7.619 1.00 0.00 O ATOM 371 CB ARG A 24 -9.878 6.341 -6.428 1.00 0.00 C ATOM 372 CG ARG A 24 -10.571 5.728 -5.184 1.00 0.00 C ATOM 373 CD ARG A 24 -11.569 6.670 -4.486 1.00 0.00 C ATOM 374 NE ARG A 24 -12.294 5.995 -3.399 1.00 0.00 N ATOM 375 CZ ARG A 24 -13.350 6.493 -2.739 1.00 0.00 C ATOM 376 NH1 ARG A 24 -13.799 7.714 -2.985 1.00 0.00 N ATOM 377 NH2 ARG A 24 -13.938 5.760 -1.819 1.00 0.00 N ATOM 0 H ARG A 24 -10.559 8.710 -5.848 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.233 7.195 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.649 6.716 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.354 5.545 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.095 4.821 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.806 5.431 -4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.035 7.532 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.283 7.049 -5.218 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.966 5.069 -3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.340 8.294 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.604 8.074 -2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.590 4.823 -1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.742 6.128 -1.311 1.00 0.00 H new ATOM 391 N GLU A 25 -8.249 8.796 -8.162 1.00 0.00 N ATOM 392 CA GLU A 25 -7.515 9.105 -9.414 1.00 0.00 C ATOM 393 C GLU A 25 -6.466 10.222 -9.222 1.00 0.00 C ATOM 394 O GLU A 25 -5.745 10.549 -10.177 1.00 0.00 O ATOM 395 CB GLU A 25 -8.523 9.475 -10.539 1.00 0.00 C ATOM 396 CG GLU A 25 -9.414 10.695 -10.231 1.00 0.00 C ATOM 397 CD GLU A 25 -10.508 10.927 -11.283 1.00 0.00 C ATOM 398 OE1 GLU A 25 -11.544 10.229 -11.232 1.00 0.00 O ATOM 399 OE2 GLU A 25 -10.349 11.802 -12.160 1.00 0.00 O ATOM 0 H GLU A 25 -8.981 9.471 -7.941 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.964 8.210 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.967 9.671 -11.456 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.163 8.614 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.880 10.559 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.789 11.585 -10.164 1.00 0.00 H new ATOM 406 N THR A 26 -6.379 10.807 -8.006 1.00 0.00 N ATOM 407 CA THR A 26 -5.311 11.780 -7.673 1.00 0.00 C ATOM 408 C THR A 26 -3.931 11.105 -7.805 1.00 0.00 C ATOM 409 O THR A 26 -3.672 10.103 -7.162 1.00 0.00 O ATOM 410 CB THR A 26 -5.485 12.369 -6.230 1.00 0.00 C ATOM 411 OG1 THR A 26 -6.737 13.065 -6.134 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.342 13.331 -5.835 1.00 0.00 C ATOM 0 H THR A 26 -7.030 10.625 -7.243 1.00 0.00 H new ATOM 0 HA THR A 26 -5.385 12.609 -8.377 1.00 0.00 H new ATOM 0 HB THR A 26 -5.460 11.525 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.710 13.684 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.515 13.708 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.391 12.798 -5.865 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.312 14.167 -6.534 1.00 0.00 H new ATOM 420 N SER A 27 -3.081 11.640 -8.670 1.00 0.00 N ATOM 421 CA SER A 27 -1.770 11.063 -8.988 1.00 0.00 C ATOM 422 C SER A 27 -0.708 12.157 -9.050 1.00 0.00 C ATOM 423 O SER A 27 -1.021 13.354 -8.941 1.00 0.00 O ATOM 424 CB SER A 27 -1.862 10.337 -10.346 1.00 0.00 C ATOM 425 OG SER A 27 -2.182 11.239 -11.399 1.00 0.00 O ATOM 0 H SER A 27 -3.280 12.500 -9.181 1.00 0.00 H new ATOM 0 HA SER A 27 -1.486 10.356 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.913 9.846 -10.562 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.620 9.556 -10.292 1.00 0.00 H new ATOM 0 HG SER A 27 -2.231 10.749 -12.246 1.00 0.00 H new ATOM 431 N ALA A 28 0.546 11.735 -9.240 1.00 0.00 N ATOM 432 CA ALA A 28 1.681 12.630 -9.481 1.00 0.00 C ATOM 433 C ALA A 28 1.456 13.537 -10.716 1.00 0.00 C ATOM 434 O ALA A 28 1.950 14.666 -10.771 1.00 0.00 O ATOM 435 CB ALA A 28 2.924 11.771 -9.659 1.00 0.00 C ATOM 0 H ALA A 28 0.804 10.748 -9.230 1.00 0.00 H new ATOM 0 HA ALA A 28 1.798 13.300 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.787 12.412 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.092 11.183 -8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.785 11.101 -10.508 1.00 0.00 H new ATOM 441 N ASN A 29 0.693 13.013 -11.685 1.00 0.00 N ATOM 442 CA ASN A 29 0.309 13.725 -12.922 1.00 0.00 C ATOM 443 C ASN A 29 -0.757 14.811 -12.635 1.00 0.00 C ATOM 444 O ASN A 29 -0.753 15.884 -13.246 1.00 0.00 O ATOM 445 CB ASN A 29 -0.240 12.681 -13.941 1.00 0.00 C ATOM 446 CG ASN A 29 -0.782 13.288 -15.245 1.00 0.00 C ATOM 447 OD1 ASN A 29 -0.039 13.502 -16.203 1.00 0.00 O ATOM 448 ND2 ASN A 29 -2.080 13.559 -15.292 1.00 0.00 N ATOM 0 H ASN A 29 0.316 12.066 -11.635 1.00 0.00 H new ATOM 0 HA ASN A 29 1.183 14.229 -13.335 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.556 11.978 -14.186 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.035 12.109 -13.463 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.488 13.956 -16.139 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.670 13.370 -14.482 1.00 0.00 H new ATOM 455 N ASP A 30 -1.655 14.496 -11.683 1.00 0.00 N ATOM 456 CA ASP A 30 -2.878 15.276 -11.389 1.00 0.00 C ATOM 457 C ASP A 30 -2.595 16.599 -10.627 1.00 0.00 C ATOM 458 O ASP A 30 -3.415 17.524 -10.653 1.00 0.00 O ATOM 459 CB ASP A 30 -3.839 14.366 -10.586 1.00 0.00 C ATOM 460 CG ASP A 30 -5.203 14.995 -10.293 1.00 0.00 C ATOM 461 OD1 ASP A 30 -5.937 15.311 -11.256 1.00 0.00 O ATOM 462 OD2 ASP A 30 -5.552 15.173 -9.100 1.00 0.00 O ATOM 0 H ASP A 30 -1.551 13.677 -11.084 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.329 15.582 -12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.991 13.439 -11.139 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.364 14.099 -9.642 1.00 0.00 H new ATOM 467 N ILE A 31 -1.430 16.691 -9.968 1.00 0.00 N ATOM 468 CA ILE A 31 -1.025 17.888 -9.197 1.00 0.00 C ATOM 469 C ILE A 31 0.285 18.428 -9.800 1.00 0.00 C ATOM 470 O ILE A 31 1.272 17.696 -9.886 1.00 0.00 O ATOM 471 CB ILE A 31 -0.857 17.561 -7.655 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.230 17.127 -7.026 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.241 18.749 -6.875 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.212 16.842 -5.525 1.00 0.00 C ATOM 0 H ILE A 31 -0.739 15.941 -9.951 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.805 18.646 -9.266 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.160 16.727 -7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.961 17.912 -7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.579 16.233 -7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.144 18.482 -5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.743 18.981 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.888 19.621 -6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.210 16.552 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.512 16.033 