USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 518 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 53 SER OG : rot -65:sc= 2.29 USER MOD Set 1.2: A 55 SER OG : rot 76:sc= 1.45 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.951 K(o=2.6,f=1.5) USER MOD Set 2.2: A 42 THR OG1 : rot -79:sc= 1.69 USER MOD Single : A 2 THR OG1 : rot -34:sc= 0.422 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000528) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.96 K(o=0.96,f=-0.45) USER MOD Single : A 44 THR OG1 : rot -102:sc= 1.24 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0921 USER MOD Single : A 48 ASN : amide:sc= -1.79! C(o=-1.8!,f=-9.6!) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 0.93 (180deg=-1.83!) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.706 (180deg=0.585) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 15:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= 0.896 (180deg=-1.44!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0225 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.307 10.353 8.321 1.00 10.00 N ATOM 20 CA THR A 2 -7.373 9.642 7.466 1.00 10.00 C ATOM 21 C THR A 2 -7.731 10.013 6.022 1.00 10.00 C ATOM 22 O THR A 2 -8.807 10.566 5.774 1.00 10.00 O ATOM 23 CB THR A 2 -7.475 8.132 7.738 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.830 7.759 7.876 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.722 7.735 9.014 1.00 10.00 C ATOM 0 HA THR A 2 -6.336 9.917 7.660 1.00 10.00 H new ATOM 0 HB THR A 2 -7.023 7.616 6.891 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.328 8.487 8.302 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.817 6.661 9.173 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.669 7.995 8.911 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.145 8.267 9.866 1.00 10.00 H new ATOM 33 N GLU A 3 -6.802 9.784 5.096 1.00 10.00 N ATOM 34 CA GLU A 3 -6.817 10.256 3.729 1.00 10.00 C ATOM 35 C GLU A 3 -6.638 9.039 2.821 1.00 10.00 C ATOM 36 O GLU A 3 -6.034 8.053 3.236 1.00 10.00 O ATOM 37 CB GLU A 3 -5.670 11.259 3.592 1.00 10.00 C ATOM 38 CG GLU A 3 -5.848 12.200 2.404 1.00 10.00 C ATOM 39 CD GLU A 3 -4.796 13.301 2.453 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.800 14.029 3.468 1.00 10.00 O ATOM 41 OE2 GLU A 3 -3.997 13.375 1.497 1.00 10.00 O ATOM 0 H GLU A 3 -5.971 9.229 5.301 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.748 10.751 3.451 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.595 11.846 4.507 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.730 10.717 3.483 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -5.761 11.643 1.471 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.846 12.638 2.422 1.00 10.00 H new ATOM 48 N LYS A 4 -7.205 9.086 1.613 1.00 10.00 N ATOM 49 CA LYS A 4 -7.187 7.971 0.680 1.00 10.00 C ATOM 50 C LYS A 4 -6.129 8.264 -0.380 1.00 10.00 C ATOM 51 O LYS A 4 -6.128 9.363 -0.930 1.00 10.00 O ATOM 52 CB LYS A 4 -8.566 7.801 0.024 1.00 10.00 C ATOM 53 CG LYS A 4 -9.582 7.016 0.867 1.00 10.00 C ATOM 54 CD LYS A 4 -10.182 7.767 2.062 1.00 10.00 C ATOM 55 CE LYS A 4 -11.047 8.974 1.670 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.552 10.222 2.282 1.00 10.00 N ATOM 0 H LYS A 4 -7.692 9.909 1.258 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.951 7.045 1.204 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.976 8.788 -0.190 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.439 7.295 -0.933 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -10.396 6.698 0.216 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -9.098 6.112 1.236 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.787 7.074 2.647 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -9.373 8.107 2.708 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.055 9.079 0.585 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -12.077 8.800 1.981 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.161 11.015 1.995 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -10.568 10.131 3.318 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -9.578 10.401 1.965 1.00 10.00 H new ATOM 70 N ALA A 5 -5.255 7.298 -0.673 1.00 10.00 N ATOM 71 CA ALA A 5 -4.212 7.432 -1.679 1.00 10.00 C ATOM 72 C ALA A 5 -4.071 6.125 -2.461 1.00 10.00 C ATOM 73 O ALA A 5 -4.438 5.067 -1.941 1.00 10.00 O ATOM 74 CB ALA A 5 -2.901 7.806 -0.995 1.00 10.00 C ATOM 0 H ALA A 5 -5.256 6.390 -0.208 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.476 8.220 -2.385 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -2.116 7.908 -1.744 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -3.023 8.752 -0.467 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.626 7.026 -0.285 1.00 10.00 H new ATOM 80 N GLU A 6 -3.527 6.188 -3.685 1.00 10.00 N ATOM 81 CA GLU A 6 -3.298 5.024 -4.522 1.00 10.00 C ATOM 82 C GLU A 6 -1.863 4.999 -5.009 1.00 10.00 C ATOM 83 O GLU A 6 -1.251 6.057 -5.166 1.00 10.00 O ATOM 84 CB GLU A 6 -4.230 5.009 -5.731 1.00 10.00 C ATOM 85 CG GLU A 6 -5.569 4.372 -5.361 1.00 10.00 C ATOM 86 CD GLU A 6 -6.267 3.682 -6.522 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.883 3.941 -7.684 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.154 2.864 -6.194 1.00 10.00 O ATOM 0 H GLU A 6 -3.234 7.064 -4.117 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.501 4.143 -3.912 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.390 6.026 -6.088 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.769 4.454 -6.547 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.406 3.646 -4.565 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.228 5.142 -4.960 1.00 10.00 H new ATOM 95 N PHE A 7 -1.371 3.781 -5.253 1.00 10.00 N ATOM 96 CA PHE A 7 0.019 3.465 -5.528 1.00 10.00 C ATOM 97 C PHE A 7 0.085 2.399 -6.623 1.00 10.00 C ATOM 98 O PHE A 7 -0.798 1.540 -6.683 1.00 10.00 O ATOM 99 CB PHE A 7 0.700 2.948 -4.252 1.00 10.00 C ATOM 100 CG PHE A 7 0.480 3.747 -2.990 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.763 3.678 -2.342 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.534 4.460 -2.395 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.039 4.535 -1.267 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.296 5.205 -1.227 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.004 5.295 -0.700 1.00 10.00 C ATOM 0 H PHE A 7 -1.967 2.953 -5.263 1.00 10.00 H new ATOM 0 HA PHE A 7 0.538 4.363 -5.863 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.357 1.929 -4.073 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.773 2.895 -4.437 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.506 2.966 -2.671 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.521 4.436 -2.832 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.043 4.610 -0.877 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.114 5.709 -0.733 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.206 5.946 0.138 1.00 10.00 H new ATOM 115 N ASP A 8 1.119 2.451 -7.470 1.00 10.00 N ATOM 116 CA ASP A 8 1.185 1.722 -8.736 1.00 10.00 C ATOM 117 C ASP A 8 2.236 0.610 -8.618 1.00 10.00 C ATOM 118 O ASP A 8 3.341 0.885 -8.143 1.00 10.00 O ATOM 119 CB ASP A 8 1.520 2.739 -9.840 1.00 10.00 C ATOM 120 CG ASP A 8 0.861 2.384 -11.162 1.00 10.00 C ATOM 121 OD1 ASP A 8 1.048 1.226 -11.585 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.175 3.276 -11.712 1.00 10.00 O ATOM 0 H ASP A 8 1.950 3.014 -7.288 1.00 10.00 H new ATOM 0 HA ASP A 8 0.238 1.242 -8.984 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.195 3.732 -9.529 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.601 2.785 -9.975 1.00 10.00 H new ATOM 127 N ILE A 9 1.880 -0.653 -8.905 1.00 10.00 N ATOM 128 CA ILE A 9 2.627 -1.813 -8.418 1.00 10.00 C ATOM 129 C ILE A 9 3.558 -2.396 -9.481 1.00 10.00 C ATOM 130 O ILE A 9 3.114 -3.062 -10.414 1.00 10.00 O ATOM 131 CB ILE A 9 1.655 -2.876 -7.870 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.524 -2.281 -7.021 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.421 -3.876 -7.003 1.00 10.00 C ATOM 