USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 507 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 2 MET CE :methyl 174:sc= 0 (180deg=-0.0662) USER MOD Single : A 12 GLN : amide:sc= 0.317 K(o=0.32,f=-3.2!) USER MOD Single : A 16 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 17 GLN : amide:sc= 0.123! C(o=0.12!,f=-3.4!) USER MOD Single : A 22 GLN : amide:sc= -0.0681 X(o=-0.068,f=-0.068) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.14) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.9) USER MOD Single : A 36 ASN : amide:sc= -0.932 K(o=-0.93,f=-7.4!) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 1.07 (180deg=0.901) USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0385) USER MOD Single : A 61 ASN : amide:sc= 0.657 K(o=0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -7.030 -0.911 6.704 1.00 0.00 N ATOM 38 CA MET A 2 -6.262 -0.638 5.494 1.00 0.00 C ATOM 39 C MET A 2 -4.773 -0.841 5.747 1.00 0.00 C ATOM 40 O MET A 2 -4.145 -1.574 4.991 1.00 0.00 O ATOM 41 CB MET A 2 -6.530 0.782 4.967 1.00 0.00 C ATOM 42 CG MET A 2 -7.608 0.732 3.881 1.00 0.00 C ATOM 43 SD MET A 2 -8.002 2.288 3.041 1.00 0.00 S ATOM 44 CE MET A 2 -6.706 2.290 1.773 1.00 0.00 C ATOM 0 HA MET A 2 -6.586 -1.344 4.729 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.852 1.429 5.783 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.612 1.210 4.563 1.00 0.00 H new ATOM 0 HG2 MET A 2 -7.296 0.010 3.127 1.00 0.00 H new ATOM 0 HG3 MET A 2 -8.524 0.348 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 2 -6.863 3.128 1.094 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.731 2.387 2.250 1.00 0.00 H new ATOM 0 HE3 MET A 2 -6.745 1.356 1.212 1.00 0.00 H new ATOM 54 N GLY A 3 -4.204 -0.191 6.762 1.00 0.00 N ATOM 55 CA GLY A 3 -2.786 -0.287 7.096 1.00 0.00 C ATOM 56 C GLY A 3 -2.314 -1.739 7.189 1.00 0.00 C ATOM 57 O GLY A 3 -1.437 -2.153 6.428 1.00 0.00 O ATOM 0 H GLY A 3 -4.725 0.427 7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.200 0.237 6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.603 0.215 8.046 1.00 0.00 H new ATOM 61 N GLU A 4 -2.941 -2.533 8.061 1.00 0.00 N ATOM 62 CA GLU A 4 -2.638 -3.954 8.246 1.00 0.00 C ATOM 63 C GLU A 4 -2.819 -4.738 6.946 1.00 0.00 C ATOM 64 O GLU A 4 -2.024 -5.621 6.622 1.00 0.00 O ATOM 65 CB GLU A 4 -3.564 -4.545 9.329 1.00 0.00 C ATOM 66 CG GLU A 4 -2.988 -4.465 10.746 1.00 0.00 C ATOM 67 CD GLU A 4 -2.557 -3.054 11.145 1.00 0.00 C ATOM 68 OE1 GLU A 4 -3.435 -2.169 11.261 1.00 0.00 O ATOM 69 OE2 GLU A 4 -1.335 -2.841 11.338 1.00 0.00 O ATOM 0 H GLU A 4 -3.688 -2.199 8.670 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.596 -4.038 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.518 -4.019 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.769 -5.588 9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.734 -4.823 11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.131 -5.134 10.820 1.00 0.00 H new ATOM 76 N ARG A 5 -3.871 -4.450 6.184 1.00 0.00 N ATOM 77 CA ARG A 5 -4.145 -5.105 4.915 1.00 0.00 C ATOM 78 C ARG A 5 -3.024 -4.835 3.910 1.00 0.00 C ATOM 79 O ARG A 5 -2.521 -5.761 3.271 1.00 0.00 O ATOM 80 CB ARG A 5 -5.527 -4.622 4.467 1.00 0.00 C ATOM 81 CG ARG A 5 -5.872 -5.075 3.066 1.00 0.00 C ATOM 82 CD ARG A 5 -7.360 -5.003 2.743 1.00 0.00 C ATOM 83 NE ARG A 5 -7.978 -3.711 3.052 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.763 -3.395 4.085 1.00 0.00 C ATOM 85 NH1 ARG A 5 -9.000 -4.255 5.067 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.301 -2.192 4.102 1.00 0.00 N ATOM 0 H ARG A 5 -4.564 -3.746 6.437 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.166 -6.191 