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.901 17.738 -4.988 1.00 0.00 H new ATOM 486 N ASP A 32 0.268 19.702 -10.253 1.00 0.00 N ATOM 487 CA ASP A 32 1.424 20.366 -10.894 1.00 0.00 C ATOM 488 C ASP A 32 2.558 20.625 -9.881 1.00 0.00 C ATOM 489 O ASP A 32 3.742 20.532 -10.222 1.00 0.00 O ATOM 490 CB ASP A 32 0.959 21.692 -11.561 1.00 0.00 C ATOM 491 CG ASP A 32 2.053 22.355 -12.417 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.219 21.963 -13.588 1.00 0.00 O ATOM 493 OD2 ASP A 32 2.747 23.273 -11.926 1.00 0.00 O ATOM 0 H ASP A 32 -0.554 20.302 -10.183 1.00 0.00 H new ATOM 0 HA ASP A 32 1.824 19.703 -11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.089 21.491 -12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.641 22.389 -10.786 1.00 0.00 H new ATOM 498 N ALA A 33 2.187 20.931 -8.627 1.00 0.00 N ATOM 499 CA ALA A 33 3.160 21.143 -7.535 1.00 0.00 C ATOM 500 C ALA A 33 3.671 19.809 -6.943 1.00 0.00 C ATOM 501 O ALA A 33 4.333 19.804 -5.898 1.00 0.00 O ATOM 502 CB ALA A 33 2.537 22.030 -6.442 1.00 0.00 C ATOM 0 H ALA A 33 1.214 21.038 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 33 4.028 21.652 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.260 22.182 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.261 22.994 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.648 21.543 -6.041 1.00 0.00 H new ATOM 508 N TRP A 34 3.349 18.672 -7.595 1.00 0.00 N ATOM 509 CA TRP A 34 3.855 17.350 -7.206 1.00 0.00 C ATOM 510 C TRP A 34 5.093 17.006 -8.075 1.00 0.00 C ATOM 511 O TRP A 34 4.999 16.960 -9.305 1.00 0.00 O ATOM 512 CB TRP A 34 2.724 16.290 -7.415 1.00 0.00 C ATOM 513 CG TRP A 34 2.811 15.057 -6.547 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.933 14.463 -6.046 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.707 14.261 -6.089 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.590 13.380 -5.279 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.232 13.228 -5.307 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.328 14.337 -6.256 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.432 12.268 -4.700 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.470 13.385 -5.660 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.085 12.369 -4.886 1.00 0.00 C ATOM 0 H TRP A 34 2.730 18.651 -8.406 1.00 0.00 H new ATOM 0 HA TRP A 34 4.150 17.349 -6.157 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.763 16.771 -7.235 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.733 15.978 -8.459 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.944 14.797 -6.227 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.243 12.784 -4.770 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.110 15.130 -6.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.859 11.474 -4.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.541 13.427 -5.795 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.567 11.644 -4.422 1.00 0.00 H new ATOM 532 N ASP A 35 6.238 16.761 -7.421 1.00 0.00 N ATOM 533 CA ASP A 35 7.495 16.288 -8.065 1.00 0.00 C ATOM 534 C ASP A 35 7.912 14.969 -7.413 1.00 0.00 C ATOM 535 O ASP A 35 7.374 14.607 -6.361 1.00 0.00 O ATOM 536 CB ASP A 35 8.624 17.355 -7.939 1.00 0.00 C ATOM 537 CG ASP A 35 8.461 18.495 -8.956 1.00 0.00 C ATOM 538 OD1 ASP A 35 7.726 19.468 -8.673 1.00 0.00 O ATOM 539 OD2 ASP A 35 9.059 18.414 -10.056 1.00 0.00 O ATOM 0 H ASP A 35 6.329 16.885 -6.413 1.00 0.00 H new ATOM 0 HA ASP A 35 7.321 16.130 -9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.621 17.767 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.592 16.876 -8.085 1.00 0.00 H new ATOM 544 N SER A 36 8.863 14.245 -8.046 1.00 0.00 N ATOM 545 CA SER A 36 9.364 12.944 -7.539 1.00 0.00 C ATOM 546 C SER A 36 10.072 13.142 -6.175 1.00 0.00 C ATOM 547 O SER A 36 10.044 12.260 -5.307 1.00 0.00 O ATOM 548 CB SER A 36 10.313 12.246 -8.584 1.00 0.00 C ATOM 549 OG SER A 36 10.345 12.892 -9.910 1.00 0.00 O ATOM 0 H SER A 36 9.303 14.542 -8.917 1.00 0.00 H new ATOM 0 HA SER A 36 8.512 12.281 -7.391 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.325 12.226 -8.180 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.998 11.210 -8.706 1.00 0.00 H new ATOM 0 HG SER A 36 10.956 12.401 -10.498 1.00 0.00 H new ATOM 554 N LEU A 37 10.688 14.334 -6.017 1.00 0.00 N ATOM 555 CA LEU A 37 11.268 14.794 -4.735 1.00 0.00 C ATOM 556 C LEU A 37 10.180 14.860 -3.640 1.00 0.00 C ATOM 557 O LEU A 37 10.402 14.417 -2.508 1.00 0.00 O ATOM 558 CB LEU A 37 11.954 16.196 -4.875 1.00 0.00 C ATOM 559 CG LEU A 37 13.316 16.266 -5.651 1.00 0.00 C ATOM 560 CD1 LEU A 37 14.357 15.288 -5.069 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.132 16.057 -7.162 1.00 0.00 C ATOM 0 H LEU A 37 10.797 15.006 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 37 12.030 14.069 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.251 16.866 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.118 16.591 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 37 13.704 17.275 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.286 15.367 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.545 15.536 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.977 14.269 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.101 16.114 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.689 15.078 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.475 16.831 -7.559 1.00 0.00 H new ATOM 573 N SER A 38 9.000 15.382 -4.021 1.00 0.00 N ATOM 574 CA SER A 38 7.852 15.557 -3.111 1.00 0.00 C ATOM 575 C SER A 38 7.344 14.195 -2.609 1.00 0.00 C ATOM 576 O SER A 38 6.977 14.065 -1.441 1.00 0.00 O ATOM 577 CB SER A 38 6.724 16.328 -3.827 1.00 0.00 C ATOM 578 OG SER A 38 7.227 17.498 -4.450 1.00 0.00 O ATOM 0 H SER A 38 8.815 15.696 -4.974 1.00 0.00 H new ATOM 0 HA SER A 38 8.177 16.135 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.256 15.686 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.950 16.598 -3.109 1.00 0.00 H new ATOM 0 HG SER A 38 6.479 18.050 -4.760 1.00 0.00 H new ATOM 584 N HIS A 39 7.361 13.185 -3.511 1.00 0.00 N ATOM 585 CA HIS A 39 6.993 11.790 -3.176 1.00 0.00 C ATOM 586 C HIS A 39 7.831 11.238 -2.031 1.00 0.00 C ATOM 587 O HIS A 39 7.294 10.623 -1.133 1.00 0.00 O ATOM 588 CB HIS A 39 7.135 10.843 -4.387 1.00 0.00 C ATOM 589 CG HIS A 39 6.066 11.027 -5.406 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.881 10.352 -5.310 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.061 11.767 -6.518 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.192 10.686 -6.366 1.00 0.00 C ATOM 593 NE2 HIS A 39 4.869 11.549 -7.137 1.00 0.00 N ATOM 0 H HIS A 39 7.629 13.314 -4.487 1.00 0.00 H new ATOM 0 HA HIS A 39 5.947 11.830 -2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.106 11.006 -4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.120 9.811 -4.036 