134 CD1 ILE A 9 1.021 -1.324 -5.944 1.00 10.00 C ATOM 0 H ILE A 9 1.071 -0.893 -9.478 1.00 10.00 H new ATOM 0 HA ILE A 9 3.270 -1.477 -7.605 1.00 10.00 H new ATOM 0 HB ILE A 9 1.207 -3.357 -8.739 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.172 -1.754 -7.673 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.032 -3.091 -6.549 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.731 -4.626 -6.617 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.189 -4.364 -7.603 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.890 -3.351 -6.170 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.172 -0.939 -5.380 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.695 -1.853 -5.270 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.552 -0.495 -6.411 1.00 10.00 H new ATOM 146 N GLU A 10 4.870 -2.226 -9.293 1.00 10.00 N ATOM 147 CA GLU A 10 5.876 -2.750 -10.196 1.00 10.00 C ATOM 148 C GLU A 10 6.299 -4.126 -9.682 1.00 10.00 C ATOM 149 O GLU A 10 7.389 -4.278 -9.127 1.00 10.00 O ATOM 150 CB GLU A 10 7.056 -1.766 -10.265 1.00 10.00 C ATOM 151 CG GLU A 10 6.664 -0.386 -10.821 1.00 10.00 C ATOM 152 CD GLU A 10 7.793 0.630 -10.673 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.270 0.802 -9.529 1.00 10.00 O ATOM 154 OE2 GLU A 10 8.183 1.238 -11.691 1.00 10.00 O ATOM 0 H GLU A 10 5.258 -1.715 -8.500 1.00 10.00 H new ATOM 0 HA GLU A 10 5.488 -2.862 -11.209 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.476 -1.642 -9.267 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.840 -2.193 -10.890 1.00 10.00 H new ATOM 0 HG2 GLU A 10 6.397 -0.481 -11.874 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.778 -0.023 -10.299 1.00 10.00 H new ATOM 251 N ASN A 19 -2.136 -9.768 -0.462 1.00 10.00 N ATOM 252 CA ASN A 19 -2.626 -9.935 0.909 1.00 10.00 C ATOM 253 C ASN A 19 -1.560 -9.629 1.969 1.00 10.00 C ATOM 254 O ASN A 19 -1.887 -9.210 3.078 1.00 10.00 O ATOM 255 CB ASN A 19 -3.198 -11.343 1.139 1.00 10.00 C ATOM 256 CG ASN A 19 -4.704 -11.414 0.906 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.455 -11.814 1.789 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.148 -11.077 -0.299 1.00 10.00 N ATOM 0 HA ASN A 19 -3.425 -9.202 1.024 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.698 -12.047 0.473 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.977 -11.658 2.159 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.143 -11.147 -0.514 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.494 -10.748 -1.010 1.00 10.00 H new ATOM 265 N ARG A 20 -0.276 -9.858 1.679 1.00 10.00 N ATOM 266 CA ARG A 20 0.770 -9.618 2.655 1.00 10.00 C ATOM 267 C ARG A 20 0.962 -8.117 2.832 1.00 10.00 C ATOM 268 O ARG A 20 1.183 -7.662 3.958 1.00 10.00 O ATOM 269 CB ARG A 20 2.056 -10.342 2.247 1.00 10.00 C ATOM 270 CG ARG A 20 3.029 -10.419 3.433 1.00 10.00 C ATOM 271 CD ARG A 20 4.100 -11.497 3.214 1.00 10.00 C ATOM 272 NE ARG A 20 3.666 -12.793 3.761 1.00 10.00 N ATOM 273 CZ ARG A 20 4.418 -13.907 3.796 1.00 10.00 C ATOM 274 NH1 ARG A 20 5.591 -13.939 3.154 1.00 10.00 N ATOM 275 NH2 ARG A 20 3.996 -14.977 4.480 1.00 10.00 N ATOM 0 H ARG A 20 0.055 -10.207 0.779 1.00 10.00 H new ATOM 0 HA ARG A 20 0.482 -10.026 3.624 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.819 -11.347 1.897 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.527 -9.818 1.416 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.509 -9.451 3.574 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.475 -10.636 4.346 1.00 10.00 H new ATOM 0 HD2 ARG A 20 4.306 -11.599 2.148 1.00 10.00 H new ATOM 0 HD3 ARG A 20 5.031 -11.191 3.690 1.00 10.00 H new ATOM 0 HE ARG A 20 2.722 -12.850 4.143 1.00 10.00 H new ATOM 0 HH11 ARG A 20 5.913 -13.119 2.639 1.00 10.00 H new ATOM 0 HH12 ARG A 20 6.163 -14.783 3.179 1.00 10.00 H new ATOM 0 HH21 ARG A 20 3.104 -14.947 4.974 1.00 10.00 H new ATOM 0 HH22 ARG A 20 4.566 -15.822 4.507 1.00 10.00 H new ATOM 289 N ILE A 21 0.830 -7.357 1.733 1.00 10.00 N ATOM 290 CA ILE A 21 0.753 -5.900 1.799 1.00 10.00 C ATOM 291 C ILE A 21 -0.180 -5.491 2.932 1.00 10.00 C ATOM 292 O ILE A 21 0.237 -4.725 3.786 1.00 10.00 O ATOM 293 CB ILE A 21 0.286 -5.216 0.496 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.963 -5.794 -0.746 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.558 -3.712 0.626 1.00 10.00 C ATOM 296 CD1 ILE A 21 0.619 -5.069 -2.048 1.00 10.00 C ATOM 0 H ILE A 21 0.775 -7.735 0.787 1.00 10.00 H new ATOM 0 HA ILE A 21 1.774 -5.561 1.971 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.780 -5.400 0.362 1.00 10.00 H new ATOM 0 HG12 ILE A 21 2.043 -5.765 -0.603 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.682 -6.843 -0.843 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.236 -3.204 -0.283 1.00 10.00 H new ATOM 0 HG22 ILE A 21 0.006 -3.315 1.478 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.625 -3.547 0.776 1.00 10.00 H new ATOM 0 HD11 ILE A 21 1.142 -5.544 -2.878 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -0.456 -5.120 -2.220 1.00 10.00 H new ATOM 0 HD13 ILE A 21 0.926 -4.026 -1.975 1.00 10.00 H new ATOM 308 N GLU A 22 -1.413 -6.007 2.958 1.00 10.00 N ATOM 309 CA GLU A 22 -2.415 -5.614 3.942 1.00 10.00 C ATOM 310 C GLU A 22 -1.856 -5.647 5.368 1.00 10.00 C ATOM 311 O GLU A 22 -2.018 -4.695 6.121 1.00 10.00 O ATOM 312 CB GLU A 22 -3.661 -6.499 3.827 1.00 10.00 C ATOM 313 CG GLU A 22 -4.275 -6.469 2.422 1.00 10.00 C ATOM 314 CD GLU A 22 -5.590 -7.234 2.403 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.568 -6.687 2.955 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.583 -8.361 1.865 1.00 10.00 O ATOM 0 H GLU A 22 -1.740 -6.709 2.295 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.699 -4.584 3.727 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.399 -7.525 4.083 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.405 -6.169 4.552 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.442 -5.437 2.113 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.581 -6.908 1.705 1.00 10.00 H new ATOM 323 N LYS A 23 -1.165 -6.727 5.744 1.00 10.00 N ATOM 324 CA LYS A 23 -0.553 -6.843 7.061 1.00 10.00 C ATOM 325 C LYS A 23 0.603 -5.848 7.191 1.00 10.00 C ATOM 326 O LYS A 23 0.702 -5.118 8.178 1.00 10.00 O ATOM 327 CB LYS A 23 -0.107 -8.296 7.322 1.00 10.00 C ATOM 328 CG LYS A 23 -0.913 -8.936 8.465 1.00 10.00 C ATOM 329 CD LYS A 23 -2.398 -9.148 8.115 1.00 10.00 C ATOM 330 CE LYS A 23 -2.666 -10.424 7.302 1.00 10.00 C ATOM 331 NZ LYS A 23 -2.573 -11.648 8.128 1.00 10.00 N ATOM 0 H LYS A 23 -1.017 -7.539 5.144 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.288 -6.593 7.826 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.232 -8.885 6.413 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.954 -8.313 7.570 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.466 -9.896 8.723 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.842 -8.304 9.350 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.977 -9.187 9.037 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.755 -8.287 7.551 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.658 -10.365 6.855 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.950 -10.487 6.482 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.778 -12.480 7.539 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.614 -11.730 8.