USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.58!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -1.02 X(o=-1,f=-0.67) USER MOD Single : B 54 ASN : amide:sc= -0.382 K(o=-0.38,f=-0.91) USER MOD Single : B 65 LYS NZ :NH3+ -148:sc= -0.195 (180deg=-0.728) USER MOD Single : B 66 MET CE :methyl 142:sc= -0.656 (180deg=-2.57!) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 16.697 4.577 -1.992 1.00 0.00 N ATOM 41 CA GLU A 4 15.508 3.872 -2.568 1.00 0.00 C ATOM 42 C GLU A 4 15.682 2.311 -2.535 1.00 0.00 C ATOM 43 O GLU A 4 14.712 1.561 -2.375 1.00 0.00 O ATOM 44 CB GLU A 4 15.057 4.483 -3.929 1.00 0.00 C ATOM 45 CG GLU A 4 16.072 4.685 -5.094 1.00 0.00 C ATOM 46 CD GLU A 4 15.389 4.940 -6.424 1.00 0.00 C ATOM 47 OE1 GLU A 4 14.994 3.959 -7.088 1.00 0.00 O ATOM 48 OE2 GLU A 4 15.378 6.085 -6.915 1.00 0.00 O ATOM 0 HA GLU A 4 14.652 4.054 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.254 3.853 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.622 5.458 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.727 5.524 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.704 3.801 -5.178 1.00 0.00 H new ATOM 55 N GLU A 5 16.923 1.818 -2.696 1.00 0.00 N ATOM 56 CA GLU A 5 17.197 0.376 -2.994 1.00 0.00 C ATOM 57 C GLU A 5 16.544 -0.620 -1.971 1.00 0.00 C ATOM 58 O GLU A 5 16.134 -1.730 -2.328 1.00 0.00 O ATOM 59 CB GLU A 5 18.734 0.180 -3.205 1.00 0.00 C ATOM 60 CG GLU A 5 19.323 -1.266 -3.145 1.00 0.00 C ATOM 61 CD GLU A 5 20.760 -1.395 -2.657 1.00 0.00 C ATOM 62 OE1 GLU A 5 21.694 -1.204 -3.464 1.00 0.00 O ATOM 63 OE2 GLU A 5 20.965 -1.730 -1.473 1.00 0.00 O ATOM 0 H GLU A 5 17.765 2.390 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 5 16.697 0.112 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.990 0.601 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 5 19.249 0.778 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.687 -1.867 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.261 -1.701 -4.142 1.00 0.00 H new ATOM 70 N GLU A 6 16.386 -0.194 -0.704 1.00 0.00 N ATOM 71 CA GLU A 6 15.937 -1.080 0.415 1.00 0.00 C ATOM 72 C GLU A 6 14.376 -1.197 0.547 1.00 0.00 C ATOM 73 O GLU A 6 13.812 -2.296 0.554 1.00 0.00 O ATOM 74 CB GLU A 6 16.672 -0.663 1.731 1.00 0.00 C ATOM 75 CG GLU A 6 16.028 -1.037 3.104 1.00 0.00 C ATOM 76 CD GLU A 6 16.924 -0.914 4.330 1.00 0.00 C ATOM 77 OE1 GLU A 6 16.972 0.174 4.939 1.00 0.00 O ATOM 78 OE2 GLU A 6 17.570 -1.913 4.706 1.00 0.00 O ATOM 0 H GLU A 6 16.562 0.768 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 6 16.229 -2.104 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.670 -1.101 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.798 0.419 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.154 -0.403 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.670 -2.065 3.044 1.00 0.00 H new ATOM 85 N LEU A 7 13.680 -0.055 0.691 1.00 0.00 N ATOM 86 CA LEU A 7 12.225 0.069 0.361 1.00 0.00 C ATOM 87 C LEU A 7 11.911 -0.444 -1.090 1.00 0.00 C ATOM 88 O LEU A 7 10.750 -0.653 -1.459 1.00 0.00 O ATOM 89 CB LEU A 7 11.762 1.543 0.578 1.00 0.00 C ATOM 90 CG LEU A 7 11.688 2.077 2.034 1.00 0.00 C ATOM 91 CD1 LEU A 7 12.896 2.979 2.333 1.00 0.00 C ATOM 92 CD2 LEU A 7 10.396 2.861 2.322 1.00 0.00 C ATOM 0 H LEU A 7 14.095 0.810 1.036 1.00 0.00 H new ATOM 0 HA LEU A 7 11.657 -0.571 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.437 2.191 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.773 1.652 0.132 1.00 0.00 H new ATOM 0 HG LEU A 7 11.695 1.200 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.831 3.346 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.816 2.408 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.899 3.824 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.404 3.208 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.334 3.718 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.534 2.213 2.163 1.00 0.00 H new ATOM 104 N ALA A 8 12.951 -0.637 -1.921 1.00 0.00 N ATOM 105 CA ALA A 8 12.830 -1.344 -3.236 1.00 0.00 C ATOM 106 C ALA A 8 12.726 -2.908 -3.134 1.00 0.00 C ATOM 107 O ALA A 8 11.804 -3.528 -3.675 1.00 0.00 O ATOM 108 CB ALA A 8 14.047 -0.882 -4.065 1.00 0.00 C ATOM 0 H ALA A 8 13.897 -0.315 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 8 11.886 -1.080 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.024 -1.361 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.012 0.200 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.966 -1.158 -3.548 1.00 0.00 H new ATOM 114 N ASN A 9 13.645 -3.542 -2.380 1.00 0.00 N ATOM 115 CA ASN A 9 13.525 -4.981 -1.984 1.00 0.00 C ATOM 116 C ASN A 9 12.231 -5.287 -1.149 1.00 0.00 C ATOM 117 O ASN A 9 11.558 -6.302 -1.358 1.00 0.00 O ATOM 118 CB ASN A 9 14.827 -5.385 -1.223 1.00 0.00 C ATOM 119 CG ASN A 9 16.069 -5.612 -2.089 1.00 0.00 C ATOM 120 OD1 ASN A 9 15.972 -5.878 -3.281 1.00 0.00 O ATOM 121 ND2 ASN A 9 17.249 -5.507 -1.535 1.00 0.00 N ATOM 0 H ASN A 9 14.487 -3.088 -2.026 1.00 0.00 H new ATOM 0 HA ASN A 9 13.418 -5.586 -2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 9 15.054 -4.607 -0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.628 -6.298 -0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.090 -5.647 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.329 -5.285 -0.543 1.00 0.00 H new ATOM 128 N ALA A 10 11.903 -4.423 -0.172 1.00 0.00 N ATOM 129 CA ALA A 10 10.665 -4.535 0.660 1.00 0.00 C ATOM 130 C ALA A 10 9.320 -4.375 -0.136 1.00 0.00 C ATOM 131 O ALA A 10 8.303 -4.995 0.193 1.00 0.00 O ATOM 132 CB ALA A 10 10.824 -3.482 1.776 1.00 0.00 C ATOM 0 H ALA A 10 12.483 -3.621 0.073 1.00 0.00 H new ATOM 0 HA ALA A 10 10.577 -5.545 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.950 -3.507 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.718 -3.703 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.917 -2.491 1.331 1.00 0.00 H new ATOM 138 N PHE A 11 9.301 -3.488 -1.147 1.00 0.00 N ATOM 139 CA PHE A 11 8.117 -3.263 -2.033 1.00 0.00 C ATOM 140 C PHE A 11 7.891 -4.452 -3.034 1.00 0.00 C ATOM 141 O PHE A 11 6.754 -4.794 -3.378 1.00 0.00 O ATOM 142 CB PHE A 11 8.294 -1.898 -2.781 1.00 0.00 C ATOM 143 CG PHE A 11 7.202 -1.467 -3.784 1.00 0.00 C ATOM 144 CD1 PHE A 11 5.881 -1.889 -3.599 1.00 0.00 C ATOM 145 CD2 PHE A 11 7.505 -0.631 -4.868 1.00 0.00 C ATOM 146 CE1 PHE A 11 4.888 -1.518 -4.502 1.00 0.00 C ATOM 147 CE2 PHE A 11 6.504 -0.240 -5.757 1.00 0.00 C ATOM 148 CZ PHE A 11 5.204 -0.711 -5.591 1.00 0.00 C ATOM 0 H PHE A 11 10.101 -2.901 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 11 7.219 -3.220 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.382 -1.115 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.243 -1.933 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.630 -2.507 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.518 -0.288 