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.594 9.717 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.853 12.416 -6.861 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.203 10.315 -6.591 1.00 0.00 H new ATOM 601 N MET A 40 9.147 11.472 -2.060 1.00 0.00 N ATOM 602 CA MET A 40 10.051 10.943 -1.020 1.00 0.00 C ATOM 603 C MET A 40 9.693 11.491 0.371 1.00 0.00 C ATOM 604 O MET A 40 9.844 10.792 1.379 1.00 0.00 O ATOM 605 CB MET A 40 11.524 11.218 -1.389 1.00 0.00 C ATOM 606 CG MET A 40 11.980 10.491 -2.665 1.00 0.00 C ATOM 607 SD MET A 40 11.564 8.720 -2.657 1.00 0.00 S ATOM 608 CE MET A 40 12.304 8.138 -1.123 1.00 0.00 C ATOM 0 H MET A 40 9.612 12.019 -2.784 1.00 0.00 H new ATOM 0 HA MET A 40 9.919 9.862 -0.973 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.663 12.291 -1.522 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.162 10.914 -0.559 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.518 10.964 -3.532 1.00 0.00 H new ATOM 0 HG3 MET A 40 13.058 10.605 -2.777 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.208 7.054 -1.061 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.359 8.411 -1.101 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.793 8.596 -0.276 1.00 0.00 H new ATOM 618 N ASN A 41 9.143 12.721 0.395 1.00 0.00 N ATOM 619 CA ASN A 41 8.614 13.347 1.621 1.00 0.00 C ATOM 620 C ASN A 41 7.267 12.704 2.032 1.00 0.00 C ATOM 621 O ASN A 41 6.987 12.576 3.226 1.00 0.00 O ATOM 622 CB ASN A 41 8.456 14.875 1.440 1.00 0.00 C ATOM 623 CG ASN A 41 9.777 15.590 1.145 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.509 15.965 2.061 1.00 0.00 O ATOM 625 ND2 ASN A 41 10.082 15.808 -0.125 1.00 0.00 N ATOM 0 H ASN A 41 9.053 13.307 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 41 9.333 13.173 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.757 15.067 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.016 15.297 2.344 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.943 16.299 -0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.456 15.485 -0.863 1.00 0.00 H new ATOM 632 N LEU A 42 6.454 12.280 1.030 1.00 0.00 N ATOM 633 CA LEU A 42 5.186 11.529 1.268 1.00 0.00 C ATOM 634 C LEU A 42 5.487 10.218 1.988 1.00 0.00 C ATOM 635 O LEU A 42 4.980 9.994 3.081 1.00 0.00 O ATOM 636 CB LEU A 42 4.417 11.228 -0.075 1.00 0.00 C ATOM 637 CG LEU A 42 3.355 12.269 -0.526 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.108 12.214 0.370 1.00 0.00 C ATOM 639 CD2 LEU A 42 3.950 13.671 -0.550 1.00 0.00 C ATOM 0 H LEU A 42 6.653 12.445 0.043 1.00 0.00 H new ATOM 0 HA LEU A 42 4.545 12.157 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.153 11.128 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.923 10.262 0.026 1.00 0.00 H new ATOM 0 HG LEU A 42 3.045 12.015 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.383 12.953 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.665 11.220 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.391 12.430 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.189 14.384 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.299 13.935 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.788 13.699 -1.247 1.00 0.00 H new ATOM 651 N ILE A 43 6.367 9.402 1.366 1.00 0.00 N ATOM 652 CA ILE A 43 6.714 8.055 1.843 1.00 0.00 C ATOM 653 C ILE A 43 7.176 8.117 3.306 1.00 0.00 C ATOM 654 O ILE A 43 6.544 7.506 4.151 1.00 0.00 O ATOM 655 CB ILE A 43 7.803 7.355 0.916 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.168 6.749 -0.391 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.599 6.254 1.665 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.484 7.728 -1.323 1.00 0.00 C ATOM 0 H ILE A 43 6.858 9.667 0.512 1.00 0.00 H new ATOM 0 HA ILE A 43 5.818 7.437 1.788 1.00 0.00 H new ATOM 0 HB ILE A 43 8.497 8.146 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.954 6.239 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.441 5.991 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.328 5.808 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.117 6.695 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.912 5.484 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.087 7.193 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.668 8.223 -0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.204 8.474 -1.659 1.00 0.00 H new ATOM 670 N VAL A 44 8.214 8.929 3.599 1.00 0.00 N ATOM 671 CA VAL A 44 8.801 8.998 4.953 1.00 0.00 C ATOM 672 C VAL A 44 7.767 9.447 6.017 1.00 0.00 C ATOM 673 O VAL A 44 7.819 8.989 7.160 1.00 0.00 O ATOM 674 CB VAL A 44 10.075 9.915 5.002 1.00 0.00 C ATOM 675 CG1 VAL A 44 11.187 9.376 4.062 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.735 11.394 4.684 1.00 0.00 C ATOM 0 H VAL A 44 8.661 9.543 2.919 1.00 0.00 H new ATOM 0 HA VAL A 44 9.112 7.982 5.197 1.00 0.00 H new ATOM 0 HB VAL A 44 10.456 9.887 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.057 10.030 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.469 8.370 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.816 9.349 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.644 11.994 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.304 11.462 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.017 11.768 5.415 1.00 0.00 H new ATOM 686 N SER A 45 6.816 10.316 5.608 1.00 0.00 N ATOM 687 CA SER A 45 5.695 10.746 6.472 1.00 0.00 C ATOM 688 C SER A 45 4.704 9.584 6.718 1.00 0.00 C ATOM 689 O SER A 45 4.223 9.408 7.833 1.00 0.00 O ATOM 690 CB SER A 45 4.969 11.963 5.857 1.00 0.00 C ATOM 691 OG SER A 45 5.831 13.085 5.781 1.00 0.00 O ATOM 0 H SER A 45 6.804 10.735 4.678 1.00 0.00 H new ATOM 0 HA SER A 45 6.108 11.043 7.436 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.608 11.710 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.095 12.212 6.459 1.00 0.00 H new ATOM 0 HG SER A 45 6.335 13.054 4.941 1.00 0.00 H new ATOM 697 N LEU A 46 4.429 8.777 5.682 1.00 0.00 N ATOM 698 CA LEU A 46 3.511 7.618 5.789 1.00 0.00 C ATOM 699 C LEU A 46 4.129 6.522 6.692 1.00 0.00 C ATOM 700 O LEU A 46 3.430 5.880 7.484 1.00 0.00 O ATOM 701 CB LEU A 46 3.187 7.039 4.378 1.00 0.00 C ATOM 702 CG LEU A 46 2.543 8.029 3.345 1.00 0.00 C ATOM 703 CD1 LEU A 46 2.285 7.347 1.984 1.00 0.00 C ATOM 704 CD2 LEU A 46 1.260 8.677 3.902 1.00 0.00 C ATOM 0 H LEU A 46 4.829 8.902 4.752 1.00 0.00 H new ATOM 0 HA LEU A 46 2.580 7.959 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.111 6.651 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.513 6.191 4.504 1.00 0.00 H new ATOM 0 HG LEU A 46 3.265 8.828 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.839 8.065 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.228 6.988 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.606 6.506 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.843 9.356 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.531 