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.262 -11.595 8.905 1.00 10.00 H new ATOM 345 N ARG A 24 1.484 -5.818 6.190 1.00 10.00 N ATOM 346 CA ARG A 24 2.639 -4.930 6.184 1.00 10.00 C ATOM 347 C ARG A 24 2.235 -3.456 6.332 1.00 10.00 C ATOM 348 O ARG A 24 2.942 -2.690 6.986 1.00 10.00 O ATOM 349 CB ARG A 24 3.472 -5.211 4.922 1.00 10.00 C ATOM 350 CG ARG A 24 4.670 -6.112 5.257 1.00 10.00 C ATOM 351 CD ARG A 24 5.866 -5.269 5.718 1.00 10.00 C ATOM 352 NE ARG A 24 6.935 -6.101 6.294 1.00 10.00 N ATOM 353 CZ ARG A 24 8.179 -5.674 6.574 1.00 10.00 C ATOM 354 NH1 ARG A 24 8.564 -4.438 6.225 1.00 10.00 N ATOM 355 NH2 ARG A 24 9.024 -6.484 7.223 1.00 10.00 N ATOM 0 H ARG A 24 1.414 -6.410 5.362 1.00 10.00 H new ATOM 0 HA ARG A 24 3.261 -5.133 7.055 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.849 -5.691 4.167 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.824 -4.272 4.495 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.393 -6.819 6.039 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.947 -6.698 4.381 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.260 -4.706 4.872 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.533 -4.542 6.458 1.00 10.00 H new ATOM 0 HE ARG A 24 6.715 -7.076 6.496 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.912 -3.817 5.745 1.00 10.00 H new ATOM 0 HH12 ARG A 24 9.509 -4.118 6.439 1.00 10.00 H new ATOM 0 HH21 ARG A 24 8.723 -7.418 7.502 1.00 10.00 H new ATOM 0 HH22 ARG A 24 9.969 -6.167 7.439 1.00 10.00 H new ATOM 369 N LEU A 25 1.100 -3.072 5.750 1.00 10.00 N ATOM 370 CA LEU A 25 0.518 -1.744 5.820 1.00 10.00 C ATOM 371 C LEU A 25 -0.232 -1.548 7.131 1.00 10.00 C ATOM 372 O LEU A 25 -0.057 -0.523 7.778 1.00 10.00 O ATOM 373 CB LEU A 25 -0.408 -1.509 4.620 1.00 10.00 C ATOM 374 CG LEU A 25 0.174 -0.435 3.699 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.621 -0.410 2.394 1.00 10.00 C ATOM 376 CD2 LEU A 25 0.001 0.938 4.365 1.00 10.00 C ATOM 0 H LEU A 25 0.538 -3.714 5.191 1.00 10.00 H new ATOM 0 HA LEU A 25 1.324 -1.011 5.785 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.540 -2.439 4.067 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.394 -1.203 4.968 1.00 10.00 H new ATOM 0 HG LEU A 25 1.226 -0.651 3.510 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.211 0.354 1.733 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.555 -1.384 1.909 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.665 -0.182 2.608 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.413 1.711 3.717 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.059 1.131 4.532 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.526 0.948 5.320 1.00 10.00 H new ATOM 388 N ASN A 26 -1.036 -2.528 7.554 1.00 10.00 N ATOM 389 CA ASN A 26 -1.708 -2.484 8.850 1.00 10.00 C ATOM 390 C ASN A 26 -0.706 -2.261 9.981 1.00 10.00 C ATOM 391 O ASN A 26 -1.079 -1.758 11.036 1.00 10.00 O ATOM 392 CB ASN A 26 -2.527 -3.754 9.119 1.00 10.00 C ATOM 393 CG ASN A 26 -3.929 -3.701 8.514 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.174 -3.039 7.511 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.882 -4.387 9.142 1.00 10.00 N ATOM 0 H ASN A 26 -1.237 -3.367 7.010 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.398 -1.641 8.816 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -1.995 -4.615 8.714 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.607 -3.906 10.195 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.839 -4.369 8.790 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.655 -4.931 9.975 1.00 10.00 H new ATOM 402 N LYS A 27 0.563 -2.636 9.783 1.00 10.00 N ATOM 403 CA LYS A 27 1.605 -2.327 10.744 1.00 10.00 C ATOM 404 C LYS A 27 1.755 -0.818 11.003 1.00 10.00 C ATOM 405 O LYS A 27 2.122 -0.424 12.106 1.00 10.00 O ATOM 406 CB LYS A 27 2.918 -2.897 10.208 1.00 10.00 C ATOM 407 CG LYS A 27 3.794 -3.513 11.303 1.00 10.00 C ATOM 408 CD LYS A 27 5.229 -2.992 11.204 1.00 10.00 C ATOM 409 CE LYS A 27 5.849 -3.296 9.831 1.00 10.00 C ATOM 410 NZ LYS A 27 7.138 -2.588 9.669 1.00 10.00 N ATOM 0 H LYS A 27 0.884 -3.153 8.964 1.00 10.00 H new ATOM 0 HA LYS A 27 1.335 -2.774 11.701 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.699 -3.655 9.456 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.475 -2.104 9.708 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.382 -3.274 12.283 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.789 -4.599 11.212 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.239 -1.916 11.378 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.836 -3.447 11.987 1.00 10.00 H new ATOM 0 HE2 LYS A 27 6.003 -4.370 9.726 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.161 -2.994 9.041 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.539 -2.807 8.735 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.983 -1.563 9.747 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.799 -2.896 10.411 1.00 10.00 H new ATOM 424 N ILE A 28 1.560 0.015 9.975 1.00 10.00 N ATOM 425 CA ILE A 28 1.653 1.462 10.079 1.00 10.00 C ATOM 426 C ILE A 28 0.629 1.977 11.093 1.00 10.00 C ATOM 427 O ILE A 28 -0.524 1.558 11.076 1.00 10.00 O ATOM 428 CB ILE A 28 1.441 2.092 8.688 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.434 1.576 7.627 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.522 3.614 8.774 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.889 1.533 8.096 1.00 10.00 C ATOM 0 H ILE A 28 1.330 -0.310 9.036 1.00 10.00 H new ATOM 0 HA ILE A 28 2.644 1.747 10.433 1.00 10.00 H new ATOM 0 HB ILE A 28 0.445 1.789 8.365 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.133 0.574 7.321 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.368 2.212 6.744 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.370 4.043 7.784 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.751 3.982 9.451 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.503 3.906 9.149 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.520 1.159 7.290 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.212 2.537 8.373 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.974 0.873 8.959 1.00 10.00 H new ATOM 443 N GLU A 29 1.043 2.892 11.976 1.00 10.00 N ATOM 444 CA GLU A 29 0.186 3.336 13.065 1.00 10.00 C ATOM 445 C GLU A 29 -1.000 4.162 12.561 1.00 10.00 C ATOM 446 O GLU A 29 -2.147 3.828 12.844 1.00 10.00 O ATOM 447 CB GLU A 29 1.004 4.074 14.132 1.00 10.00 C ATOM 448 CG GLU A 29 1.995 3.110 14.802 1.00 10.00 C ATOM 449 CD GLU A 29 2.642 3.731 16.033 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.874 4.085 16.954 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.887 3.827 16.034 1.00 10.00 O ATOM 0 H GLU A 29 1.962 3.334 11.953 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.243 2.452 13.537 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.544 4.904 13.677 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.337 4.500 14.881 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.476 2.195 15.087 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.768 2.829 14.087 1.00 10.00 H new ATOM 458 N GLY A 30 -0.765 5.236 11.797 1.00 10.00 N ATOM 459 CA GLY A 30 -1.833 6.141 11.407 1.00 10.00 C ATOM 460 C GLY A 30 -2.616 5.615 10.210 1.00 10.00 C ATOM 461 O GLY A 30 -2.941 6.380 9.309 1.00 10.00 O ATOM 0 H GLY A 30 0.156 5.492 11.441 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.511 6.287 12.248 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.412 7.117 11.165 1.00 10.00 H new ATOM 465 N VAL A 31 -2.900 4.315 10.176 1.00 10.00 N ATOM 466 CA VAL A 31 -3.546 3.645 9.069 1.00 10.00 C ATOM 467 C VAL A 31 -5.019 3.444 9.416 1.00 10.00 C ATOM 468 O VAL A 31 -5.366 3.316 10.589 1.00 10.00 O ATOM 469 CB VAL A 31 -2.787 2.336 8.811 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.214 1.206 9.751 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.913 1.910 7.353 1.00 10.00 C ATOM 0 H VAL A 31 -2.676 3.686 10.947 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.519 4.227 8.148 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.737 2.538 9.025 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.643 0.306 9.521 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.026 1.501 10.783 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.277 1.005 9.619 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.366 0.980 7.197 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.964 1.758 7.108 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.499 2.687 6.710 1.00 10.00 H new ATOM 481 N ALA A 32 -5.882 3.421 8.400 1.00 10.00 N ATOM 482 CA ALA A 32 -7.285 3.065 8.554 1.00 10.00 C ATOM 483 C ALA A 32 -7.526 1.737 7.850 1.00 10.00 C ATOM 484 O ALA A 32 -7.974 0.779 8.473 1.00 10.00 O ATOM 485 CB ALA A 32 -8.189 