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.873 -1.856 -4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.737 0.427 -6.573 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.440 -0.450 -6.308 1.00 0.00 H new ATOM 158 N ARG A 12 8.981 -5.078 -3.511 1.00 0.00 N ATOM 159 CA ARG A 12 8.956 -6.441 -4.127 1.00 0.00 C ATOM 160 C ARG A 12 8.478 -7.556 -3.128 1.00 0.00 C ATOM 161 O ARG A 12 7.676 -8.429 -3.478 1.00 0.00 O ATOM 162 CB ARG A 12 10.350 -6.755 -4.750 1.00 0.00 C ATOM 163 CG ARG A 12 10.692 -5.933 -6.020 1.00 0.00 C ATOM 164 CD ARG A 12 9.456 -5.589 -6.864 1.00 0.00 C ATOM 165 NE ARG A 12 9.707 -4.279 -7.528 1.00 0.00 N ATOM 166 CZ ARG A 12 10.061 -4.107 -8.793 1.00 0.00 C ATOM 167 NH1 ARG A 12 10.210 -5.089 -9.639 1.00 0.00 N ATOM 168 NH2 ARG A 12 10.271 -2.900 -9.209 1.00 0.00 N ATOM 0 H ARG A 12 9.912 -4.663 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 12 8.211 -6.441 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.118 -6.573 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.391 -7.816 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.192 -5.010 -5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.397 -6.496 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.273 -6.365 -7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.567 -5.534 -6.235 1.00 0.00 H new ATOM 0 HE ARG A 12 9.596 -3.440 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.052 -6.050 -9.337 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.485 -4.895 -10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.163 -2.114 -8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.545 -2.735 -10.178 1.00 0.00 H new ATOM 182 N ILE A 13 8.993 -7.540 -1.887 1.00 0.00 N ATOM 183 CA ILE A 13 8.933 -8.691 -0.931 1.00 0.00 C ATOM 184 C ILE A 13 7.516 -8.761 -0.255 1.00 0.00 C ATOM 185 O ILE A 13 7.000 -9.842 0.048 1.00 0.00 O ATOM 186 CB ILE A 13 10.117 -8.636 0.121 1.00 0.00 C ATOM 187 CG1 ILE A 13 11.531 -8.957 -0.462 1.00 0.00 C ATOM 188 CG2 ILE A 13 9.873 -9.582 1.333 1.00 0.00 C ATOM 189 CD1 ILE A 13 12.059 -10.383 -0.205 1.00 0.00 C ATOM 0 H ILE A 13 9.471 -6.725 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 13 9.073 -9.618 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 13 10.116 -7.593 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.505 -8.789 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.244 -8.246 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.711 -9.509 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.955 -9.291 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.782 -10.609 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.046 -10.492 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.127 -10.558 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.377 -11.109 -0.648 1.00 0.00 H new ATOM 201 N PHE A 14 6.879 -7.596 -0.033 1.00 0.00 N ATOM 202 CA PHE A 14 5.430 -7.507 0.330 1.00 0.00 C ATOM 203 C PHE A 14 4.550 -8.242 -0.744 1.00 0.00 C ATOM 204 O PHE A 14 3.542 -8.880 -0.419 1.00 0.00 O ATOM 205 CB PHE A 14 5.024 -6.005 0.452 1.00 0.00 C ATOM 206 CG PHE A 14 5.361 -5.287 1.774 1.00 0.00 C ATOM 207 CD1 PHE A 14 5.854 -6.016 2.861 1.00 0.00 C ATOM 208 CD2 PHE A 14 5.203 -3.902 1.895 1.00 0.00 C ATOM 209 CE1 PHE A 14 6.173 -5.373 4.054 1.00 0.00 C ATOM 210 CE2 PHE A 14 5.524 -3.258 3.088 1.00 0.00 C ATOM 211 CZ PHE A 14 6.005 -3.993 4.167 1.00 0.00 C ATOM 0 H PHE A 14 7.340 -6.689 -0.097 1.00 0.00 H new ATOM 0 HA PHE A 14 5.263 -7.999 1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.504 -5.459 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.948 -5.932 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.988 -7.084 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.830 -3.329 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.550 -5.942 4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.400 -2.189 3.175 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.249 -3.494 5.093 1.00 0.00 H new ATOM 221 N ASP A 15 4.897 -8.099 -2.035 1.00 0.00 N ATOM 222 CA ASP A 15 4.024 -8.516 -3.179 1.00 0.00 C ATOM 223 C ASP A 15 4.061 -10.063 -3.440 1.00 0.00 C ATOM 224 O ASP A 15 5.124 -10.694 -3.412 1.00 0.00 O ATOM 225 CB ASP A 15 4.424 -7.637 -4.404 1.00 0.00 C ATOM 226 CG ASP A 15 3.582 -7.801 -5.668 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.595 -8.564 -5.630 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.878 -7.158 -6.698 1.00 0.00 O ATOM 0 H ASP A 15 5.786 -7.694 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 15 2.973 -8.341 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.383 -6.591 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.462 -7.855 -4.655 1.00 0.00 H new ATOM 233 N LYS A 16 2.897 -10.675 -3.725 1.00 0.00 N ATOM 234 CA LYS A 16 2.813 -12.058 -4.292 1.00 0.00 C ATOM 235 C LYS A 16 3.399 -12.057 -5.749 1.00 0.00 C ATOM 236 O LYS A 16 4.401 -12.720 -6.038 1.00 0.00 O ATOM 237 CB LYS A 16 1.348 -12.611 -4.219 1.00 0.00 C ATOM 238 CG LYS A 16 0.427 -12.422 -5.463 1.00 0.00 C ATOM 239 CD LYS A 16 -0.527 -11.213 -5.372 1.00 0.00 C ATOM 240 CE LYS A 16 -1.995 -11.476 -5.735 1.00 0.00 C ATOM 241 NZ LYS A 16 -2.798 -11.196 -4.507 1.00 0.00 N ATOM 0 H LYS A 16 1.987 -10.239 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 16 3.416 -12.740 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.405 -13.678 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.857 -12.142 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.052 -12.310 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.165 -13.327 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.491 -10.824 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.148 -10.428 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.311 -10.835 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.134 -12.507 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.805 -11.361 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.489 -11.825 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.660 -10.206 -4.220 1.00 0.00 H new ATOM 255 N ASN A 17 2.757 -11.324 -6.677 1.00 0.00 N ATOM 256 CA ASN A 17 2.854 -11.587 -8.148 1.00 0.00 C ATOM 257 C ASN A 17 4.015 -10.817 -8.874 1.00 0.00 C ATOM 258 O ASN A 17 4.617 -11.317 -9.829 1.00 0.00 O ATOM 259 CB ASN A 17 1.472 -11.283 -8.807 1.00 0.00 C ATOM 260 CG ASN A 17 1.278 -11.384 -10.332 1.00 0.00 C ATOM 261 OD1 ASN A 17 2.229 -11.618 -11.065 1.00 0.00 O ATOM 262 ND2 ASN A 17 0.093 -11.219 -10.863 1.00 0.00 N ATOM 0 H ASN A 17 2.156 -10.534 -6.443 1.00 0.00 H new ATOM 0 HA ASN A 17 3.112 -12.639 -8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.746 -11.954 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.197 -10.269 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.027 -11.286 -11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.711 -11.023 -10.266 1.00 