7.900 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.498 9.234 4.809 1.00 0.00 H new ATOM 716 N GLU A 47 5.462 6.372 6.584 1.00 0.00 N ATOM 717 CA GLU A 47 6.237 5.343 7.300 1.00 0.00 C ATOM 718 C GLU A 47 6.316 5.625 8.797 1.00 0.00 C ATOM 719 O GLU A 47 6.337 4.695 9.588 1.00 0.00 O ATOM 720 CB GLU A 47 7.669 5.252 6.711 1.00 0.00 C ATOM 721 CG GLU A 47 7.722 4.874 5.216 1.00 0.00 C ATOM 722 CD GLU A 47 7.290 3.434 4.908 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.081 3.136 4.947 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.171 2.587 4.623 1.00 0.00 O ATOM 0 H GLU A 47 6.037 6.969 5.990 1.00 0.00 H new ATOM 0 HA GLU A 47 5.719 4.393 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.166 6.212 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.236 4.515 7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.083 5.559 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.739 5.020 4.853 1.00 0.00 H new ATOM 731 N VAL A 48 6.453 6.907 9.178 1.00 0.00 N ATOM 732 CA VAL A 48 6.514 7.292 10.599 1.00 0.00 C ATOM 733 C VAL A 48 5.110 7.473 11.237 1.00 0.00 C ATOM 734 O VAL A 48 4.861 6.941 12.326 1.00 0.00 O ATOM 735 CB VAL A 48 7.415 8.562 10.820 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.868 8.284 10.365 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.856 9.831 10.125 1.00 0.00 C ATOM 0 H VAL A 48 6.523 7.689 8.527 1.00 0.00 H new ATOM 0 HA VAL A 48 6.984 6.457 11.119 1.00 0.00 H new ATOM 0 HB VAL A 48 7.408 8.767 11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.476 9.174 10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.278 7.455 10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.875 8.026 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.522 10.673 10.315 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.787 9.657 9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.865 10.056 10.520 1.00 0.00 H new ATOM 747 N HIS A 49 4.195 8.201 10.556 1.00 0.00 N ATOM 748 CA HIS A 49 2.854 8.540 11.113 1.00 0.00 C ATOM 749 C HIS A 49 1.983 7.283 11.294 1.00 0.00 C ATOM 750 O HIS A 49 1.325 7.114 12.327 1.00 0.00 O ATOM 751 CB HIS A 49 2.113 9.595 10.231 1.00 0.00 C ATOM 752 CG HIS A 49 2.634 11.010 10.368 1.00 0.00 C ATOM 753 ND1 HIS A 49 2.019 11.953 11.158 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.695 11.639 9.807 1.00 0.00 C ATOM 755 CE1 HIS A 49 2.671 13.095 11.069 1.00 0.00 C ATOM 756 NE2 HIS A 49 3.695 12.931 10.256 1.00 0.00 N ATOM 0 H HIS A 49 4.356 8.568 9.618 1.00 0.00 H new ATOM 0 HA HIS A 49 3.022 8.981 12.096 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.189 9.293 9.186 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.054 9.585 10.489 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.411 11.200 9.128 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.410 14.011 11.577 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.375 13.648 10.003 1.00 0.00 H new ATOM 765 N TYR A 50 1.982 6.407 10.279 1.00 0.00 N ATOM 766 CA TYR A 50 1.218 5.143 10.313 1.00 0.00 C ATOM 767 C TYR A 50 2.081 3.986 10.825 1.00 0.00 C ATOM 768 O TYR A 50 1.559 2.890 11.003 1.00 0.00 O ATOM 769 CB TYR A 50 0.675 4.794 8.905 1.00 0.00 C ATOM 770 CG TYR A 50 -0.221 5.871 8.304 1.00 0.00 C ATOM 771 CD1 TYR A 50 0.329 6.956 7.626 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.611 5.815 8.430 1.00 0.00 C ATOM 773 CE1 TYR A 50 -0.464 7.936 7.097 1.00 0.00 C ATOM 774 CE2 TYR A 50 -2.407 6.798 7.900 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.825 7.853 7.234 1.00 0.00 C ATOM 776 OH TYR A 50 -2.610 8.839 6.722 1.00 0.00 O ATOM 0 H TYR A 50 2.506 6.549 9.415 1.00 0.00 H new ATOM 0 HA TYR A 50 0.382 5.286 10.998 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.517 4.620 8.235 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.115 3.860 8.963 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.401 7.024 7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.065 4.986 8.952 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.021 8.771 6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.481 6.745 8.004 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.480 9.662 7.239 1.00 0.00 H new ATOM 786 N LYS A 51 3.403 4.252 11.045 1.00 0.00 N ATOM 787 CA LYS A 51 4.436 3.243 11.435 1.00 0.00 C ATOM 788 C LYS A 51 4.314 1.922 10.637 1.00 0.00 C ATOM 789 O LYS A 51 4.493 0.822 11.166 1.00 0.00 O ATOM 790 CB LYS A 51 4.598 3.068 13.003 1.00 0.00 C ATOM 791 CG LYS A 51 3.311 3.069 13.858 1.00 0.00 C ATOM 792 CD LYS A 51 2.486 1.765 13.771 1.00 0.00 C ATOM 793 CE LYS A 51 1.151 1.878 14.524 1.00 0.00 C ATOM 794 NZ LYS A 51 0.356 0.632 14.425 1.00 0.00 N ATOM 0 H LYS A 51 3.788 5.192 10.954 1.00 0.00 H new ATOM 0 HA LYS A 51 5.396 3.659 11.129 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.121 2.129 13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.243 3.868 13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.581 3.245 14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.683 3.904 13.546 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.293 1.527 12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.067 0.940 14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.343 2.104 15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.575 2.710 14.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.422 0.661 15.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.035 0.545 13.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.966 -0.186 14.626 1.00 0.00 H new ATOM 808 N ILE A 52 4.057 2.092 9.318 1.00 0.00 N ATOM 809 CA ILE A 52 3.915 0.994 8.341 1.00 0.00 C ATOM 810 C ILE A 52 5.192 0.914 7.485 1.00 0.00 C ATOM 811 O ILE A 52 6.172 1.615 7.779 1.00 0.00 O ATOM 812 CB ILE A 52 2.629 1.157 7.436 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.647 2.511 6.650 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.337 1.003 8.283 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.421 2.759 5.777 1.00 0.00 C ATOM 0 H ILE A 52 3.941 3.015 8.899 1.00 0.00 H new ATOM 0 HA ILE A 52 3.783 0.061 8.889 1.00 0.00 H new ATOM 0 HB ILE A 52 2.638 0.359 6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.738 3.329 7.365 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.536 2.538 6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.464 1.119 7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.320 0.015 8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.319 1.767 9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.522 3.720 5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.337 1.966 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.527 2.769 6.400 1.00 0.00 H new ATOM 827 N LYS A 53 5.197 0.051 6.456 1.00 0.00 N ATOM 828 CA LYS A 53 6.379 -0.162 5.608 1.00 0.00 C ATOM 829 C LYS A 53 5.951 -0.407 4.150 1.00 0.00 C ATOM 830 O LYS A 53 5.417 -1.470 3.834 1.00 0.00 