4.156 7.980 1.00 10.00 C ATOM 0 H ALA A 32 -5.621 3.651 7.441 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.525 2.969 9.613 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.233 3.868 8.107 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.005 5.094 8.504 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -7.974 4.286 6.919 1.00 10.00 H new ATOM 491 N ASN A 33 -7.234 1.686 6.546 1.00 10.00 N ATOM 492 CA ASN A 33 -7.539 0.540 5.704 1.00 10.00 C ATOM 493 C ASN A 33 -6.462 0.424 4.628 1.00 10.00 C ATOM 494 O ASN A 33 -5.832 1.419 4.278 1.00 10.00 O ATOM 495 CB ASN A 33 -8.918 0.708 5.043 1.00 10.00 C ATOM 496 CG ASN A 33 -10.060 0.911 6.031 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.455 -0.024 6.721 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.631 2.110 6.094 1.00 10.00 N ATOM 0 H ASN A 33 -6.776 2.449 6.048 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.560 -0.363 6.315 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -8.883 1.561 4.365 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.128 -0.173 4.437 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.416 2.269 6.726 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.284 2.871 5.510 1.00 10.00 H new ATOM 505 N ALA A 34 -6.268 -0.777 4.082 1.00 10.00 N ATOM 506 CA ALA A 34 -5.348 -1.023 2.973 1.00 10.00 C ATOM 507 C ALA A 34 -5.895 -2.046 1.967 1.00 10.00 C ATOM 508 O ALA A 34 -5.236 -3.051 1.706 1.00 10.00 O ATOM 509 CB ALA A 34 -3.998 -1.460 3.550 1.00 10.00 C ATOM 0 H ALA A 34 -6.752 -1.616 4.402 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.225 -0.100 2.407 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.298 -1.648 2.736 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.604 -0.672 4.192 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.129 -2.371 4.133 1.00 10.00 H new ATOM 515 N PRO A 35 -7.082 -1.823 1.377 1.00 10.00 N ATOM 516 CA PRO A 35 -7.693 -2.768 0.458 1.00 10.00 C ATOM 517 C PRO A 35 -6.987 -2.715 -0.900 1.00 10.00 C ATOM 518 O PRO A 35 -7.494 -2.115 -1.845 1.00 10.00 O ATOM 519 CB PRO A 35 -9.161 -2.333 0.372 1.00 10.00 C ATOM 520 CG PRO A 35 -9.073 -0.815 0.542 1.00 10.00 C ATOM 521 CD PRO A 35 -7.942 -0.664 1.558 1.00 10.00 C ATOM 0 HA PRO A 35 -7.612 -3.803 0.790 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.609 -2.608 -0.583 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.766 -2.793 1.153 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.844 -0.313 -0.398 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.008 -0.392 0.909 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.390 0.261 1.392 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.334 -0.624 2.574 1.00 10.00 H new ATOM 529 N VAL A 36 -5.809 -3.333 -1.009 1.00 10.00 N ATOM 530 CA VAL A 36 -5.087 -3.424 -2.264 1.00 10.00 C ATOM 531 C VAL A 36 -5.929 -4.101 -3.353 1.00 10.00 C ATOM 532 O VAL A 36 -6.789 -4.930 -3.053 1.00 10.00 O ATOM 533 CB VAL A 36 -3.769 -4.170 -2.024 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.059 -3.645 -0.769 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.010 -5.671 -1.861 1.00 10.00 C ATOM 0 H VAL A 36 -5.335 -3.782 -0.225 1.00 10.00 H new ATOM 0 HA VAL A 36 -4.870 -2.419 -2.626 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.139 -3.996 -2.896 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.127 -4.191 -0.623 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -2.842 -2.584 -0.891 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.703 -3.786 0.099 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.059 -6.176 -1.692 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.669 -5.843 -1.010 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.475 -6.065 -2.765 1.00 10.00 H new ATOM 545 N ASN A 37 -5.648 -3.792 -4.623 1.00 10.00 N ATOM 546 CA ASN A 37 -6.388 -4.363 -5.739 1.00 10.00 C ATOM 547 C ASN A 37 -5.668 -5.610 -6.241 1.00 10.00 C ATOM 548 O ASN A 37 -4.445 -5.620 -6.358 1.00 10.00 O ATOM 549 CB ASN A 37 -6.551 -3.343 -6.869 1.00 10.00 C ATOM 550 CG ASN A 37 -7.246 -2.057 -6.420 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.167 -2.101 -5.611 1.00 10.00 O ATOM 552 ND2 ASN A 37 -6.836 -0.909 -6.952 1.00 10.00 N ATOM 0 H ASN A 37 -4.908 -3.146 -4.898 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.385 -4.638 -5.396 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.569 -3.096 -7.272 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.124 -3.795 -7.679 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.290 -0.034 -6.690 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.067 -0.903 -7.622 1.00 10.00 H new ATOM 559 N PHE A 38 -6.430 -6.661 -6.552 1.00 10.00 N ATOM 560 CA PHE A 38 -5.927 -7.994 -6.876 1.00 10.00 C ATOM 561 C PHE A 38 -6.312 -8.372 -8.310 1.00 10.00 C ATOM 562 O PHE A 38 -6.926 -9.410 -8.546 1.00 10.00 O ATOM 563 CB PHE A 38 -6.433 -8.990 -5.816 1.00 10.00 C ATOM 564 CG PHE A 38 -7.805 -8.683 -5.240 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.968 -9.053 -5.941 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.914 -7.932 -4.055 1.00 10.00 C ATOM 567 CE1 PHE A 38 -10.234 -8.695 -5.443 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.177 -7.569 -3.562 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.339 -7.958 -4.251 1.00 10.00 C ATOM 0 H PHE A 38 -7.448 -6.604 -6.586 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.838 -8.016 -6.845 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -6.457 -9.986 -6.259 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.713 -9.022 -4.999 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -8.888 -9.612 -6.862 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.023 -7.634 -3.523 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -11.126 -8.987 -5.977 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.256 -6.991 -2.653 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.311 -7.691 -3.865 1.00 10.00 H new ATOM 579 N ALA A 39 -5.942 -7.503 -9.257 1.00 10.00 N ATOM 580 CA ALA A 39 -6.124 -7.644 -10.704 1.00 10.00 C ATOM 581 C ALA A 39 -5.760 -6.333 -11.408 1.00 10.00 C ATOM 582 O ALA A 39 -5.283 -6.339 -12.537 1.00 10.00 O ATOM 583 CB ALA A 39 -7.570 -8.009 -11.066 1.00 10.00 C ATOM 0 H ALA A 39 -5.478 -6.627 -9.017 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.469 -8.450 -11.034 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.661 -8.104 -12.148 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.835 -8.956 -10.595 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.242 -7.227 -10.712 1.00 10.00 H new ATOM 589 N LEU A 40 -6.038 -5.206 -10.745 1.00 10.00 N ATOM 590 CA LEU A 40 -5.946 -3.860 -11.301 1.00 10.00 C ATOM 591 C LEU A 40 -4.568 -3.236 -11.066 1.00 10.00 C ATOM 592 O LEU A 40 -4.328 -2.087 -11.432 1.00 10.00 O ATOM 593 CB LEU A 40 -7.002 -2.979 -10.634 1.00 10.00 C ATOM 594 CG LEU A 40 -8.345 -3.676 -10.374 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.253 -2.627 -9.750 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.948 -4.285 -11.641 1.00 10.00 C ATOM 0 H LEU A 40 -6.344 -5.210 -9.772 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.108 -3.928 -12.377 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.607 -2.616 -9.685 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.177 -2.105 -11.262 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.212 -4.526 -9.704 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.228 -3.067 -9.542 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.810 -2.269 -8.820 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.372 -1.792 -10.440 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.896 -4.765 -11.398 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.117 -3.499 -12.378 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.261 -5.026 -12.051 1.00 10.00 H new ATOM 608 N GLU A 41 -3.702 -3.978 -10.381 1.00 10.00 N ATOM 609 CA GLU A 41 -2.266 -3.728 -10.303 1.00 10.00 C ATOM 610 C GLU A 41 -1.976 -2.413 -9.579 1.00 10.00 C ATOM 611 O GLU A 41 -1.036 -1.690 -9.910 1.00 10.00 O ATOM 612 CB GLU A 41 -1.647 -3.767 -11.707 1.00 10.00 C ATOM 613 CG GLU A 41 -2.223 -4.912 -12.549 1.00 10.00 C ATOM 614 CD GLU A 41 -1.236 -5.413 -13.591 1.00 10.00 C ATOM 615 OE1 GLU A 41 -1.185 -4.805 -14.680 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.551 -6.407 -13.263 1.00 10.00 O ATOM 0 H GLU A 41 -3.991 -4.798 -9.847 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.801 -4.518 -9.714 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.828 -2.818 -12.211 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.566 -3.883 -11.625 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -2.506 -5.736 -11.894 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -3.132 -4.573 -13.046 1.00 10.00 H new ATOM 623 N THR A 42 -2.808 -2.116 -8.580 1.00 10.00 N ATOM 624 CA THR A 42 -2.826 -0.869 -7.847 1.00 10.00 C ATOM 625 C THR A 42 -3.075 -1.195 -6.372 1.00 10.00 C ATOM 626 O THR A 42 -3.933 -2.011 -6.040 1.00 10.00 O ATOM 627 CB THR A 42 -3.900 0.058 -8.443 1.00 10.00 C ATOM 628 OG1 THR A 42 -4.942 -0.705 -9.030 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.301 0.955 -9.530 1.00 10.00 C ATOM 0 H THR A 42 -3.516 -2.774 -8.252 1.00 10.00 H new ATOM 0 HA THR A 42 -1.876 -0.340 -7.925 1.00 10.00 H new ATOM 0 HB THR A 42 -4.291 0.670 -7.630 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.656 -1.027 -9.910 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.078 1.602 -9.937 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.508 1.567 -9.100 1.00 10.00 H new ATOM 0 HG23 THR A 42 -2.890 0.336 -10.327 1.00 10.00 H new ATOM 637 N VAL A 43 -2.298 -0.589 -5.479 1.00 10.00 N ATOM 638 CA VAL A 43 -2.572 -0.611 -4.050 1.00 10.00 C ATOM 639 C VAL A 43 -3.344 0.660 -3.731 1.00 10.00 C ATOM 640 O VAL A 43 -3.024 1.724 -4.258 1.00 10.00 O ATOM 641 CB VAL A 43 -1.261 -0.703 -3.261 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.362 -0.251 -1.801 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.699 -2.124 -3.312 1.00 10.00 C ATOM 0 H VAL A 43 -1.458 -0.067 -5.730 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.162 -1.482 -3.766 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.586 -0.003 -3.755 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.388 -0.350 -1.321 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.680 0.791 -1.764 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.089 -0.871 -1.278 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.231 -2.168 -2.746 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.421 -2.816 -2.878 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.507 -2.402 -4.348 1.00 10.00 H new ATOM 653 N THR A 44 -4.331 0.533 -2.850 1.00 10.00 N ATOM 654 CA THR A 44 -5.211 1.592 -2.415 1.00 10.00 C ATOM 655 C THR A 44 -5.125 1.615 -0.891 1.00 10.00 C ATOM 656 O THR A 44 -5.414 0.597 -0.262 1.00 10.00 O ATOM 657 CB THR A 44 -6.621 1.247 -2.919 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.627 1.062 -4.327 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.639 2.291 -2.479 1.00 10.00 C ATOM 0 H THR A 44 -4.543 -0.359 -2.403 1.00 10.00 H new ATOM 0 HA THR A 44 -4.948 2.577 -2.801 1.00 10.00 H new ATOM 0 HB THR A 44 -6.918 0.302 -2.465 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.996 1.860 -4.760 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.626 2.017 -2.852 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.663 2.339 -1.390 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.358 3.265 -2.879 1.00 10.00 H new ATOM 667 N VAL A 45 -4.686 2.731 -0.297 1.00 10.00 N ATOM 668 CA VAL A 45 -4.539 2.856 1.148 1.00 10.00 C ATOM 669 C VAL A 45 -5.409 3.995 1.653 1.00 10.00 C ATOM 670 O VAL A 45 -5.504 5.033 1.002 1.00 10.00 O ATOM 671 CB VAL A 45 -3.070 3.093 1.526 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.867 2.946 3.038 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.177 2.086 0.803 1.00 10.00 C ATOM 0 H VAL A 45 -4.423 3.572 -0.811 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.861 1.926 1.617 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.803 4.107 1.228 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.819 3.118 3.283 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.486 3.675 3.561 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.151 1.940 3.347 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.136 2.261 1.076 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.463 1.074 1.090 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.294 2.204 -0.274 1.00 10.00 H new ATOM 683 N GLU A 46 -6.000 3.798 2.832 1.00 10.00 N ATOM 684 CA GLU A 46 -6.556 4.850 3.655 1.00 10.00 C ATOM 685 C GLU A 46 -5.649 4.994 4.878 1.00 10.00 C ATOM 686 O GLU A 46 -5.602 4.087 5.713 1.00 10.00 O ATOM 687 CB GLU A 46 -7.997 4.515 4.046 1.00 10.00 C ATOM 688 CG GLU A 46 -8.655 5.738 4.697 1.00 10.00 C ATOM 689 CD GLU A 46 -10.159 5.569 4.829 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.596 4.400 4.769 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.838 6.612 4.940 1.00 10.00 O ATOM 0 H GLU A 46 -6.103 2.871 3.245 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.596 5.796 3.115 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.562 4.213 3.164 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.010 3.672 4.737 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.220 5.902 5.683 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.440 6.626 4.102 1.00 10.00 H new ATOM 698 N TYR A 47 -4.911 6.104 4.974 1.00 10.00 N ATOM 699 CA TYR A 47 -4.010 6.387 6.084 1.00 10.00 C ATOM 700 C TYR A 47 -3.888 7.894 6.265 1.00 10.00 C ATOM 701 O TYR A 47 -4.272 8.663 5.390 1.00 10.00 O ATOM 702 CB TYR A 47 -2.624 5.757 5.865 1.00 10.00 C ATOM 703 CG TYR A 47 -1.704 6.540 4.946 1.00 10.00 C ATOM 704 CD1 TYR A 47 -2.014 6.687 3.580 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.664 7.305 5.508 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.344 7.654 2.808 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.035 8.305 4.750 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.400 8.501 3.411 1.00 10.00 C ATOM 709 OH TYR A 47 0.131 9.539 2.707 1.00 10.00 O ATOM 0 H TYR A 47 -4.927 6.840 4.268 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.428 5.943 6.988 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.136 5.643 6.833 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.757 4.756 5.455 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.765 6.058 3.126 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.349 7.122 6.525 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.556 7.745 1.753 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.729 8.923 5.198 1.00 10.00 H new ATOM 0 HH TYR A 47 0.767 10.026 3.272 1.00 10.00 H new ATOM 719 N ASN A 48 -3.361 8.319 7.407 1.00 10.00 N ATOM 720 CA ASN A 48 -3.181 9.724 7.732 1.00 10.00 C ATOM 721 C ASN A 48 -1.762 10.181 7.387 1.00 10.00 C ATOM 722 O ASN A 48 -0.797 9.497 7.717 1.00 10.00 O ATOM 723 CB ASN A 48 -3.587 10.017 9.187 1.00 10.00 C ATOM 724 CG ASN A 48 -2.679 9.509 10.312 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.464 9.389 10.199 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.253 9.343 11.498 1.00 10.00 N ATOM 0 H ASN A 48 -3.043 7.687 8.142 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.853 10.319 7.114 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.677 11.098 9.295 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.580 9.596 9.346 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.683 9.116 12.313 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.264 9.442 11.594 1.00 10.00 H new ATOM 733 N PRO A 49 -1.584 11.341 6.743 1.00 10.00 N ATOM 734 CA PRO A 49 -0.267 11.924 6.578 1.00 10.00 C ATOM 735 C PRO A 49 0.126 12.657 7.869 1.00 10.00 C ATOM 736 O PRO A 49 0.410 13.852 7.826 1.00 10.00 O ATOM 737 CB PRO A 49 -0.417 12.854 5.367 1.00 10.00 C ATOM 738 CG PRO A 49 -1.859 13.346 5.486 1.00 10.00 C ATOM 739 CD PRO A 49 -2.596 12.136 6.063 1.00 10.00 C ATOM 0 HA PRO