0.00 H new ATOM 269 N ALA A 18 4.284 -9.566 -8.459 1.00 0.00 N ATOM 270 CA ALA A 18 5.482 -8.785 -8.900 1.00 0.00 C ATOM 271 C ALA A 18 5.412 -8.255 -10.378 1.00 0.00 C ATOM 272 O ALA A 18 6.408 -8.262 -11.109 1.00 0.00 O ATOM 273 CB ALA A 18 6.690 -9.714 -8.658 1.00 0.00 C ATOM 0 H ALA A 18 3.685 -9.057 -7.809 1.00 0.00 H new ATOM 0 HA ALA A 18 5.555 -7.861 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.606 -9.206 -8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.748 -9.968 -7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.571 -10.626 -9.244 1.00 0.00 H new ATOM 279 N ASP A 19 4.215 -7.846 -10.833 1.00 0.00 N ATOM 280 CA ASP A 19 4.042 -6.863 -11.949 1.00 0.00 C ATOM 281 C ASP A 19 4.326 -5.381 -11.510 1.00 0.00 C ATOM 282 O ASP A 19 4.196 -4.448 -12.319 1.00 0.00 O ATOM 283 CB ASP A 19 2.627 -7.101 -12.560 1.00 0.00 C ATOM 284 CG ASP A 19 2.369 -6.481 -13.933 1.00 0.00 C ATOM 285 OD1 ASP A 19 3.334 -6.192 -14.673 1.00 0.00 O ATOM 286 OD2 ASP A 19 1.189 -6.273 -14.278 1.00 0.00 O ATOM 0 H ASP A 19 3.332 -8.180 -10.446 1.00 0.00 H new ATOM 0 HA ASP A 19 4.790 -7.027 -12.724 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.463 -8.176 -12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.884 -6.712 -11.864 1.00 0.00 H new ATOM 291 N GLY A 20 4.769 -5.151 -10.262 1.00 0.00 N ATOM 292 CA GLY A 20 5.324 -3.829 -9.818 1.00 0.00 C ATOM 293 C GLY A 20 4.328 -2.916 -9.018 1.00 0.00 C ATOM 294 O GLY A 20 4.712 -1.874 -8.474 1.00 0.00 O ATOM 0 H GLY A 20 4.760 -5.859 -9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.201 -4.012 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.664 -3.283 -10.698 1.00 0.00 H new ATOM 298 N TYR A 21 3.057 -3.339 -8.890 1.00 0.00 N ATOM 299 CA TYR A 21 1.979 -2.532 -8.238 1.00 0.00 C ATOM 300 C TYR A 21 1.399 -3.253 -6.968 1.00 0.00 C ATOM 301 O TYR A 21 1.458 -4.483 -6.849 1.00 0.00 O ATOM 302 CB TYR A 21 0.810 -2.246 -9.239 1.00 0.00 C ATOM 303 CG TYR A 21 1.153 -1.470 -10.527 1.00 0.00 C ATOM 304 CD1 TYR A 21 2.130 -0.476 -10.536 1.00 0.00 C ATOM 305 CD2 TYR A 21 0.466 -1.773 -11.712 1.00 0.00 C ATOM 306 CE1 TYR A 21 2.404 0.233 -11.708 1.00 0.00 C ATOM 307 CE2 TYR A 21 0.744 -1.064 -12.878 1.00 0.00 C ATOM 308 CZ TYR A 21 1.698 -0.059 -12.874 1.00 0.00 C ATOM 309 OH TYR A 21 1.951 0.640 -14.026 1.00 0.00 O ATOM 0 H TYR A 21 2.737 -4.246 -9.231 1.00 0.00 H new ATOM 0 HA TYR A 21 2.435 -1.591 -7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.372 -3.202 -9.528 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.039 -1.690 -8.706 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.678 -0.253 -9.632 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.278 -2.556 -11.720 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.160 1.004 -11.711 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.214 -1.298 -13.789 1.00 0.00 H new ATOM 0 HH TYR A 21 1.372 0.308 -14.744 1.00 0.00 H new ATOM 319 N ILE A 22 0.882 -2.485 -5.992 1.00 0.00 N ATOM 320 CA ILE A 22 0.031 -3.011 -4.879 1.00 0.00 C ATOM 321 C ILE A 22 -1.477 -2.653 -5.131 1.00 0.00 C ATOM 322 O ILE A 22 -1.820 -1.508 -5.445 1.00 0.00 O ATOM 323 CB ILE A 22 0.547 -2.528 -3.460 1.00 0.00 C ATOM 324 CG1 ILE A 22 2.066 -2.781 -3.193 1.00 0.00 C ATOM 325 CG2 ILE A 22 -0.257 -3.168 -2.290 1.00 0.00 C ATOM 326 CD1 ILE A 22 2.518 -2.686 -1.722 1.00 0.00 C ATOM 0 H ILE A 22 1.036 -1.478 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 22 0.112 -4.098 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 22 0.387 -1.450 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.320 -3.773 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.642 -2.063 -3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.134 -2.806 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.308 -2.894 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.160 -4.253 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.589 -2.879 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.306 -1.687 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.979 -3.424 -1.127 1.00 0.00 H new ATOM 338 N ASP A 23 -2.387 -3.629 -4.956 1.00 0.00 N ATOM 339 CA ASP A 23 -3.860 -3.420 -5.127 1.00 0.00 C ATOM 340 C ASP A 23 -4.618 -3.282 -3.758 1.00 0.00 C ATOM 341 O ASP A 23 -4.046 -3.488 -2.682 1.00 0.00 O ATOM 342 CB ASP A 23 -4.387 -4.558 -6.053 1.00 0.00 C ATOM 343 CG ASP A 23 -4.321 -5.982 -5.498 1.00 0.00 C ATOM 344 OD1 ASP A 23 -5.101 -6.301 -4.579 1.00 0.00 O ATOM 345 OD2 ASP A 23 -3.520 -6.802 -5.997 1.00 0.00 O ATOM 0 H ASP A 23 -2.137 -4.583 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.060 -2.462 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.425 -4.339 -6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.820 -4.529 -6.984 1.00 0.00 H new ATOM 350 N ILE A 24 -5.897 -2.864 -3.801 1.00 0.00 N ATOM 351 CA ILE A 24 -6.731 -2.638 -2.579 1.00 0.00 C ATOM 352 C ILE A 24 -6.991 -3.998 -1.835 1.00 0.00 C ATOM 353 O ILE A 24 -7.292 -4.019 -0.634 1.00 0.00 O ATOM 354 CB ILE A 24 -8.070 -1.853 -2.908 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.555 -0.882 -1.784 1.00 0.00 C ATOM 356 CG2 ILE A 24 -9.246 -2.812 -3.253 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.909 -0.187 -2.032 1.00 0.00 C ATOM 0 H ILE A 24 -6.390 -2.671 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.173 -1.994 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.797 -1.251 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.621 -1.442 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.795 -0.114 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.140 -2.228 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.983 -3.411 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.440 -3.470 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.145 0.462 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.851 0.409 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.690 -0.940 -2.140 1.00 0.00 H new ATOM 369 N GLU A 25 -6.942 -5.134 -2.554 1.00 0.00 N ATOM 370 CA GLU A 25 -6.945 -6.497 -1.935 1.00 0.00 C ATOM 371 C GLU A 25 -5.656 -6.809 -1.091 1.00 0.00 C ATOM 372 O GLU A 25 -5.724 -7.364 0.011 1.00 0.00 O ATOM 373 CB GLU A 25 -7.278 -7.564 -3.029 1.00 0.00 C ATOM 374 CG GLU A 25 -8.241 -7.173 -4.194 1.00 0.00 C ATOM 375 CD GLU A 25 -8.503 -8.245 -5.245 1.00 0.00 C ATOM 376 OE1 GLU A 25 -7.727 -8.335 -6.218 1.00 0.00 O ATOM 377 OE2 GLU A 25 -9.459 -9.031 -5.084 1.00 0.00 O ATOM 0 H GLU A 25 -6.899 -5.147 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.736 -6.536 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.336 -7.886 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.705 -8.431 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.197 -6.877 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.832 -6.296 -4.695 1.00 0.00 H new ATOM 384 N GLU A 26 -4.478 -6.387 -1.591 1.00 