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.281 -4.993 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.560 -3.533 4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.325 -4.461 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.530 -6.101 2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -7.502 -5.217 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.879 -5.784 3.298 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.784 -2.956 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.578 -5.184 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.604 -3.988 5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.112 -1.538 3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.906 -1.915 4.875 1.00 0.00 H new ATOM 100 N ILE A 6 -2.616 -3.576 3.778 1.00 0.00 N ATOM 101 CA ILE A 6 -1.527 -3.137 2.923 1.00 0.00 C ATOM 102 C ILE A 6 -0.237 -3.842 3.359 1.00 0.00 C ATOM 103 O ILE A 6 0.482 -4.371 2.507 1.00 0.00 O ATOM 104 CB ILE A 6 -1.434 -1.589 2.978 1.00 0.00 C ATOM 105 CG1 ILE A 6 -2.622 -0.945 2.233 1.00 0.00 C ATOM 106 CG2 ILE A 6 -0.118 -1.072 2.376 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.827 0.540 2.550 1.00 0.00 C ATOM 0 H ILE A 6 -3.054 -2.807 4.285 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.701 -3.407 1.881 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.465 -1.307 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.469 -1.059 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.533 -1.489 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.094 0.016 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.724 -1.484 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.049 -1.381 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.681 0.918 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.013 0.662 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.933 1.098 2.272 1.00 0.00 H new ATOM 119 N ARG A 7 0.076 -3.833 4.662 1.00 0.00 N ATOM 120 CA ARG A 7 1.301 -4.432 5.191 1.00 0.00 C ATOM 121 C ARG A 7 1.325 -5.923 4.884 1.00 0.00 C ATOM 122 O ARG A 7 2.321 -6.425 4.365 1.00 0.00 O ATOM 123 CB ARG A 7 1.361 -4.163 6.708 1.00 0.00 C ATOM 124 CG ARG A 7 2.743 -4.350 7.351 1.00 0.00 C ATOM 125 CD ARG A 7 3.181 -5.803 7.553 1.00 0.00 C ATOM 126 NE ARG A 7 4.161 -5.971 8.642 1.00 0.00 N ATOM 127 CZ ARG A 7 5.376 -5.424 8.790 1.00 0.00 C ATOM 128 NH1 ARG A 7 5.811 -4.427 8.022 1.00 0.00 N ATOM 129 NH2 ARG A 7 6.175 -5.890 9.739 1.00 0.00 N ATOM 0 H ARG A 7 -0.516 -3.409 5.376 1.00 0.00 H new ATOM 0 HA ARG A 7 2.178 -3.989 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.027 -3.142 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.653 -4.825 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.485 -3.847 6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.745 -3.849 8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.303 -6.413 7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.612 -6.178 6.625 1.00 0.00 H new ATOM 0 HE ARG A 7 3.872 -6.596 9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.212 -4.051 7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.743 -4.040 8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.862 -6.652 10.341 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.103 -5.487 9.868 1.00 0.00 H new ATOM 143 N ALA A 8 0.214 -6.611 5.130 1.00 0.00 N ATOM 144 CA ALA A 8 0.113 -8.048 4.975 1.00 0.00 C ATOM 145 C ALA A 8 0.272 -8.431 3.508 1.00 0.00 C ATOM 146 O ALA A 8 1.002 -9.374 3.212 1.00 0.00 O ATOM 147 CB ALA A 8 -1.215 -8.545 5.549 1.00 0.00 C ATOM 0 H ALA A 8 -0.651 -6.174 5.447 1.00 0.00 H new ATOM 0 HA ALA A 8 0.917 -8.530 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.282 -9.626 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.270 -8.294 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.041 -8.069 5.020 1.00 0.00 H new ATOM 153 N ARG A 9 -0.375 -7.727 2.569 1.00 0.00 N ATOM 154 CA ARG A 9 -0.240 -8.052 1.147 1.00 0.00 C ATOM 155 C ARG A 9 1.160 -7.724 0.626 1.00 0.00 C ATOM 156 O ARG A 9 1.663 -8.472 -0.207 1.00 0.00 O ATOM 157 CB ARG A 9 -1.370 -7.390 0.346 1.00 0.00 C ATOM 158 CG ARG A 9 -1.275 -7.526 -1.180 1.00 0.00 C ATOM 159 CD ARG A 9 -1.265 -8.955 -1.746 1.00 0.00 C ATOM 160 NE ARG A 9 -0.778 -8.911 -3.133 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.477 -9.938 -3.943 1.00 0.00 C ATOM 162 NH1 ARG A 9 -0.775 -11.197 -3.658 1.00 0.00 N ATOM 163 NH2 ARG A 9 0.151 -9.674 -5.077 1.00 0.00 N ATOM 0 H ARG A 9 -0.990 -6.938 2.767 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.348 -9.128 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.319 -7.817 0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.395 -6.329 0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.115 -6.991 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.367 -7.023 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.624 -9.596 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.267 -9.382 -1.711 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.653 -7.980 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.256 -11.423 -2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.523 -11.941 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.392 -8.712 -5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.394 -10.433 -5.714 1.00 0.00 H new ATOM 177 N ARG A 10 1.824 -6.664 1.104 1.00 0.00 N ATOM 178 CA ARG A 10 3.232 -6.418 0.789 1.00 0.00 C ATOM 179 C ARG A 10 4.085 -7.610 1.183 1.00 0.00 C ATOM 180 O ARG A 10 4.822 -8.136 0.358 1.00 0.00 O ATOM 181 CB ARG A 10 3.691 -5.153 1.514 1.00 0.00 C ATOM 182 CG ARG A 10 5.110 -4.724 1.112 1.00 0.00 C ATOM 183 CD ARG A 10 5.441 -3.244 1.341 1.00 0.00 C ATOM 184 NE ARG A 10 4.788 -2.660 2.519 1.00 0.00 N ATOM 185 CZ ARG A 10 3.592 -2.070 2.593 1.00 0.00 C ATOM 186 NH1 ARG A 10 2.877 -1.817 1.506 1.00 0.00 N ATOM 187 NH2 ARG A 10 3.124 -1.700 3.766 1.00 0.00 N ATOM 0 H ARG A 10 1.404 -5.962 1.713 1.00 0.00 H new ATOM 0 HA ARG A 10 3.345 -6.275 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.995 -4.342 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.658 -5.323 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.825 -5.329 1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.254 -4.952 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.521 -3.136 1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.149 -2.676 0.458 1.00 0.00 H new ATOM 0 HE ARG A 10 5.314 -2.711 3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.238 -2.074 0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.966 -1.365 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.674 -1.864 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.212 -1.249 3.832 1.00 0.00 H new ATOM 201 N ILE A 11 3.957 -8.040 2.429 1.00 0.00 N ATOM 202 CA ILE A 11 4.632 -9.232 2.938 1.00 0.00 C ATOM 203 C ILE A 11 4.237 -10.480 2.144 1.00 0.00 C ATOM 204 O ILE A 11 5.076 -11.348 1.925 1.00 0.00 O ATOM 205 CB ILE A 11 4.375 -9.352 4.452 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.137 -8.244 5.223 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.716 -10.737 5.028 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.655 -8.183 4.974 1.00 0.00 C ATOM 0 H ILE A 11 3.377 -7.570 3.124 1.00 0.00 H new ATOM 0 HA ILE A 11 5.709 -9.138 2.797 1.00 0.00 H new ATOM 0 HB ILE A 11 3.301 -9.221 