A 49 0.529 11.201 6.403 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.295 13.679 5.401 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.247 12.325 4.429 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.935 14.214 6.141 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.265 13.641 4.518 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.378 12.448 6.755 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.080 11.560 5.274 1.00 10.00 H new ATOM 747 N LYS A 50 0.129 11.969 9.026 1.00 10.00 N ATOM 748 CA LYS A 50 0.580 12.569 10.279 1.00 10.00 C ATOM 749 C LYS A 50 1.432 11.612 11.114 1.00 10.00 C ATOM 750 O LYS A 50 2.415 12.047 11.708 1.00 10.00 O ATOM 751 CB LYS A 50 -0.583 13.258 11.019 1.00 10.00 C ATOM 752 CG LYS A 50 -1.565 12.439 11.861 1.00 10.00 C ATOM 753 CD LYS A 50 -1.074 11.836 13.182 1.00 10.00 C ATOM 754 CE LYS A 50 -0.546 12.860 14.190 1.00 10.00 C ATOM 755 NZ LYS A 50 -0.033 12.176 15.394 1.00 10.00 N ATOM 0 H LYS A 50 -0.177 11.000 9.111 1.00 10.00 H new ATOM 0 HA LYS A 50 1.274 13.377 10.048 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.145 14.009 11.676 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.169 13.792 10.271 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.420 13.077 12.086 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.932 11.622 11.240 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -1.893 11.283 13.641 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.284 11.116 12.967 1.00 10.00 H new ATOM 0 HE2 LYS A 50 0.247 13.453 13.735 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.342 13.551 14.467 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 0.004 12.849 16.186 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.663 11.386 15.640 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 0.922 11.811 15.205 1.00 10.00 H new ATOM 769 N GLU A 51 1.072 10.323 11.164 1.00 10.00 N ATOM 770 CA GLU A 51 1.808 9.321 11.930 1.00 10.00 C ATOM 771 C GLU A 51 2.808 8.592 11.029 1.00 10.00 C ATOM 772 O GLU A 51 3.812 8.076 11.511 1.00 10.00 O ATOM 773 CB GLU A 51 0.808 8.340 12.574 1.00 10.00 C ATOM 774 CG GLU A 51 1.024 8.151 14.084 1.00 10.00 C ATOM 775 CD GLU A 51 0.687 9.405 14.872 1.00 10.00 C ATOM 776 OE1 GLU A 51 -0.508 9.644 15.154 1.00 10.00 O ATOM 777 OE2 GLU A 51 1.599 10.228 15.115 1.00 10.00 O ATOM 0 H GLU A 51 0.260 9.950 10.672 1.00 10.00 H new ATOM 0 HA GLU A 51 2.377 9.807 12.723 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.206 8.701 12.402 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.890 7.372 12.079 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.407 7.325 14.437 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.062 7.875 14.269 1.00 10.00 H new ATOM 784 N ALA A 52 2.523 8.527 9.724 1.00 10.00 N ATOM 785 CA ALA A 52 3.357 7.859 8.738 1.00 10.00 C ATOM 786 C ALA A 52 3.150 8.521 7.375 1.00 10.00 C ATOM 787 O ALA A 52 2.278 9.379 7.240 1.00 10.00 O ATOM 788 CB ALA A 52 2.973 6.386 8.690 1.00 10.00 C ATOM 0 H ALA A 52 1.686 8.949 9.322 1.00 10.00 H new ATOM 0 HA ALA A 52 4.410 7.941 9.006 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.591 5.873 7.954 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.129 5.937 9.671 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.924 6.292 8.411 1.00 10.00 H new ATOM 794 N SER A 53 3.939 8.131 6.368 1.00 10.00 N ATOM 795 CA SER A 53 3.912 8.702 5.028 1.00 10.00 C ATOM 796 C SER A 53 3.862 7.624 3.938 1.00 10.00 C ATOM 797 O SER A 53 4.110 6.441 4.179 1.00 10.00 O ATOM 798 CB SER A 53 5.160 9.574 4.853 1.00 10.00 C ATOM 799 OG SER A 53 6.326 8.773 4.882 1.00 10.00 O ATOM 0 H SER A 53 4.631 7.389 6.471 1.00 10.00 H new ATOM 0 HA SER A 53 3.005 9.298 4.920 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.105 10.114 3.908 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.204 10.321 5.645 1.00 10.00 H new ATOM 0 HG SER A 53 6.425 8.372 5.771 1.00 10.00 H new ATOM 805 N VAL A 54 3.612 8.071 2.702 1.00 10.00 N ATOM 806 CA VAL A 54 3.789 7.273 1.495 1.00 10.00 C ATOM 807 C VAL A 54 5.166 6.592 1.492 1.00 10.00 C ATOM 808 O VAL A 54 5.293 5.412 1.160 1.00 10.00 O ATOM 809 CB VAL A 54 3.559 8.142 0.240 1.00 10.00 C ATOM 810 CG1 VAL A 54 2.153 8.755 0.262 1.00 10.00 C ATOM 811 CG2 VAL A 54 4.579 9.278 0.066 1.00 10.00 C ATOM 0 H VAL A 54 3.275 9.015 2.515 1.00 10.00 H new ATOM 0 HA VAL A 54 3.043 6.478 1.479 1.00 10.00 H new ATOM 0 HB VAL A 54 3.682 7.462 -0.603 1.00 10.00 H new ATOM 0 HG11 VAL A 54 2.008 9.364 -0.630 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.409 7.959 0.282 1.00 10.00 H new ATOM 0 HG13 VAL A 54 2.042 9.378 1.149 1.00 10.00 H new ATOM 0 HG21 VAL A 54 4.347 9.840 -0.839 1.00 10.00 H new ATOM 0 HG22 VAL A 54 4.533 9.943 0.928 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.581 8.858 -0.015 1.00 10.00 H new ATOM 821 N SER A 55 6.199 7.348 1.874 1.00 10.00 N ATOM 822 CA SER A 55 7.584 6.922 1.952 1.00 10.00 C ATOM 823 C SER A 55 7.765 5.769 2.942 1.00 10.00 C ATOM 824 O SER A 55 8.577 4.874 2.683 1.00 10.00 O ATOM 825 CB SER A 55 8.463 8.132 2.308 1.00 10.00 C ATOM 826 OG SER A 55 7.668 9.275 2.572 1.00 10.00 O ATOM 0 H SER A 55 6.077 8.322 2.150 1.00 10.00 H new ATOM 0 HA SER A 55 7.895 6.537 0.981 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.073 7.899 3.181 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.148 8.343 1.487 1.00 10.00 H new ATOM 0 HG SER A 55 7.262 9.193 3.460 1.00 10.00 H new ATOM 832 N ASP A 56 7.018 5.780 4.050 1.00 10.00 N ATOM 833 CA ASP A 56 7.032 4.693 5.005 1.00 10.00 C ATOM 834 C ASP A 56 6.324 3.499 4.386 1.00 10.00 C ATOM 835 O ASP A 56 6.933 2.452 4.194 1.00 10.00 O ATOM 836 CB ASP A 56 6.333 5.108 6.301 1.00 10.00 C ATOM 837 CG ASP A 56 7.028 6.266 6.988 1.00 10.00 C ATOM 838 OD1 ASP A 56 8.200 6.092 7.375 1.00 10.00 O ATOM 839 OD2 ASP A 56 6.366 7.323 7.073 1.00 10.00 O ATOM 0 H ASP A 56 6.392 6.545 4.300 1.00 10.00 H new ATOM 0 HA ASP A 56 8.062 4.431 5.248 1.00 10.00 H new ATOM 0 HB2 ASP A 56 5.302 5.385 6.082 1.00 10.00 H new ATOM 0 HB3 ASP A 56 6.296 4.256 6.980 1.00 10.00 H new ATOM 844 N LEU A 57 5.040 3.636 4.047 1.00 10.00 N ATOM 845 CA LEU A 57 4.260 2.470 3.662 1.00 10.00 C ATOM 846 C LEU A 57 4.855 1.776 2.433 1.00 10.00 C ATOM 847 O LEU A 57 4.987 0.554 2.425 1.00 10.00 O ATOM 848 CB LEU A 57 2.768 2.794 3.563 1.00 10.00 C ATOM 849 CG LEU A 57 2.404 3.785 2.453 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.153 3.067 1.121 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.178 4.622 2.841 1.00 10.00 C ATOM 0 H LEU A 57 4.533 4.521 4.032 1.00 10.00 H new ATOM 0 HA LEU A 57 4.327 1.729 4.459 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.218 1.867 3.399 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.433 3.199 4.518 1.00 10.00 H new ATOM 0 HG LEU A 57 3.255 4.454 2.325 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.897 3.799 0.355 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.053 2.529 0.822 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.330 2.361 1.237 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.942 5.317 2.035 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.327 3.963 3.013 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.393 5.182 3.751 1.00 10.00 H new ATOM 863 N LYS A 58 5.294 2.530 1.418 1.00 10.00 N ATOM 864 CA LYS A 58 6.044 1.956 0.319 1.00 10.00 C ATOM 865 C LYS A 58 7.234 1.105 0.760 1.00 10.00 C ATOM 866 O LYS A 58 7.457 0.082 0.128 1.00 10.00 O ATOM 867 CB LYS A 58 6.399 3.033 -0.714 1.00 10.00 C ATOM 868 CG LYS A 58 7.610 3.891 -0.355 1.00 10.00 C ATOM 869 CD LYS A 58 8.900 3.296 -0.950 1.00 10.00 C ATOM 870 CE LYS A 58 10.176 3.863 -0.316 1.00 10.00 C ATOM 871 NZ LYS A 58 10.309 3.485 1.106 1.00 10.00 N ATOM 0 H LYS A 58 5.138 3.535 1.344 1.00 10.00 H new ATOM 0 HA LYS A 58 5.391 1.238 -0.177 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.586 2.549 -1.673 1.00 10.00 H new ATOM 0 HB3 LYS A 58 5.536 3.685 -0.849 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.466 4.905 -0.729 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.703 3.961 0.729 1.00 10.00 H new ATOM 0 HD2 LYS A 58 8.887 2.214 -0.819 1.00 10.00 H new ATOM 0 HD3 LYS A 58 8.919 3.487 -2.023 1.00 10.00 H new ATOM 0 HE2 LYS A 58 11.044 3.504 -0.868 1.00 10.00 H new ATOM 0 HE3 LYS A 58 10.170 4.950 -0.