0.00 N ATOM 385 CA GLU A 26 -3.176 -6.562 -0.875 1.00 0.00 C ATOM 386 C GLU A 26 -3.044 -5.690 0.426 1.00 0.00 C ATOM 387 O GLU A 26 -2.537 -6.146 1.457 1.00 0.00 O ATOM 388 CB GLU A 26 -1.999 -6.394 -1.892 1.00 0.00 C ATOM 389 CG GLU A 26 -2.138 -7.024 -3.313 1.00 0.00 C ATOM 390 CD GLU A 26 -0.903 -7.722 -3.871 1.00 0.00 C ATOM 391 OE1 GLU A 26 0.216 -7.449 -3.392 1.00 0.00 O ATOM 392 OE2 GLU A 26 -1.041 -8.517 -4.823 1.00 0.00 O ATOM 0 H GLU A 26 -4.390 -5.918 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.132 -7.578 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.823 -5.326 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.103 -6.811 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.955 -7.745 -3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.428 -6.237 -4.008 1.00 0.00 H new ATOM 399 N LEU A 27 -3.459 -4.413 0.354 1.00 0.00 N ATOM 400 CA LEU A 27 -3.328 -3.416 1.462 1.00 0.00 C ATOM 401 C LEU A 27 -3.810 -4.000 2.837 1.00 0.00 C ATOM 402 O LEU A 27 -3.013 -4.212 3.759 1.00 0.00 O ATOM 403 CB LEU A 27 -4.093 -2.110 1.068 1.00 0.00 C ATOM 404 CG LEU A 27 -4.102 -0.926 2.069 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.449 -0.862 2.808 1.00 0.00 C ATOM 406 CD2 LEU A 27 -2.968 -1.006 3.105 1.00 0.00 C ATOM 0 H LEU A 27 -3.902 -4.027 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.274 -3.174 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.670 -1.748 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.129 -2.381 0.866 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.947 -0.024 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.441 -0.026 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.254 -0.723 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.608 -1.791 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.028 -0.150 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.065 -1.926 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.006 -0.999 2.593 1.00 0.00 H new ATOM 418 N GLY A 28 -5.130 -4.200 3.000 1.00 0.00 N ATOM 419 CA GLY A 28 -5.712 -5.066 4.074 1.00 0.00 C ATOM 420 C GLY A 28 -4.784 -6.236 4.565 1.00 0.00 C ATOM 421 O GLY A 28 -4.493 -6.365 5.759 1.00 0.00 O ATOM 0 H GLY A 28 -5.834 -3.772 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.962 -4.438 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.646 -5.493 3.708 1.00 0.00 H new ATOM 425 N GLU A 29 -4.280 -7.060 3.631 1.00 0.00 N ATOM 426 CA GLU A 29 -3.515 -8.307 3.946 1.00 0.00 C ATOM 427 C GLU A 29 -2.064 -8.043 4.487 1.00 0.00 C ATOM 428 O GLU A 29 -1.508 -8.841 5.249 1.00 0.00 O ATOM 429 CB GLU A 29 -3.585 -9.280 2.723 1.00 0.00 C ATOM 430 CG GLU A 29 -4.980 -9.812 2.265 1.00 0.00 C ATOM 431 CD GLU A 29 -4.978 -10.843 1.142 1.00 0.00 C ATOM 432 OE1 GLU A 29 -4.088 -10.785 0.268 1.00 0.00 O ATOM 433 OE2 GLU A 29 -5.861 -11.724 1.133 1.00 0.00 O ATOM 0 H GLU A 29 -4.385 -6.891 2.630 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.994 -8.802 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.129 -8.774 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.961 -10.144 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.479 -10.250 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.582 -8.961 1.946 1.00 0.00 H new ATOM 440 N ILE A 30 -1.434 -6.935 4.057 1.00 0.00 N ATOM 441 CA ILE A 30 -0.199 -6.386 4.702 1.00 0.00 C ATOM 442 C ILE A 30 -0.490 -6.006 6.199 1.00 0.00 C ATOM 443 O ILE A 30 0.138 -6.518 7.132 1.00 0.00 O ATOM 444 CB ILE A 30 0.417 -5.184 3.871 1.00 0.00 C ATOM 445 CG1 ILE A 30 0.967 -5.574 2.461 1.00 0.00 C ATOM 446 CG2 ILE A 30 1.553 -4.454 4.644 1.00 0.00 C ATOM 447 CD1 ILE A 30 1.974 -6.741 2.429 1.00 0.00 C ATOM 0 H ILE A 30 -1.754 -6.388 3.258 1.00 0.00 H new ATOM 0 HA ILE A 30 0.564 -7.164 4.705 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.436 -4.522 3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.123 -5.831 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.443 -4.697 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.943 -3.639 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.158 -4.052 5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.355 -5.159 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.287 -6.923 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.844 -6.487 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.503 -7.639 2.829 1.00 0.00 H new ATOM 459 N LEU A 31 -1.425 -5.060 6.422 1.00 0.00 N ATOM 460 CA LEU A 31 -1.786 -4.577 7.792 1.00 0.00 C ATOM 461 C LEU A 31 -2.117 -5.779 8.754 1.00 0.00 C ATOM 462 O LEU A 31 -1.843 -5.729 9.958 1.00 0.00 O ATOM 463 CB LEU A 31 -2.950 -3.539 7.703 1.00 0.00 C ATOM 464 CG LEU A 31 -3.028 -2.636 6.442 1.00 0.00 C ATOM 465 CD1 LEU A 31 -4.405 -2.774 5.773 1.00 0.00 C ATOM 466 CD2 LEU A 31 -2.769 -1.151 6.750 1.00 0.00 C ATOM 0 H LEU A 31 -1.952 -4.607 5.675 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.925 -4.069 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.890 -4.085 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.885 -2.889 8.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.240 -2.978 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.446 -2.136 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.564 -3.811 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.182 -2.473 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.837 -0.571 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.513 -0.792 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.773 -1.037 7.178 1.00 0.00 H new ATOM 478 N ARG A 32 -2.665 -6.878 8.205 1.00 0.00 N ATOM 479 CA ARG A 32 -3.322 -7.957 9.008 1.00 0.00 C ATOM 480 C ARG A 32 -2.363 -9.191 9.177 1.00 0.00 C ATOM 481 O ARG A 32 -2.363 -9.867 10.212 1.00 0.00 O ATOM 482 CB ARG A 32 -4.665 -8.214 8.265 1.00 0.00 C ATOM 483 CG ARG A 32 -5.520 -9.368 8.831 1.00 0.00 C ATOM 484 CD ARG A 32 -6.769 -8.845 9.566 1.00 0.00 C ATOM 485 NE ARG A 32 -7.472 -7.881 8.673 1.00 0.00 N ATOM 486 CZ ARG A 32 -8.182 -8.198 7.597 1.00 0.00 C ATOM 487 NH1 ARG A 32 -8.351 -9.419 7.171 1.00 0.00 N ATOM 488 NH2 ARG A 32 -8.741 -7.239 6.929 1.00 0.00 N ATOM 0 H ARG A 32 -2.672 -7.054 7.200 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.535 -7.695 10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.257 -7.299 8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.448 -8.424 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.825 -10.027 8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.918 -9.965 9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.430 -9.672 9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.484 -8.359 10.499 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.401 -6.891 8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.925 -10.198 7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.909 -9.595 6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.629 -6.272 7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.293 -7.451 6.098 1.00 0.00 H new ATOM 502 N ALA A 33 -1.516 -9.460 8.167 1.00 0.00 N ATOM 503 CA ALA A 33 -0.508 -10.567 8.212 1.00 0.00 C ATOM 504 C ALA A 33 0.989 -10.092 8.234 1.00 0.00 C ATOM 505 O ALA A 33 1.363 -9.117 7.572 1.00 0.00 O ATOM 506 CB ALA A 33 -0.829 -11.464 6.998 1.00 0.00 C ATOM 0 H ALA A 33 -1.500 -8.928 7.297 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.593 -11.107 9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.128 -12.298 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.846 -11.847 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.740 -10.881 6.081 1.00 0.00 H new ATOM 573 N GLU B 40 -14.506 -5.569 5.133 1.00 0.00 N ATOM 574 CA GLU B 40 -13.713 -4.998 3.999 1.00 0.00 C ATOM 575 C GLU B 40 -14.108 -3.524 3.626 1.00 0.00 C ATOM 576 O GLU B 40 -13.274 -2.730 3.178 1.00 0.00 O ATOM 577 CB GLU B 40 -13.733 -6.000 2.798 1.00 0.00 C ATOM 578 CG GLU B 40 -14.543 -5.624 1.518 1.00 0.00 C ATOM 579 CD GLU B 40 -14.897 -6.770 0.577 1.00 0.00 C ATOM 580 OE1 GLU B 40 -15.007 -7.923 1.041 1.00 0.00 O ATOM 581 OE2 GLU B 40 -15.101 -6.517 -0.628 1.00 0.00 O ATOM 0 HA GLU B 40 -12.678 -4.889 4.322 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -12.700 -6.173 2.496 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -14.121 -6.949 3.167 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -15.469 -5.140 1.830 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -13.971 -4.886 0.956 1.00 0.00 H new ATOM 588 N GLU B 41 -15.381 -3.148 3.845 1.00 0.00 N ATOM 589 CA GLU B 41 -15.900 -1.781 3.522 1.00 0.00 C ATOM 590 C GLU B 41 -15.301 -0.644 4.425 1.00 0.00 C ATOM 591 O GLU B 41 -15.189 0.514 4.008 1.00 0.00 O ATOM 592 CB GLU B 41 -17.463 -1.819 3.475 1.00 0.00 C ATOM 593 CG GLU B 41 -18.172 -1.924 2.088 1.00 0.00 C ATOM 594 CD GLU B 41 -19.287 -2.956 1.972 1.00 0.00 C ATOM 595 OE1 GLU B 41 -20.012 -3.172 2.964 1.00 0.00 O ATOM 596 OE2 GLU B 41 -19.468 -3.532 0.880 1.00 0.00 O ATOM 0 H GLU B 41 -16.084 -3.768 4.247 1.00 0.00 H new ATOM 0 HA GLU B 41 -15.546 -1.503 2.529 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -17.791 -2.666 4.078 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -17.830 -0.917 3.966 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -18.585 -0.946 1.841 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -17.417 -2.151 1.335 1.00 0.00 H new ATOM 603 N ASP B 42 -14.975 -0.963 5.690 1.00 0.00 N ATOM 604 CA ASP B 42 -14.086 -0.118 6.550 1.00 0.00 C ATOM 605 C ASP B 42 -12.655 0.077 5.933 1.00 0.00 C ATOM 606 O ASP B 42 -12.086 1.174 5.966 1.00 0.00 O ATOM 607 CB ASP B 42 -14.102 -0.735 7.981 1.00 0.00 C ATOM 608 CG ASP B 42 -15.373 -0.512 8.801 1.00 0.00 C ATOM 609 OD1 ASP B 42 -16.367 -1.226 8.563 1.00 0.00 O ATOM 610 OD2 ASP B 42 -15.402 0.395 9.662 1.00 0.00 O ATOM 0 H ASP B 42 -15.311 -1.806 6.155 1.00 0.00 H new ATOM 0 HA ASP B 42 -14.462 0.903 6.610 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -13.936 -1.809 7.892 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -13.259 -0.327 8.539 1.00 0.00 H new ATOM 615 N ILE B 43 -12.059 -1.000 5.390 1.00 0.00 N ATOM 616 CA ILE B 43 -10.749 -0.934 4.668 1.00 0.00 C ATOM 617 C ILE B 43 -10.875 -0.022 3.394 1.00 0.00 C ATOM 618 O ILE B 43 -9.950 0.715 3.038 1.00 0.00 O ATOM 619 CB ILE B 43 -10.181 -2.377 4.337 1.00 0.00 C ATOM 620 CG1 ILE B 43 -9.526 -3.118 5.547 1.00 0.00 C ATOM 621 CG2 ILE B 43 -9.146 -2.351 3.175 1.00 0.00 C ATOM 622 CD1 ILE B 43 -10.386 -3.218 6.823 1.00 0.00 C ATOM 0 H ILE B 43 -12.457 -1.938 5.432 1.00 0.00 H new ATOM 0 HA ILE B 43 -10.014 -0.474 5.329 1.00 0.00 H new ATOM 0 HB ILE B 43 -11.073 -2.933 4.047 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -9.262 -4.127 5.230 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -8.595 -2.609 5.799 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -8.786 -3.362 2.986 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -9.620 -1.960 2.275 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -8.306 -1.713 3.450 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -9.831 -3.751 7.595 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -10.629 -2.216 7.177 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -11.306 -3.757 6.600 1.00 0.00 H new ATOM 634 N GLU B 44 -12.013 -0.108 2.681 1.00 0.00 N ATOM 635 CA GLU B 44 -12.294 0.738 1.478 1.00 0.00 C ATOM 636 C GLU B 44 -12.391 2.275 1.794 1.00 0.00 C ATOM 637 O GLU B 44 -11.950 3.121 1.008 1.00 0.00 O ATOM 638 CB GLU B 44 -13.524 0.153 0.710 1.00 0.00 C ATOM 639 CG GLU B 44 -13.272 -0.700 -0.574 1.00 0.00 C ATOM 640 CD GLU B 44 -13.597 -0.034 -1.906 1.00 0.00 C ATOM 641 OE1 GLU B 44 -13.562 1.211 -1.985 1.00 0.00 O ATOM 642 OE2 GLU B 44 -13.892 -0.753 -2.882 1.00 0.00 O ATOM 0 H GLU B 44 -12.766 -0.757 2.910 1.00 0.00 H new ATOM 0 HA GLU B 44 -11.434 0.688 0.810 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -14.088 -0.463 1.410 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -14.167 0.988 0.431 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -12.223 -0.996 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -13.860 -1.615 -0.497 1.00 0.00 H new ATOM 649 N ASP B 45 -12.913 2.628 2.982 1.00 0.00 N ATOM 650 CA ASP B 45 -12.977 4.038 3.479 1.00 0.00 C ATOM 651 C ASP B 45 -11.563 4.616 3.847 1.00 0.00 C ATOM 652 O ASP B 45 -11.226 5.754 3.501 1.00 0.00 O ATOM 653 CB ASP B 45 -14.019 4.076 4.639 1.00 0.00 C ATOM 654 CG ASP B 45 -15.490 4.133 4.227 1.00 0.00 C ATOM 655 OD1 ASP B 45 -15.791 4.743 3.182 1.00 0.00 O ATOM 656 OD2 ASP B 45 -16.354 3.583 4.942 1.00 0.00 O ATOM 0 H ASP B 45 -13.307 1.951 3.635 1.00 0.00 H new ATOM 0 HA ASP B 45 -13.313 4.710 2.690 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -13.872 3.192 5.260 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -13.805 4.944 5.263 1.00 0.00 H new ATOM 661 N LEU B 46 -10.759 3.853 4.608 1.00 0.00 N ATOM 662 CA LEU B 46 -9.353 4.232 4.955 1.00 0.00 C ATOM 663 C LEU B 46 -8.431 4.449 3.703 1.00 0.00 C ATOM 664 O LEU B 46 -7.643 5.399 3.638 1.00 0.00 O ATOM 665 CB LEU B 46 -8.773 3.156 5.937 1.00 0.00 C ATOM 666 CG LEU B 46 -7.347 3.351 6.509 1.00 0.00 C ATOM 667 CD1 LEU B 46 -7.246 4.674 7.280 1.00 0.00 C ATOM 668 CD2 LEU B 46 -6.905 2.196 7.420 1.00 0.00 C ATOM 0 H LEU B 46 -11.051 2.959 5.004 1.00 0.00 H new ATOM 0 HA LEU B 46 -9.375 5.206 5.445 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -9.458 3.078 6.781 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -8.792 2.196 5.421 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.676 3.370 5.650 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -6.236 4.790 7.673 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -7.472 5.504 6.610 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -7.958 4.669 8.105 