O ATOM 831 CB LYS A 53 7.234 -1.340 6.191 1.00 0.00 C ATOM 832 CG LYS A 53 8.630 -1.558 5.530 1.00 0.00 C ATOM 833 CD LYS A 53 8.591 -2.418 4.238 1.00 0.00 C ATOM 834 CE LYS A 53 9.945 -2.501 3.527 1.00 0.00 C ATOM 835 NZ LYS A 53 9.861 -3.335 2.302 1.00 0.00 N ATOM 0 H LYS A 53 4.390 -0.513 6.191 1.00 0.00 H new ATOM 0 HA LYS A 53 7.005 0.731 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.381 -1.164 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.660 -2.262 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.064 -0.586 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.292 -2.036 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.258 -3.425 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.853 -2.000 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.282 -1.498 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.689 -2.920 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.368 -2.864 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.292 -4.264 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.864 -3.463 2.037 1.00 0.00 H new ATOM 849 N PHE A 54 6.169 0.602 3.287 1.00 0.00 N ATOM 850 CA PHE A 54 6.136 0.451 1.819 1.00 0.00 C ATOM 851 C PHE A 54 7.538 0.044 1.333 1.00 0.00 C ATOM 852 O PHE A 54 8.543 0.298 2.005 1.00 0.00 O ATOM 853 CB PHE A 54 5.744 1.777 1.096 1.00 0.00 C ATOM 854 CG PHE A 54 4.341 2.313 1.378 1.00 0.00 C ATOM 855 CD1 PHE A 54 4.120 3.193 2.432 1.00 0.00 C ATOM 856 CD2 PHE A 54 3.253 1.979 0.563 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.868 3.705 2.679 1.00 0.00 C ATOM 858 CE2 PHE A 54 1.998 2.494 0.819 1.00 0.00 C ATOM 859 CZ PHE A 54 1.808 3.361 1.873 1.00 0.00 C ATOM 0 H PHE A 54 6.375 1.554 3.591 1.00 0.00 H new ATOM 0 HA PHE A 54 5.387 -0.304 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.466 2.545 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.842 1.622 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.945 3.479 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.397 1.312 -0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.716 4.380 3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.163 2.217 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.827 3.770 2.066 1.00 0.00 H new ATOM 869 N ALA A 55 7.582 -0.602 0.175 1.00 0.00 N ATOM 870 CA ALA A 55 8.803 -0.808 -0.612 1.00 0.00 C ATOM 871 C ALA A 55 8.679 0.032 -1.888 1.00 0.00 C ATOM 872 O ALA A 55 7.570 0.195 -2.391 1.00 0.00 O ATOM 873 CB ALA A 55 8.957 -2.297 -0.950 1.00 0.00 C ATOM 0 H ALA A 55 6.753 -1.009 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 55 9.686 -0.502 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.865 -2.445 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.021 -2.875 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.095 -2.630 -1.528 1.00 0.00 H new ATOM 879 N LEU A 56 9.805 0.543 -2.424 1.00 0.00 N ATOM 880 CA LEU A 56 9.804 1.380 -3.658 1.00 0.00 C ATOM 881 C LEU A 56 9.292 0.539 -4.858 1.00 0.00 C ATOM 882 O LEU A 56 8.720 1.081 -5.803 1.00 0.00 O ATOM 883 CB LEU A 56 11.234 1.976 -3.912 1.00 0.00 C ATOM 884 CG LEU A 56 11.355 3.300 -4.767 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.084 3.084 -6.272 1.00 0.00 C ATOM 886 CD2 LEU A 56 10.463 4.425 -4.186 1.00 0.00 C ATOM 0 H LEU A 56 10.733 0.395 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 56 9.126 2.224 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.692 2.165 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.832 1.208 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 56 12.396 3.616 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.184 4.033 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.803 2.369 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.074 2.698 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.567 5.323 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.422 4.103 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.771 4.642 -3.163 1.00 0.00 H new ATOM 898 N GLY A 57 9.480 -0.796 -4.776 1.00 0.00 N ATOM 899 CA GLY A 57 8.883 -1.742 -5.724 1.00 0.00 C ATOM 900 C GLY A 57 7.358 -1.641 -5.750 1.00 0.00 C ATOM 901 O GLY A 57 6.753 -1.609 -6.828 1.00 0.00 O ATOM 0 H GLY A 57 10.047 -1.239 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.276 -1.551 -6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.175 -2.757 -5.455 1.00 0.00 H new ATOM 905 N GLU A 58 6.755 -1.552 -4.539 1.00 0.00 N ATOM 906 CA GLU A 58 5.302 -1.323 -4.364 1.00 0.00 C ATOM 907 C GLU A 58 4.910 0.065 -4.908 1.00 0.00 C ATOM 908 O GLU A 58 3.863 0.196 -5.540 1.00 0.00 O ATOM 909 CB GLU A 58 4.870 -1.431 -2.872 1.00 0.00 C ATOM 910 CG GLU A 58 5.157 -2.791 -2.212 1.00 0.00 C ATOM 911 CD GLU A 58 4.644 -2.867 -0.760 1.00 0.00 C ATOM 912 OE1 GLU A 58 3.482 -3.263 -0.547 1.00 0.00 O ATOM 913 OE2 GLU A 58 5.385 -2.508 0.175 1.00 0.00 O ATOM 0 H GLU A 58 7.263 -1.637 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 58 4.785 -2.102 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.380 -0.653 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.801 -1.228 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.690 -3.581 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.231 -2.977 -2.224 1.00 0.00 H new ATOM 920 N LEU A 59 5.778 1.082 -4.678 1.00 0.00 N ATOM 921 CA LEU A 59 5.564 2.466 -5.171 1.00 0.00 C ATOM 922 C LEU A 59 5.416 2.499 -6.699 1.00 0.00 C ATOM 923 O LEU A 59 4.531 3.170 -7.213 1.00 0.00 O ATOM 924 CB LEU A 59 6.711 3.436 -4.714 1.00 0.00 C ATOM 925 CG LEU A 59 6.541 4.120 -3.322 1.00 0.00 C ATOM 926 CD1 LEU A 59 5.260 4.961 -3.289 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.559 3.113 -2.163 1.00 0.00 C ATOM 0 H LEU A 59 6.642 0.967 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 59 4.633 2.816 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.646 2.876 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.815 4.218 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 59 7.401 4.776 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.158 5.430 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.311 5.732 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.399 4.319 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.437 3.643 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.743 2.401 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.509 2.579 -2.159 1.00 0.00 H new ATOM 939 N GLN A 60 6.261 1.733 -7.403 1.00 0.00 N ATOM 940 CA GLN A 60 6.213 1.632 -8.876 1.00 0.00 C ATOM 941 C GLN A 60 4.926 0.925 -9.349 1.00 0.00 C ATOM 942 O GLN A 60 4.473 1.143 -10.475 1.00 0.00 O ATOM 943 CB GLN A 60 7.479 0.903 -9.401 1.00 0.00 C ATOM 944 CG GLN A 60 8.820 1.612 -9.076 1.00 0.00 C ATOM 945 CD GLN A 60 9.072 2.922 -9.851 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.149 3.633 -10.247 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.337 3.257 -10.056 1.00 0.00 N ATOM 0 H GLN A 60 6.994 1.168 -6.975 1.00 0.00 H new ATOM 0 HA GLN A 60 6.197 2.640 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.504 -0.102 -8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.395 0.793 -10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.849 1.828 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.638 0.922 -9.284 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.086 2.652 -9.719 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.562 4.120 -10.551 1.00 0.00 H new ATOM 956 N LYS A 61 4.334 0.092 -8.466 1.00 0.00 N ATOM 957 CA LYS A 61 3.054 -0.600 -8.737 1.00 0.00 C ATOM 958 C LYS A 61 1.852 0.324 -8.465 1.00 0.00 C ATOM 959 O LYS A 61 0.721 -0.009 -8.833 1.00 0.00 O ATOM 960 CB LYS A 61 2.923 -1.894 -7.883 1.00 0.00 C ATOM 961 CG LYS A 61 4.088 -2.892 -8.033 1.00 0.00 C ATOM 962 CD LYS A 61 4.456 -3.198 -9.505 1.00 0.00 C ATOM 963 CE LYS A 61 5.566 -4.252 -9.619 1.00 0.00 C ATOM 964 NZ LYS A 61 6.746 -3.920 -8.771 1.00 0.00 N ATOM 0 H LYS A 61 4.727 -0.119 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 61 3.054 -0.874 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.838 -1.612 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.995 -2.398 -8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.965 -2.493 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.824 -3.823 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.570 -3.548 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.778 -2.279 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.172 -5.225 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.880 -4.335 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.620 -4.116 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.716 -2.913 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.727 -4.499 -7.907 1.00 0.00 H new ATOM 978 N LEU A 62 2.096 1.468 -7.794 1.00 0.00 N ATOM 979 CA LEU A 62 1.059 2.486 -7.550 1.00 0.00 C ATOM 980 C LEU A 62 0.963 3.395 -8.781 1.00 0.00 C ATOM 981 O LEU A 62 1.961 3.640 -9.445 1.00 0.00 O ATOM 982 CB LEU A 62 1.372 3.347 -6.284 1.00 0.00 C ATOM 983 CG LEU A 62 1.807 2.576 -4.989 1.00 0.00 C ATOM 984 CD1 LEU A 62 1.899 3.513 -3.768 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.908 1.363 -4.689 1.00 0.00 C ATOM 0 H LEU A 62 3.010 1.709 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 62 0.112 1.976 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.163 4.052 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.486 3.935 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 62 2.806 2.188 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.203 2.940 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.633 4.294 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.926 3.968 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.256 0.868 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.120 1.698 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.951 0.663 -5.524 1.00 0.00 H new ATOM 997 N LYS A 63 -0.243 3.846 -9.104 1.00 0.00 N ATOM 998 CA LYS A 63 -0.484 4.828 -10.180 1.00 0.00 C ATOM 999 C LYS A 63 -1.114 6.100 -9.599 1.00 0.00 C ATOM 1000 O LYS A 63 -0.837 7.215 -10.058 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.408 4.201 -11.253 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.749 5.122 -12.442 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.711 4.455 -13.449 1.00 0.00 C ATOM 1004 CE LYS A 63 -3.029 5.358 -14.652 1.00 0.00 C ATOM 1005 NZ LYS A 63 -4.001 4.723 -15.581 1.00 0.00 N ATOM 0 H LYS A 63 -1.094 3.545 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 63 0.464 5.098 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.932 3.299 -11.637 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.337 3.892 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.200 6.041 -12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.829 5.404 -12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.270 3.524 -13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.639 4.194 -12.940 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.432 6.306 -14.297 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.108 5.584 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.189 5.364 -16.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.606 3.830 -15.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.889 4.530 -15.075 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.954 5.912 -8.567 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.779 6.980 -7.978 1.00 0.00 C ATOM 1021 C ASN A 64 -3.083 6.694 -6.485 1.00 0.00 C ATOM 1022 O ASN A 64 -2.677 5.656 -5.957 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.063 7.181 -8.850 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.809 5.888 -9.258 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.959 4.931 -8.353 1.00 0.00 O flip ATOM 1026 ND2 ASN A 64 -5.286 5.772 -10.384 1.00 0.00 N flip ATOM 0 H ASN A 64 -2.080 5.007 -8.114 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.229 7.921 -7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.755 7.820 -8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.783 7.718 -9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.162 6.517 -11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.806 4.931 -10.633 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.801 7.628 -5.817 1.00 0.00 N ATOM 1034 CA VAL A 65 -4.113 7.562 -4.364 1.00 0.00 C ATOM 1035 C VAL A 65 -5.178 6.470 -4.068 1.00 0.00 C ATOM 1036 O VAL A 65 -5.397 6.101 -2.914 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.540 8.991 -3.812 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.960 8.972 -2.316 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.395 10.019 -4.019 1.00 0.00 C ATOM 0 H VAL A 65 -4.184 8.456 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.209 7.270 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.417 9.288 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.239 9.978 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.810 8.303 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.126 8.622 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.705 10.991 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.505 9.685 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.170 10.104 -5.082 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.796 5.920 -5.129 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.629 4.718 -5.006 1.00 0.00 C ATOM 1051 C GLY A 66 -5.805 3.501 -4.590 1.00 0.00 C ATOM 1052 O GLY A 66 -6.279 2.628 -3.850 1.00 0.00 O ATOM 0 H GLY A 66 -5.732 6.290 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.415 4.894 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.121 4.517 -5.958 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.543 3.474 -5.062 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.557 