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 11.109 3.998 1.528 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.435 3.729 1.613 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.477 2.461 1.179 1.00 10.00 H new ATOM 885 N GLU A 59 7.982 1.465 1.819 1.00 10.00 N ATOM 886 CA GLU A 59 9.038 0.618 2.359 1.00 10.00 C ATOM 887 C GLU A 59 8.507 -0.786 2.622 1.00 10.00 C ATOM 888 O GLU A 59 9.181 -1.780 2.370 1.00 10.00 O ATOM 889 CB GLU A 59 9.564 1.230 3.662 1.00 10.00 C ATOM 890 CG GLU A 59 10.910 0.633 4.084 1.00 10.00 C ATOM 891 CD GLU A 59 10.772 -0.413 5.197 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.373 -0.009 6.310 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.046 -1.604 4.934 1.00 10.00 O ATOM 0 H GLU A 59 7.865 2.348 2.316 1.00 10.00 H new ATOM 0 HA GLU A 59 9.849 0.552 1.634 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.670 2.308 3.537 1.00 10.00 H new ATOM 0 HB3 GLU A 59 8.834 1.071 4.456 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.387 0.175 3.218 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.567 1.434 4.423 1.00 10.00 H new ATOM 900 N ALA A 60 7.272 -0.859 3.115 1.00 10.00 N ATOM 901 CA ALA A 60 6.685 -2.115 3.528 1.00 10.00 C ATOM 902 C ALA A 60 6.584 -3.052 2.320 1.00 10.00 C ATOM 903 O ALA A 60 6.976 -4.216 2.397 1.00 10.00 O ATOM 904 CB ALA A 60 5.344 -1.847 4.220 1.00 10.00 C ATOM 0 H ALA A 60 6.661 -0.051 3.235 1.00 10.00 H new ATOM 0 HA ALA A 60 7.314 -2.622 4.260 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.900 -2.792 4.532 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.505 -1.216 5.094 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.671 -1.342 3.527 1.00 10.00 H new ATOM 910 N VAL A 61 6.096 -2.517 1.198 1.00 10.00 N ATOM 911 CA VAL A 61 6.077 -3.217 -0.081 1.00 10.00 C ATOM 912 C VAL A 61 7.497 -3.451 -0.624 1.00 10.00 C ATOM 913 O VAL A 61 7.818 -4.559 -1.044 1.00 10.00 O ATOM 914 CB VAL A 61 5.178 -2.463 -1.073 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.297 -3.053 -2.481 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.717 -2.571 -0.630 1.00 10.00 C ATOM 0 H VAL A 61 5.701 -1.578 1.155 1.00 10.00 H new ATOM 0 HA VAL A 61 5.651 -4.210 0.066 1.00 10.00 H new ATOM 0 HB VAL A 61 5.499 -1.421 -1.090 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.650 -2.501 -3.163 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.330 -2.979 -2.820 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.995 -4.100 -2.463 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.082 -2.035 -1.336 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.422 -3.620 -0.601 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.605 -2.135 0.363 1.00 10.00 H new ATOM 926 N ASP A 62 8.355 -2.431 -0.591 1.00 10.00 N ATOM 927 CA ASP A 62 9.729 -2.483 -1.090 1.00 10.00 C ATOM 928 C ASP A 62 10.419 -3.718 -0.508 1.00 10.00 C ATOM 929 O ASP A 62 10.910 -4.592 -1.221 1.00 10.00 O ATOM 930 CB ASP A 62 10.464 -1.186 -0.689 1.00 10.00 C ATOM 931 CG ASP A 62 11.042 -0.404 -1.859 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.732 -1.028 -2.692 1.00 10.00 O ATOM 933 OD2 ASP A 62 10.785 0.822 -1.898 1.00 10.00 O ATOM 0 H ASP A 62 8.106 -1.520 -0.205 1.00 10.00 H new ATOM 0 HA ASP A 62 9.742 -2.559 -2.177 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.771 -0.544 -0.145 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.272 -1.438 -0.002 1.00 10.00 H new ATOM 938 N LYS A 63 10.377 -3.810 0.822 1.00 10.00 N ATOM 939 CA LYS A 63 10.946 -4.887 1.612 1.00 10.00 C ATOM 940 C LYS A 63 10.372 -6.248 1.208 1.00 10.00 C ATOM 941 O LYS A 63 11.078 -7.251 1.265 1.00 10.00 O ATOM 942 CB LYS A 63 10.676 -4.583 3.092 1.00 10.00 C ATOM 943 CG LYS A 63 11.523 -5.423 4.059 1.00 10.00 C ATOM 944 CD LYS A 63 12.972 -4.917 4.114 1.00 10.00 C ATOM 945 CE LYS A 63 13.786 -5.704 5.150 1.00 10.00 C ATOM 946 NZ LYS A 63 15.183 -5.228 5.230 1.00 10.00 N ATOM 0 H LYS A 63 9.923 -3.100 1.398 1.00 10.00 H new ATOM 0 HA LYS A 63 12.020 -4.945 1.434 1.00 10.00 H new ATOM 0 HB2 LYS A 63 10.869 -3.526 3.278 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.621 -4.756 3.303 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.084 -5.386 5.056 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.511 -6.466 3.744 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.434 -5.015 3.131 1.00 10.00 H new ATOM 0 HD3 LYS A 63 12.982 -3.857 4.366 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.314 -5.612 6.128 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.777 -6.763 4.890 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.699 -5.785 5.941 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 15.641 -5.339 4.303 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 15.193 -4.224 5.503 1.00 10.00 H new ATOM 960 N LEU A 64 9.090 -6.293 0.828 1.00 10.00 N ATOM 961 CA LEU A 64 8.437 -7.473 0.302 1.00 10.00 C ATOM 962 C LEU A 64 9.184 -8.024 -0.919 1.00 10.00 C ATOM 963 O LEU A 64 9.214 -9.238 -1.109 1.00 10.00 O ATOM 964 CB LEU A 64 6.975 -7.129 -0.057 1.00 10.00 C ATOM 965 CG LEU A 64 5.883 -8.006 0.555 1.00 10.00 C ATOM 966 CD1 LEU A 64 6.299 -9.470 0.602 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.533 -7.497 1.953 1.00 10.00 C ATOM 0 H LEU A 64 8.472 -5.484 0.884 1.00 10.00 H new ATOM 0 HA LEU A 64 8.447 -8.251 1.065 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.787 -6.098 0.241 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.874 -7.171 -1.142 1.00 10.00 H new ATOM 0 HG LEU A 64 4.999 -7.942 -0.080 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.497 -10.062 1.043 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.497 -9.825 -0.409 1.00 10.00 H new ATOM 0 HD13 LEU A 64 7.201 -9.573 1.206 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.754 -8.126 2.385 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.420 -7.532 2.586 1.00 10.00 H new ATOM 0 HD23 LEU A 64 5.175 -6.470 1.887 1.00 10.00 H new ATOM 979 N GLY A 65 9.775 -7.149 -1.743 1.00 10.00 N ATOM 980 CA GLY A 65 10.605 -7.542 -2.878 1.00 10.00 C ATOM 981 C GLY A 65 10.157 -6.921 -4.202 1.00 10.00 C ATOM 982 O GLY A 65 10.885 -7.010 -5.189 1.00 10.00 O ATOM 0 H GLY A 65 9.686 -6.139 -1.635 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.637 -7.253 -2.681 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.590 -8.628 -2.971 1.00 10.00 H new ATOM 986 N TYR A 66 8.971 -6.307 -4.241 1.00 10.00 N ATOM 987 CA TYR A 66 8.462 -5.555 -5.383 1.00 10.00 C ATOM 988 C TYR A 66 8.311 -4.111 -4.937 1.00 10.00 C ATOM 989 O TYR A 66 8.119 -3.867 -3.751 1.00 10.00 O ATOM 990 CB TYR A 66 7.131 -6.132 -5.880 1.00 10.00 C ATOM 991 CG TYR A 66 6.105 -6.490 -4.816 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.241 -7.678 -4.071 1.00 10.00 C ATOM 993 CD2 TYR A 66 4.954 -5.699 -4.650 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.229 -8.080 -3.185 1.00 10.00 C ATOM 995 CE2 TYR A 66 3.940 -6.103 -3.765 1.00 10.00 C ATOM 996 CZ TYR A 66 4.073 -7.300 -3.042 1.00 10.00 C ATOM 997 OH TYR A 66 3.062 -7.746 -2.244 1.00 10.00 O ATOM 0 H TYR A 66 8.322 -6.322 -3.454 1.00 10.00 H new ATOM 0 HA TYR A 66 9.153 -5.621 -6.223 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.679 -5.410 -6.560 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.344 -7.028 -6.463 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.129 -8.283 -4.182 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.849 -4.778 -5.204 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.341 -8.990 -2.614 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.058 -5.493 -3.641 1.00 10.00 H new ATOM 0 HH TYR A 66 3.390 -8.475 -1.677 1.00 10.00 H new ATOM 1007 N LYS A 67 8.430 -3.155 -5.859 1.00 10.00 N ATOM 1008 CA LYS A 67 8.472 -1.747 -5.491 