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.898 2.389 7.790 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -7.592 2.114 8.262 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -6.911 1.264 6.855 1.00 0.00 H new ATOM 680 N MET B 47 -8.516 3.544 2.709 1.00 0.00 N ATOM 681 CA MET B 47 -7.708 3.631 1.451 1.00 0.00 C ATOM 682 C MET B 47 -8.150 4.838 0.547 1.00 0.00 C ATOM 683 O MET B 47 -7.332 5.454 -0.145 1.00 0.00 O ATOM 684 CB MET B 47 -7.808 2.286 0.683 1.00 0.00 C ATOM 685 CG MET B 47 -6.809 2.121 -0.478 1.00 0.00 C ATOM 686 SD MET B 47 -7.520 2.763 -2.001 1.00 0.00 S ATOM 687 CE MET B 47 -6.271 2.165 -3.147 1.00 0.00 C ATOM 0 H MET B 47 -9.137 2.735 2.742 1.00 0.00 H new ATOM 0 HA MET B 47 -6.668 3.815 1.721 1.00 0.00 H new ATOM 0 HB2 MET B 47 -7.658 1.470 1.390 1.00 0.00 H new ATOM 0 HB3 MET B 47 -8.819 2.185 0.289 1.00 0.00 H new ATOM 0 HG2 MET B 47 -5.883 2.649 -0.249 1.00 0.00 H new ATOM 0 HG3 MET B 47 -6.554 1.069 -0.602 1.00 0.00 H new ATOM 0 HE1 MET B 47 -6.534 2.465 -4.161 1.00 0.00 H new ATOM 0 HE2 MET B 47 -5.302 2.589 -2.883 1.00 0.00 H new ATOM 0 HE3 MET B 47 -6.218 1.078 -3.093 1.00 0.00 H new ATOM 697 N LYS B 48 -9.462 5.133 0.505 1.00 0.00 N ATOM 698 CA LYS B 48 -10.029 6.341 -0.171 1.00 0.00 C ATOM 699 C LYS B 48 -9.579 7.647 0.581 1.00 0.00 C ATOM 700 O LYS B 48 -9.467 8.721 -0.020 1.00 0.00 O ATOM 701 CB LYS B 48 -11.577 6.141 -0.272 1.00 0.00 C ATOM 702 CG LYS B 48 -12.472 6.967 0.698 1.00 0.00 C ATOM 703 CD LYS B 48 -13.977 6.573 0.708 1.00 0.00 C ATOM 704 CE LYS B 48 -14.909 7.449 -0.159 1.00 0.00 C ATOM 705 NZ LYS B 48 -16.284 7.472 0.419 1.00 0.00 N ATOM 0 H LYS B 48 -10.173 4.544 0.938 1.00 0.00 H new ATOM 0 HA LYS B 48 -9.649 6.464 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -11.881 6.375 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -11.791 5.085 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.078 6.861 1.709 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -12.391 8.021 0.433 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.065 5.540 0.372 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -14.334 6.605 1.737 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.515 8.464 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -14.942 7.060 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.900 8.064 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -16.663 6.504 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -16.249 7.864 1.382 1.00 0.00 H new ATOM 719 N ASP B 49 -9.387 7.562 1.918 1.00 0.00 N ATOM 720 CA ASP B 49 -8.811 8.699 2.711 1.00 0.00 C ATOM 721 C ASP B 49 -7.364 9.086 2.237 1.00 0.00 C ATOM 722 O ASP B 49 -7.159 10.116 1.585 1.00 0.00 O ATOM 723 CB ASP B 49 -8.925 8.347 4.226 1.00 0.00 C ATOM 724 CG ASP B 49 -8.713 9.499 5.208 1.00 0.00 C ATOM 725 OD1 ASP B 49 -7.852 10.360 4.937 1.00 0.00 O ATOM 726 OD2 ASP B 49 -9.375 9.538 6.268 1.00 0.00 O ATOM 0 H ASP B 49 -9.615 6.737 2.473 1.00 0.00 H new ATOM 0 HA ASP B 49 -9.385 9.609 2.536 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -9.913 7.923 4.405 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -8.198 7.567 4.452 1.00 0.00 H new ATOM 731 N SER B 50 -6.366 8.222 2.509 1.00 0.00 N ATOM 732 CA SER B 50 -4.932 8.503 2.177 1.00 0.00 C ATOM 733 C SER B 50 -4.701 8.745 0.642 1.00 0.00 C ATOM 734 O SER B 50 -3.851 9.547 0.241 1.00 0.00 O ATOM 735 CB SER B 50 -4.060 7.314 2.685 1.00 0.00 C ATOM 736 OG SER B 50 -3.777 7.407 4.088 1.00 0.00 O ATOM 0 H SER B 50 -6.515 7.319 2.959 1.00 0.00 H new ATOM 0 HA SER B 50 -4.641 9.427 2.676 1.00 0.00 H new ATOM 0 HB2 SER B 50 -4.576 6.375 2.482 1.00 0.00 H new ATOM 0 HB3 SER B 50 -3.123 7.290 2.128 1.00 0.00 H new ATOM 0 HG SER B 50 -3.230 6.641 4.363 1.00 0.00 H new ATOM 742 N ASP B 51 -5.504 8.093 -0.218 1.00 0.00 N ATOM 743 CA ASP B 51 -5.305 8.110 -1.702 1.00 0.00 C ATOM 744 C ASP B 51 -5.755 9.465 -2.358 1.00 0.00 C ATOM 745 O ASP B 51 -6.747 10.077 -1.947 1.00 0.00 O ATOM 746 CB ASP B 51 -6.003 6.842 -2.280 1.00 0.00 C ATOM 747 CG ASP B 51 -5.728 6.526 -3.750 1.00 0.00 C ATOM 748 OD1 ASP B 51 -4.727 7.038 -4.291 1.00 0.00 O ATOM 749 OD2 ASP B 51 -6.502 5.770 -4.375 1.00 0.00 O ATOM 0 H ASP B 51 -6.307 7.540 0.080 1.00 0.00 H new ATOM 0 HA ASP B 51 -4.245 8.064 -1.950 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -5.699 5.982 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -7.079 6.955 -2.150 1.00 0.00 H new ATOM 754 N LYS B 52 -5.021 9.935 -3.382 1.00 0.00 N ATOM 755 CA LYS B 52 -5.568 10.850 -4.433 1.00 0.00 C ATOM 756 C LYS B 52 -6.764 10.154 -5.179 1.00 0.00 C ATOM 757 O LYS B 52 -7.402 9.237 -4.650 1.00 0.00 O ATOM 758 CB LYS B 52 -4.375 11.281 -5.349 1.00 0.00 C ATOM 759 CG LYS B 52 -4.144 12.808 -5.548 1.00 0.00 C ATOM 760 CD LYS B 52 -2.868 13.380 -4.865 1.00 0.00 C ATOM 761 CE LYS B 52 -2.309 14.688 -5.468 1.00 0.00 C ATOM 762 NZ LYS B 52 -2.826 15.867 -4.716 1.00 0.00 N ATOM 0 H LYS B 52 -4.037 9.701 -3.516 1.00 0.00 H new ATOM 0 HA LYS B 52 -5.997 11.760 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -3.461 10.852 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -4.524 10.831 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -4.088 13.014 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -5.013 13.344 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -3.090 13.554 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -2.087 12.621 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -1.220 14.676 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -2.594 14.764 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -2.442 16.740 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -3.864 15.885 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -2.532 15.800 -3.721 1.00 0.00 H new ATOM 776 N ASN B 53 -7.110 10.637 -6.386 1.00 0.00 N ATOM 777 CA ASN B 53 -8.352 10.220 -7.112 1.00 0.00 C ATOM 778 C ASN B 53 -8.245 8.785 -7.743 1.00 0.00 C ATOM 779 O ASN B 53 -9.026 7.884 -7.417 1.00 0.00 O ATOM 780 CB ASN B 53 -8.677 11.310 -8.181 1.00 0.00 C ATOM 781 CG ASN B 53 -7.485 11.847 -8.978 1.00 0.00 C ATOM 782 OD1 ASN B 53 -6.811 12.782 -8.561 1.00 0.00 O ATOM 783 ND2 ASN B 53 -7.177 11.271 -10.112 1.00 0.00 N ATOM 0 H ASN B 53 -6.550 11.322 -6.893 1.00 0.00 H new ATOM 0 HA ASN B 53 -9.171 10.145 -6.397 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -9.401 10.897 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.161 12.149 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -6.375 11.600 -10.650 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.739 10.493 -10.458 1.00 0.00 H new ATOM 790 N ASN B 54 -7.231 8.561 -8.599 1.00 0.00 N ATOM 791 CA ASN B 54 -6.690 7.200 -8.904 1.00 0.00 C ATOM 792 C ASN B 54 -7.758 6.224 -9.522 1.00 0.00 C ATOM 793 O ASN B 54 -8.575 5.635 -8.807 1.00 0.00 O ATOM 794 CB ASN B 54 -6.058 6.628 -7.597 1.00 