2.451 -4.682 1.00 0.00 C ATOM 1058 C ASP A 67 -3.061 2.684 -3.254 1.00 0.00 C ATOM 1059 O ASP A 67 -2.821 1.726 -2.536 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.353 2.445 -5.641 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.742 2.175 -7.088 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -2.912 1.002 -7.465 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.912 3.140 -7.852 1.00 0.00 O ATOM 0 H ASP A 67 -4.181 4.165 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.057 1.484 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.844 3.407 -5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.641 1.687 -5.315 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.881 3.966 -2.850 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.520 4.309 -1.455 1.00 0.00 C ATOM 1070 C LEU A 68 -3.641 3.893 -0.494 1.00 0.00 C ATOM 1071 O LEU A 68 -3.364 3.372 0.568 1.00 0.00 O ATOM 1072 CB LEU A 68 -2.185 5.828 -1.265 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.755 6.301 -1.682 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.346 5.449 -1.007 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.590 6.353 -3.220 1.00 0.00 C ATOM 0 H LEU A 68 -2.979 4.773 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.612 3.752 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.912 6.408 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.330 6.077 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.634 7.322 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.327 5.807 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.258 5.533 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.230 4.406 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.418 6.687 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.756 5.360 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.316 7.049 -3.640 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.905 4.102 -0.899 1.00 0.00 N ATOM 1088 CA ALA A 69 -6.079 3.702 -0.099 1.00 0.00 C ATOM 1089 C ALA A 69 -6.050 2.184 0.147 1.00 0.00 C ATOM 1090 O ALA A 69 -6.299 1.717 1.261 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.381 4.125 -0.799 1.00 0.00 C ATOM 0 H ALA A 69 -5.143 4.550 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.042 4.209 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.235 3.821 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.392 5.208 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.441 3.646 -1.776 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.682 1.442 -0.910 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.521 -0.013 -0.858 1.00 0.00 C ATOM 1099 C ASP A 70 -4.368 -0.422 0.089 1.00 0.00 C ATOM 1100 O ASP A 70 -4.603 -1.105 1.081 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.288 -0.576 -2.285 1.00 0.00 C ATOM 1102 CG ASP A 70 -5.040 -2.098 -2.316 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -5.855 -2.857 -1.738 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -4.040 -2.542 -2.921 1.00 0.00 O ATOM 0 H ASP A 70 -5.488 1.841 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.440 -0.441 -0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.155 -0.345 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.433 -0.068 -2.732 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.146 0.058 -0.203 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.913 -0.369 0.502 1.00 0.00 C ATOM 1111 C LEU A 71 -1.952 0.008 1.982 1.00 0.00 C ATOM 1112 O LEU A 71 -1.700 -0.844 2.826 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.616 0.198 -0.169 1.00 0.00 C ATOM 1114 CG LEU A 71 0.033 -0.671 -1.289 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.414 -2.073 -0.768 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.868 -0.758 -2.523 1.00 0.00 C ATOM 0 H LEU A 71 -2.980 0.752 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.878 -1.456 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.851 1.175 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.128 0.358 0.611 1.00 0.00 H new ATOM 0 HG LEU A 71 0.955 -0.175 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.864 -2.651 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.128 -1.976 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.480 -2.584 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.385 -1.371 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.822 -1.208 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.040 0.243 -2.919 1.00 0.00 H new ATOM 1128 N VAL A 72 -2.260 1.286 2.277 1.00 0.00 N ATOM 1129 CA VAL A 72 -2.364 1.793 3.659 1.00 0.00 C ATOM 1130 C VAL A 72 -3.383 0.953 4.467 1.00 0.00 C ATOM 1131 O VAL A 72 -3.062 0.523 5.557 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.720 3.338 3.705 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.933 3.841 5.155 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.626 4.188 2.989 1.00 0.00 C ATOM 0 H VAL A 72 -2.443 1.994 1.566 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.384 1.687 4.124 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.662 3.463 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.175 4.904 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.753 3.289 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.022 3.685 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.896 5.243 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.666 4.037 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.550 3.879 1.946 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.557 0.640 3.873 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.613 -0.192 4.538 1.00 0.00 C ATOM 1146 C ASP A 73 -5.081 -1.593 4.925 1.00 0.00 C ATOM 1147 O ASP A 73 -5.310 -2.085 6.043 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.825 -0.359 3.591 1.00 0.00 C ATOM 1149 CG ASP A 73 -8.023 -1.086 4.235 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.719 -0.471 5.077 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -8.274 -2.270 3.901 1.00 0.00 O ATOM 0 H ASP A 73 -4.807 0.947 2.933 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.912 0.326 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.148 0.626 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.509 -0.912 2.706 1.00 0.00 H new ATOM 1156 N LYS A 74 -4.367 -2.204 3.969 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.829 -3.572 4.103 1.00 0.00 C ATOM 1158 C LYS A 74 -2.699 -3.621 5.147 1.00 0.00 C ATOM 1159 O LYS A 74 -2.627 -4.555 5.948 1.00 0.00 O ATOM 1160 CB LYS A 74 -3.339 -4.122 2.739 1.00 0.00 C ATOM 1161 CG LYS A 74 -4.436 -4.211 1.649 1.00 0.00 C ATOM 1162 CD LYS A 74 -5.670 -5.044 2.077 1.00 0.00 C ATOM 1163 CE LYS A 74 -6.779 -5.046 1.013 1.00 0.00 C ATOM 1164 NZ LYS A 74 -7.965 -5.813 1.453 1.00 0.00 N ATOM 0 H LYS A 74 -4.144 -1.764 3.076 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.641 -4.212 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.533 -3.486 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.917 -5.115 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.761 -3.203 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.007 -4.650 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.360 -6.070 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.067 -4.645 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.072 -4.020 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.393 -5.473 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.690 -5.790 0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.691 -6.799 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.349 -5.390 2.322 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.852 -2.577 5.151 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.688 -2.481 6.045 1.00 0.00 C ATOM 1180 C LYS A 75 -1.132 -2.169 7.476 1.00 0.00 C ATOM 1181 O LYS A 75 -0.571 -2.718 8.421 1.00 0.00 O ATOM 1182 CB LYS A 75 0.313 -1.417 5.527 1.00 0.00 C ATOM 1183 CG LYS A 75 0.964 -1.788 4.179 1.00 0.00 C ATOM 1184 CD LYS A 75 1.927 -0.704 3.649 1.00 0.00 C ATOM 1185 CE LYS A 75 2.515 -1.074 2.277 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.251 -2.363 2.305 1.00 0.00 N ATOM 0 H LYS A 75 -1.957 -1.774 4.531 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.179 -3.445 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.205 -0.464 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.096 -1.273 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.509 -2.725 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.181 -1.962 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.397 0.245 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.738 -0.559 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.710 -1.134 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.187 -0.282 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.599 -2.585 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.057 -2.289 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.614 -3.120 2.626 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.162 -1.305 7.619 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.769 -0.997 8.932 1.00 0.00 C ATOM 1202 C LEU A 76 -3.353 -2.280 9.541 1.00 0.00 C ATOM 1203 O LEU A 76 -3.179 -2.531 10.721 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.879 0.093 8.839 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.426 1.530 8.414 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.622 2.511 8.379 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.286 2.065 9.304 1.00 0.00 C ATOM 0 H LEU A 76 -2.591 -0.808 6.838 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.980 -0.599 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.632 -0.249 8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.367 0.165 9.811 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.030 1.453 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.273 3.500 8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.363 2.156 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.074 2.570 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.004 3.064 8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.623 2.108 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.424 1.402 9.230 1.00 0.00 H new ATOM 1219 N ALA A 77 -4.014 -3.098 8.693 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.592 -4.405 9.098 1.00 0.00 C ATOM 1221 C ALA A 77 -3.510 -5.351 9.661 1.00 0.00 C ATOM 1222 O ALA A 77 -3.757 -6.093 10.623 1.00 0.00 O ATOM 1223 CB ALA A 77 -5.317 -5.060 7.909 1.00 0.00 C ATOM 0 H ALA A 77 -4.164 -2.874 7.709 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.315 -4.220 9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.736 -6.017 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.120 -4.407 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.610 -5.221 7.095 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.314 -5.306 9.048 1.00 0.00 N ATOM 1230 CA ARG A 78 -1.137 -6.077 9.511 1.00 0.00 C ATOM 1231 C ARG A 78 -0.599 -5.523 10.838 1.00 0.00 C ATOM 1232 O ARG A 78 -0.079 -6.273 11.663 1.00 0.00 O ATOM 1233 CB ARG A 78 -0.012 -6.076 8.434 1.00 0.00 C ATOM 1234 CG ARG A 78 -0.438 -6.657 7.072 1.00 0.00 C ATOM 1235 CD ARG A 78 -1.098 -8.041 7.204 1.00 0.00 C ATOM 1236 NE ARG A 78 -1.493 -8.595 5.900 1.00 0.00 N ATOM 1237 CZ ARG A 78 -2.368 -9.589 5.719 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -3.046 -10.102 6.740 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -2.585 -10.042 4.501 1.00 0.00 N ATOM 0 H ARG A 78 -2.132 -4.738 8.221 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.461 -7.105 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.334 -5.053 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.836 -6.648 8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.133 -5.971 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.435 -6.734 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.406 -8.726 7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.976 -7.963 7.845 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.065 -8.188 5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.903 -9.737 7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.710 -10.860 6.582 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.088 -9.635 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.250 -10.800 4.350 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.745 -4.206 11.030 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.266 -3.493 12.229 1.00 0.00 C ATOM 1255 C LYS A 79 -1.292 -3.557 13.378 1.00 0.00 C ATOM 1256 O LYS A 79 -0.940 -3.313 14.537 1.00 0.00 O ATOM 1257 CB LYS A 79 0.050 -2.023 11.860 1.00 0.00 C ATOM 1258 CG LYS A 79 1.191 -1.850 10.831 1.00 0.00 C ATOM 1259 CD LYS A 79 2.566 -2.308 11.362 1.00 0.00 C ATOM 1260 CE LYS A 79 3.677 -2.199 10.302 1.00 0.00 C ATOM 1261 NZ LYS A 79 5.020 -2.490 10.869 1.00 0.00 N ATOM 0 H LYS A 79 -1.203 -3.596 10.353 1.00 0.00 H new ATOM 0 HA LYS A 79 0.641 -3.983 12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.853 -1.559 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.313 -1.482 12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.949 -2.417 9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.253 -0.801 10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.836 -1.705 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.494 -3.341 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.470 -2.893 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.673 -1.196 9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.738 -2.405 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.230 -1.812 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.033 -3.456 11.253 1.00 0.00 H new