1.00 10.00 C ATOM 1009 C LYS A 67 7.080 -1.128 -5.598 1.00 10.00 C ATOM 1010 O LYS A 67 6.217 -1.617 -6.331 1.00 10.00 O ATOM 1011 CB LYS A 67 9.519 -1.017 -6.343 1.00 10.00 C ATOM 1012 CG LYS A 67 10.089 0.219 -5.629 1.00 10.00 C ATOM 1013 CD LYS A 67 11.355 0.747 -6.320 1.00 10.00 C ATOM 1014 CE LYS A 67 11.175 1.023 -7.820 1.00 10.00 C ATOM 1015 NZ LYS A 67 9.977 1.832 -8.114 1.00 10.00 N ATOM 0 H LYS A 67 8.498 -3.333 -6.861 1.00 10.00 H new ATOM 0 HA LYS A 67 8.778 -1.645 -4.450 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.332 -1.703 -6.583 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.068 -0.713 -7.288 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.334 1.005 -5.605 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.319 -0.034 -4.594 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.670 1.666 -5.826 1.00 10.00 H new ATOM 0 HD3 LYS A 67 12.159 0.023 -6.188 1.00 10.00 H new ATOM 0 HE2 LYS A 67 12.058 1.539 -8.198 1.00 10.00 H new ATOM 0 HE3 LYS A 67 11.107 0.075 -8.353 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 10.203 2.533 -8.848 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 9.213 1.212 -8.451 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 9.669 2.323 -7.250 1.00 10.00 H new ATOM 1029 N LEU A 68 6.884 -0.041 -4.850 1.00 10.00 N ATOM 1030 CA LEU A 68 5.648 0.713 -4.763 1.00 10.00 C ATOM 1031 C LEU A 68 5.978 2.182 -5.002 1.00 10.00 C ATOM 1032 O LEU A 68 7.075 2.629 -4.658 1.00 10.00 O ATOM 1033 CB LEU A 68 5.064 0.521 -3.355 1.00 10.00 C ATOM 1034 CG LEU A 68 3.675 1.147 -3.182 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.693 0.316 -3.993 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.206 1.215 -1.730 1.00 10.00 C ATOM 0 H LEU A 68 7.622 0.350 -4.264 1.00 10.00 H new ATOM 0 HA LEU A 68 4.921 0.376 -5.502 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.004 -0.545 -3.137 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.745 0.958 -2.624 1.00 10.00 H new ATOM 0 HG LEU A 68 3.728 2.179 -3.527 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.692 0.735 -3.892 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.987 0.327 -5.043 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.696 -0.711 -3.626 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.216 1.670 -1.688 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.161 0.208 -1.315 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.906 1.816 -1.149 1.00 10.00 H new ATOM 1048 N LYS A 69 5.030 2.939 -5.554 1.00 10.00 N ATOM 1049 CA LYS A 69 5.103 4.381 -5.639 1.00 10.00 C ATOM 1050 C LYS A 69 3.693 4.938 -5.730 1.00 10.00 C ATOM 1051 O LYS A 69 2.819 4.237 -6.223 1.00 10.00 O ATOM 1052 CB LYS A 69 5.928 4.779 -6.870 1.00 10.00 C ATOM 1053 CG LYS A 69 6.684 6.088 -6.646 1.00 10.00 C ATOM 1054 CD LYS A 69 7.621 5.921 -5.441 1.00 10.00 C ATOM 1055 CE LYS A 69 8.852 6.835 -5.505 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.493 8.267 -5.425 1.00 10.00 N ATOM 0 H LYS A 69 4.178 2.551 -5.959 1.00 10.00 H new ATOM 0 HA LYS A 69 5.589 4.790 -4.753 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.637 3.985 -7.105 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.269 4.883 -7.732 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.257 6.349 -7.536 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.982 6.903 -6.468 1.00 10.00 H new ATOM 0 HD2 LYS A 69 7.067 6.131 -4.526 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.949 4.883 -5.384 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.529 6.586 -4.688 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.392 6.649 -6.434 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.357 8.845 -5.472 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.868 8.513 -6.219 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 8.001 8.452 -4.527 1.00 10.00 H new ATOM 1070 N LEU A 70 3.466 6.167 -5.251 1.00 10.00 N ATOM 1071 CA LEU A 70 2.155 6.796 -5.347 1.00 10.00 C ATOM 1072 C LEU A 70 1.783 6.982 -6.817 1.00 10.00 C ATOM 1073 O LEU A 70 2.647 7.128 -7.682 1.00 10.00 O ATOM 1074 CB LEU A 70 2.154 8.174 -4.671 1.00 10.00 C ATOM 1075 CG LEU A 70 0.808 8.643 -4.102 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.480 7.847 -2.840 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.901 10.128 -3.736 1.00 10.00 C ATOM 0 H LEU A 70 4.176 6.740 -4.795 1.00 10.00 H new ATOM 0 HA LEU A 70 1.434 6.150 -4.846 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.883 8.160 -3.861 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.497 8.913 -5.396 1.00 10.00 H new ATOM 0 HG LEU A 70 0.030 8.490 -4.849 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.476 8.181 -2.437 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.420 6.786 -3.084 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.262 8.005 -2.097 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.054 10.464 -3.332 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.682 10.270 -2.989 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.142 10.708 -4.627 1.00 10.00 H new ATOM 1089 N LYS A 71 0.482 7.038 -7.050 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.179 7.383 -8.281 1.00 10.00 C ATOM 1091 C LYS A 71 -0.987 8.649 -8.016 1.00 10.00 C ATOM 1092 O LYS A 71 -0.855 9.636 -8.735 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.076 6.207 -8.677 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.965 6.610 -9.846 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.504 5.364 -10.561 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.377 5.722 -11.769 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.628 6.487 -12.786 1.00 10.00 N ATOM 0 H LYS A 71 -0.190 6.823 -6.313 1.00 10.00 H new ATOM 0 HA LYS A 71 0.517 7.571 -9.098 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.465 5.347 -8.952 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.690 5.903 -7.829 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.795 7.219 -9.487 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.399 7.223 -10.547 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.669 4.746 -10.889 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.086 4.767 -9.859 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.767 4.808 -12.217 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -4.235 6.306 -11.436 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.183 6.533 -13.664 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.452 7.450 -12.436 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -1.720 6.017 -12.975 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.830 8.610 -6.983 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.612 9.754 -6.562 1.00 10.00 C ATOM 1113 C GLY A 72 -3.626 9.307 -5.521 1.00 10.00 C ATOM 1114 O GLY A 72 -3.359 9.390 -4.325 1.00 10.00 O ATOM 0 H GLY A 72 -1.984 7.775 -6.417 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.960 10.523 -6.147 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.122 10.197 -7.418 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.769 8.802 -5.981 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.962 8.624 -5.179 1.00 10.00 C ATOM 1120 C GLU A 73 -6.860 7.612 -5.879 1.00 10.00 C ATOM 1121 O GLU A 73 -6.683 7.341 -7.067 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.682 9.969 -5.003 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.964 10.638 -6.358 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.804 11.902 -6.241 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.140 12.285 -5.101 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -8.098 12.449 -7.326 1.00 10.00 O ATOM 0 H GLU A 73 -4.887 8.500 -6.948 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.703 8.255 -4.187 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.620 9.814 -4.470 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.072 10.632 -4.389 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.017 10.882 -6.839 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.477 9.928 -7.007 1.00 10.00 H new