0.00 C ATOM 795 CG ASN B 54 -4.695 7.204 -7.203 1.00 0.00 C ATOM 796 OD1 ASN B 54 -4.501 8.414 -7.177 1.00 0.00 O ATOM 797 ND2 ASN B 54 -3.716 6.378 -6.939 1.00 0.00 N ATOM 0 H ASN B 54 -6.756 9.309 -9.104 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.930 7.292 -9.680 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -6.754 6.799 -6.776 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -5.956 5.549 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -2.790 6.741 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -3.878 5.371 -6.961 1.00 0.00 H new ATOM 804 N ASP B 55 -7.701 6.007 -10.848 1.00 0.00 N ATOM 805 CA ASP B 55 -8.433 4.916 -11.563 1.00 0.00 C ATOM 806 C ASP B 55 -8.559 3.605 -10.707 1.00 0.00 C ATOM 807 O ASP B 55 -9.584 2.913 -10.744 1.00 0.00 O ATOM 808 CB ASP B 55 -7.742 4.725 -12.947 1.00 0.00 C ATOM 809 CG ASP B 55 -6.218 4.834 -12.964 1.00 0.00 C ATOM 810 OD1 ASP B 55 -5.568 4.582 -11.926 1.00 0.00 O ATOM 811 OD2 ASP B 55 -5.658 5.193 -14.019 1.00 0.00 O ATOM 0 H ASP B 55 -7.140 6.586 -11.473 1.00 0.00 H new ATOM 0 HA ASP B 55 -9.474 5.194 -11.728 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -8.019 3.745 -13.335 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.146 5.467 -13.636 1.00 0.00 H new ATOM 816 N GLY B 56 -7.543 3.295 -9.882 1.00 0.00 N ATOM 817 CA GLY B 56 -7.643 2.240 -8.822 1.00 0.00 C ATOM 818 C GLY B 56 -6.341 2.012 -7.975 1.00 0.00 C ATOM 819 O GLY B 56 -6.294 2.319 -6.777 1.00 0.00 O ATOM 0 H GLY B 56 -6.633 3.755 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -8.455 2.505 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -7.918 1.298 -9.296 1.00 0.00 H new ATOM 823 N ARG B 57 -5.265 1.507 -8.605 1.00 0.00 N ATOM 824 CA ARG B 57 -4.189 0.731 -7.913 1.00 0.00 C ATOM 825 C ARG B 57 -2.971 1.604 -7.436 1.00 0.00 C ATOM 826 O ARG B 57 -2.847 2.781 -7.790 1.00 0.00 O ATOM 827 CB ARG B 57 -3.748 -0.416 -8.867 1.00 0.00 C ATOM 828 CG ARG B 57 -4.784 -1.557 -9.004 1.00 0.00 C ATOM 829 CD ARG B 57 -4.493 -2.496 -10.185 1.00 0.00 C ATOM 830 NE ARG B 57 -4.955 -1.801 -11.419 1.00 0.00 N ATOM 831 CZ ARG B 57 -6.198 -1.624 -11.831 1.00 0.00 C ATOM 832 NH1 ARG B 57 -7.232 -2.119 -11.222 1.00 0.00 N ATOM 833 NH2 ARG B 57 -6.399 -0.924 -12.896 1.00 0.00 N ATOM 0 H ARG B 57 -5.106 1.618 -9.606 1.00 0.00 H new ATOM 0 HA ARG B 57 -4.596 0.327 -6.986 1.00 0.00 H new ATOM 0 HB2 ARG B 57 -3.551 0.002 -9.854 1.00 0.00 H new ATOM 0 HB3 ARG B 57 -2.809 -0.834 -8.505 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -4.801 -2.137 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -5.777 -1.125 -9.127 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -3.428 -2.721 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -5.013 -3.446 -10.060 1.00 0.00 H new ATOM 0 HE ARG B 57 -4.224 -1.416 -12.018 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -7.107 -2.678 -10.378 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -8.169 -1.949 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -5.608 -0.522 -13.399 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -7.349 -0.773 -13.235 1.00 0.00 H new ATOM 847 N ILE B 58 -2.095 1.031 -6.590 1.00 0.00 N ATOM 848 CA ILE B 58 -1.011 1.777 -5.874 1.00 0.00 C ATOM 849 C ILE B 58 0.392 1.399 -6.465 1.00 0.00 C ATOM 850 O ILE B 58 0.692 0.225 -6.708 1.00 0.00 O ATOM 851 CB ILE B 58 -1.102 1.569 -4.303 1.00 0.00 C ATOM 852 CG1 ILE B 58 -2.271 2.360 -3.629 1.00 0.00 C ATOM 853 CG2 ILE B 58 0.222 1.929 -3.569 1.00 0.00 C ATOM 854 CD1 ILE B 58 -2.360 2.268 -2.093 1.00 0.00 C ATOM 0 H ILE B 58 -2.108 0.034 -6.374 1.00 0.00 H new ATOM 0 HA ILE B 58 -1.150 2.845 -6.040 1.00 0.00 H new ATOM 0 HB ILE B 58 -1.300 0.502 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -2.177 3.410 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -3.212 2.004 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE B 58 0.100 1.767 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE B 58 1.028 1.297 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE B 58 0.467 2.975 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -3.208 2.856 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -2.493 1.227 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -1.442 2.656 -1.651 1.00 0.00 H new ATOM 866 N ASP B 59 1.284 2.394 -6.638 1.00 0.00 N ATOM 867 CA ASP B 59 2.699 2.178 -7.079 1.00 0.00 C ATOM 868 C ASP B 59 3.743 2.910 -6.162 1.00 0.00 C ATOM 869 O ASP B 59 3.375 3.631 -5.223 1.00 0.00 O ATOM 870 CB ASP B 59 2.779 2.564 -8.587 1.00 0.00 C ATOM 871 CG ASP B 59 2.576 4.041 -8.919 1.00 0.00 C ATOM 872 OD1 ASP B 59 1.437 4.547 -8.825 1.00 0.00 O ATOM 873 OD2 ASP B 59 3.563 4.709 -9.290 1.00 0.00 O ATOM 0 H ASP B 59 1.055 3.375 -6.479 1.00 0.00 H new ATOM 0 HA ASP B 59 2.978 1.130 -6.970 1.00 0.00 H new ATOM 0 HB2 ASP B 59 3.754 2.259 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP B 59 2.030 1.986 -9.128 1.00 0.00 H new ATOM 878 N PHE B 60 5.049 2.781 -6.458 1.00 0.00 N ATOM 879 CA PHE B 60 6.147 2.920 -5.449 1.00 0.00 C ATOM 880 C PHE B 60 6.092 4.298 -4.698 1.00 0.00 C ATOM 881 O PHE B 60 6.256 4.380 -3.476 1.00 0.00 O ATOM 882 CB PHE B 60 7.531 2.710 -6.146 1.00 0.00 C ATOM 883 CG PHE B 60 8.757 2.437 -5.243 1.00 0.00 C ATOM 884 CD1 PHE B 60 8.609 2.131 -3.884 1.00 0.00 C ATOM 885 CD2 PHE B 60 10.046 2.528 -5.781 1.00 0.00 C ATOM 886 CE1 PHE B 60 9.728 1.854 -3.097 1.00 0.00 C ATOM 887 CE2 PHE B 60 11.162 2.250 -4.995 1.00 0.00 C ATOM 888 CZ PHE B 60 11.002 1.911 -3.655 1.00 0.00 C ATOM 0 H PHE B 60 5.386 2.578 -7.399 1.00 0.00 H new ATOM 0 HA PHE B 60 6.009 2.150 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE B 60 7.434 1.875 -6.840 1.00 0.00 H new ATOM 0 HB3 PHE B 60 7.744 3.597 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE B 60 7.624 2.109 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE B 60 10.176 2.816 -6.814 1.00 0.00 H new ATOM 0 HE1 PHE B 60 9.605 1.596 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE B 60 12.151 2.298 -5.426 1.00 0.00 H new ATOM 0 HZ PHE B 60 11.867 1.692 -3.047 1.00 0.00 H new ATOM 898 N ASP B 61 5.784 5.388 -5.425 1.00 0.00 N ATOM 899 CA ASP B 61 5.358 6.683 -4.835 1.00 0.00 C ATOM 900 C ASP B 61 4.354 6.528 -3.639 1.00 0.00 C ATOM 901 O ASP B 61 4.688 6.708 -2.465 1.00 0.00 O ATOM 902 CB ASP B 61 4.766 7.492 -6.057 1.00 0.00 C ATOM 903 CG ASP B 61 5.348 7.208 -7.463 1.00 0.00 C ATOM 904 OD1 ASP B 61 6.582 7.050 -7.547 1.00 0.00 O ATOM 905 OD2 ASP B 61 4.587 7.177 -8.451 1.00 0.00 O ATOM 0 H ASP B 61 5.822 5.401 -6.444 1.00 0.00 H new ATOM 0 HA ASP B 61 6.191 7.208 -4.368 1.00 0.00 H new ATOM 0 HB2 ASP B 61 3.693 7.303 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP B 61 4.896 8.554 -5.849 1.00 0.00 H new ATOM 910 N GLU B 62 3.073 6.237 -3.979 1.00 0.00 N ATOM 911 CA GLU B 62 2.027 5.821 -2.995 1.00 0.00 C ATOM 912 C GLU B 62 2.589 4.995 -1.782 1.00 0.00 C ATOM 913 O GLU B 62 2.246 5.262 -0.621 1.00 0.00 O ATOM 914 CB GLU B 62 0.836 5.136 -3.748 1.00 0.00 C ATOM 915 CG GLU B 62 0.308 5.790 -5.064 1.00 0.00 C ATOM 916 CD GLU B 62 -0.033 7.273 -4.997 1.00 0.00 C ATOM 917 OE1 GLU B 62 0.883 8.112 -5.117 1.00 0.00 O ATOM 918 OE2 GLU B 62 -1.225 7.610 -4.849 1.00 0.00 O ATOM 0 H GLU B 62 2.731 6.282 -4.939 1.00 0.00 H new ATOM 0 HA GLU B 62 1.638 6.718 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.137 4.115 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -0.001 5.070 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.059 5.647 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -0.584 5.249 -5.380 1.00 0.00 H new ATOM 925 N PHE B 63 3.431 3.979 -2.041 1.00 0.00 N ATOM 926 CA PHE B 63 4.040 3.126 -0.970 1.00 0.00 C ATOM 927 C PHE B 63 4.786 3.980 0.116 1.00 0.00 C ATOM 928 O PHE B 63 4.686 3.722 1.321 1.00 0.00 O ATOM 929 CB PHE B 63 4.990 2.077 -1.634 1.00 0.00 C ATOM 930 CG PHE B 63 5.635 1.000 -0.730 1.00 0.00 C ATOM 931 CD1 PHE B 63 4.841 0.013 -0.136 1.00 0.00 C ATOM 932 CD2 PHE B 63 7.016 1.001 -0.485 1.00 0.00 C ATOM 933 CE1 PHE B 63 5.415 -0.957 0.682 1.00 0.00 C ATOM 934 CE2 PHE B 63 7.586 0.037 0.345 1.00 0.00 C ATOM 935 CZ PHE B 63 6.782 -0.932 0.939 1.00 0.00 C ATOM 0 H PHE B 63 3.715 3.717 -2.985 1.00 0.00 H new ATOM 0 HA PHE B 63 3.242 2.604 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE B 63 4.427 1.564 -2.413 1.00 0.00 H new ATOM 0 HB3 PHE B 63 5.794 2.622 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE B 63 3.776 0.003 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE B 63 7.642 1.753 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE B 63 4.798 -1.729 1.117 1.00 0.00 H new ATOM 0 HE2 PHE B 63 8.651 0.042 0.527 1.00 0.00 H new ATOM 0 HZ PHE B 63 7.220 -1.665 1.600 1.00 0.00 H new ATOM 945 N LEU B 64 5.555 4.996 -0.319 1.00 0.00 N ATOM 946 CA LEU B 64 6.328 5.899 0.590 1.00 0.00 C ATOM 947 C LEU B 64 5.380 6.775 1.485 1.00 0.00 C ATOM 948 O LEU B 64 5.612 6.952 2.685 1.00 0.00 O ATOM 949 CB LEU B 64 7.315 6.769 -0.252 1.00 0.00 C ATOM 950 CG LEU B 64 8.549 6.063 -0.875 1.00 0.00 C ATOM 951 CD1 LEU B 64 9.105 6.891 -2.044 1.00 0.00 C ATOM 952 CD2 LEU B 64 9.677 5.815 0.142 1.00 0.00 C ATOM 0 H LEU B 64 5.666 5.223 -1.307 1.00 0.00 H new ATOM 0 HA LEU B 64 6.911 5.288 1.279 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.749 7.230 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU B 64 7.677 7.577 0.385 1.00 0.00 H new ATOM 0 HG LEU B 64 8.199 5.092 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.970 6.383 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.336 7.003 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.404 7.875 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.511 5.319 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.013 6.767 0.552 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.307 5.183 0.949 1.00 0.00 H new ATOM 964 N LYS B 65 4.285 7.297 0.902 1.00 0.00 N ATOM 965 CA LYS B 65 3.337 8.217 1.607 1.00 0.00 C ATOM 966 C LYS B 65 2.437 7.383 2.589 1.00 0.00 C ATOM 967 O LYS B 65 2.135 7.817 3.706 1.00 0.00 O ATOM 968 CB LYS B 65 2.620 8.960 0.434 1.00 0.00 C ATOM 969 CG LYS B 65 3.456 9.401 -0.792 1.00 0.00 C ATOM 970 CD LYS B 65 4.011 10.830 -0.560 1.00 0.00 C ATOM 971 CE LYS B 65 3.032 11.996 -0.765 1.00 0.00 C ATOM 972 NZ LYS B 65 2.317 11.791 -2.068 1.00 0.00 N ATOM 0 H LYS B 65 4.023 7.102 -0.064 1.00 0.00 H new ATOM 0 HA LYS B 65 3.779 8.961 2.270 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.821 8.313 0.073 1.00 0.00 H new ATOM 0 HB3 LYS B 65 2.146 9.850 0.848 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.278 8.703 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS B 65 2.839 9.381 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS B 65 4.395 10.884 0.459 1.00 0.00 H new ATOM 0 HD3 LYS B 65 4.859 10.977 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS B 65 2.317 12.040 0.057 1.00 0.00 H new ATOM 0 HE3 LYS B 65 3.568 12.945 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 2.096 12.715 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 2.924 11.249 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 1.434 11.267 -1.901 1.00 0.00 H new ATOM 986 N MET B 66 2.006 6.181 2.168 1.00 0.00 N ATOM 987 CA MET B 66 1.251 5.227 3.041 1.00 0.00 C ATOM 988 C MET B 66 2.096 4.614 4.215 1.00 0.00 C ATOM 989 O MET B 66 1.555 4.188 5.241 1.00 0.00 O ATOM 990 CB MET B 66 0.668 4.103 2.131 1.00 0.00 C ATOM 991 CG MET B 66 -0.330 3.137 2.808 1.00 0.00 C ATOM 992 SD MET B 66 -0.615 1.702 1.760 1.00 0.00 S ATOM 993 CE MET B 66 1.083 1.116 1.645 1.00 0.00 C ATOM 0 H MET B 66 2.163 5.833 1.222 1.00 0.00 H new ATOM 0 HA MET B 66 0.460 5.788 3.538 1.00 0.00 H new ATOM 0 HB2 MET B 66 0.171 4.571 1.281 1.00 0.00 H new ATOM 0 HB3 MET B 66 1.497 3.518 1.733 1.00 0.00 H new ATOM 0 HG2 MET B 66 0.060 2.819 3.775 1.00 0.00 H new ATOM 0 HG3 MET B 66 -1.272 3.651 2.998 1.00 0.00 H new ATOM 0 HE1 MET B 66 1.094 0.026 1.667 1.00 0.00 H new ATOM 0 HE2 MET B 66 1.526 1.465 0.712 1.00 0.00 H new ATOM 0 HE3 MET B 66 1.659 1.502 2.486 1.00 0.00 H new ATOM 1003 N MET B 67 3.434 4.594 4.073 1.00 0.00 N ATOM 1004 CA MET B 67 4.374 4.215 5.174 1.00 0.00 C ATOM 1005 C MET B 67 4.480 5.372 6.231 1.00 0.00 C ATOM 1006 O MET B 67 4.551 5.132 7.441 1.00 0.00 O ATOM 1007 CB MET B 67 5.778 3.888 4.590 1.00 0.00 C ATOM 1008 CG MET B 67 6.705 3.061 5.507 1.00 0.00 C ATOM 1009 SD MET B 67 6.281 1.315 5.379 1.00 0.00 S ATOM 1010 CE MET B 67 7.713 0.601 6.203 1.00 0.00 C ATOM 0 H MET B 67 3.904 4.837 3.201 1.00 0.00 H new ATOM 0 HA MET B 67 3.985 3.328 5.673 1.00 0.00 H new ATOM 0 HB2 MET B 67 5.645 3.346 3.654 1.00 0.00 H new ATOM 0 HB3 MET B 67 6.278 4.825 4.348 1.00 0.00 H new ATOM 0 HG2 MET B 67 7.746 3.215 5.222 1.00 0.00 H new ATOM 0 HG3 MET B 67 6.604 3.395 6.540 1.00 0.00 H new ATOM 0 HE1 MET B 67 7.621 -0.485 6.217 1.00 0.00 H new ATOM 0 HE2 MET B 67 8.619 0.881 5.666 1.00 0.00 H new ATOM 0 HE3 MET B 67 7.768 0.974 7.226 1.00 0.00 H new ATOM 1020 N GLU B 68 4.480 6.636 5.770 1.00 0.00 N ATOM 1021 CA GLU B 68 4.490 7.839 6.661 1.00 0.00 C ATOM 1022 C GLU B 68 3.077 8.218 7.234 1.00 0.00 C ATOM 1023 O GLU B 68 2.958 8.785 8.325 1.00 0.00 O ATOM 1024 CB GLU B 68 5.235 9.010 5.939 1.00 0.00 C ATOM 1025 CG GLU B 68 5.730 10.223 6.788 1.00 0.00 C ATOM 1026 CD GLU B 68 6.223 11.439 6.011 1.00 0.00 C ATOM 1027 OE1 GLU B 68 6.277 11.375 4.766 1.00 0.00 O ATOM 1028 OE2 GLU B 68 6.533 12.473 6.637 1.00 0.00 O ATOM 0 H GLU B 68 4.473 6.865 4.776 1.00 0.00 H new ATOM 0 HA GLU B 68 5.051 7.596 7.564 1.00 0.00 H new ATOM 0 HB2 GLU B 68 6.102 8.587 5.432 1.00 0.00 H new ATOM 0 HB3 GLU B 68 4.571 9.397 5.166 1.00 0.00 H new ATOM 0 HG2 GLU B 68 4.914 10.541 7.438 1.00 0.00 H new ATOM 0 HG3 GLU B 68 6.538 9.880 7.435 1.00 0.00 H new