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.705 -7.279 4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.968 -8.387 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.510 -10.747 6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.109 -11.496 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.771 -10.951 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.088 -7.373 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.110 -9.129 5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.843 -8.004 3.915 1.00 0.00 H new ATOM 220 N GLN A 12 3.001 -10.579 1.663 1.00 0.00 N ATOM 221 CA GLN A 12 2.585 -11.678 0.793 1.00 0.00 C ATOM 222 C GLN A 12 3.288 -11.652 -0.575 1.00 0.00 C ATOM 223 O GLN A 12 3.424 -12.695 -1.216 1.00 0.00 O ATOM 224 CB GLN A 12 1.062 -11.661 0.596 1.00 0.00 C ATOM 225 CG GLN A 12 0.467 -13.073 0.523 1.00 0.00 C ATOM 226 CD GLN A 12 -0.837 -13.081 -0.269 1.00 0.00 C ATOM 227 OE1 GLN A 12 -0.831 -12.815 -1.466 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.961 -13.377 0.347 1.00 0.00 N ATOM 0 H GLN A 12 2.262 -9.905 1.863 1.00 0.00 H new ATOM 0 HA GLN A 12 2.881 -12.600 1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.598 -11.116 1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.823 -11.121 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.183 -13.749 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.286 -13.447 1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.954 -13.597 1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.839 -13.387 -0.171 1.00 0.00 H new ATOM 237 N LEU A 13 3.731 -10.483 -1.043 1.00 0.00 N ATOM 238 CA LEU A 13 4.632 -10.352 -2.190 1.00 0.00 C ATOM 239 C LEU A 13 6.095 -10.559 -1.773 1.00 0.00 C ATOM 240 O LEU A 13 6.924 -10.898 -2.615 1.00 0.00 O ATOM 241 CB LEU A 13 4.383 -8.999 -2.880 1.00 0.00 C ATOM 242 CG LEU A 13 5.094 -8.811 -4.237 1.00 0.00 C ATOM 243 CD1 LEU A 13 4.774 -9.922 -5.242 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.653 -7.475 -4.855 1.00 0.00 C ATOM 0 H LEU A 13 3.470 -9.588 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 13 4.421 -11.137 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.310 -8.878 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.702 -8.203 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 13 6.165 -8.836 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.304 -9.732 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.089 -10.883 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.701 -9.943 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.152 -7.336 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.573 -7.482 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.921 -6.658 -4.185 1.00 0.00 H new ATOM 256 N GLY A 14 6.385 -10.446 -0.477 1.00 0.00 N ATOM 257 CA GLY A 14 7.629 -10.848 0.156 1.00 0.00 C ATOM 258 C GLY A 14 8.771 -9.869 -0.069 1.00 0.00 C ATOM 259 O GLY A 14 9.933 -10.281 -0.114 1.00 0.00 O ATOM 0 H GLY A 14 5.721 -10.051 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.462 -10.959 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.921 -11.827 -0.224 1.00 0.00 H new ATOM 263 N LEU A 15 8.455 -8.581 -0.202 1.00 0.00 N ATOM 264 CA LEU A 15 9.343 -7.462 -0.394 1.00 0.00 C ATOM 265 C LEU A 15 9.103 -6.379 0.656 1.00 0.00 C ATOM 266 O LEU A 15 8.069 -6.366 1.327 1.00 0.00 O ATOM 267 CB LEU A 15 9.222 -7.063 -1.874 1.00 0.00 C ATOM 268 CG LEU A 15 8.364 -5.823 -2.137 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.565 -5.306 -3.562 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.884 -6.180 -1.977 1.00 0.00 C ATOM 0 H LEU A 15 7.481 -8.280 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 15 10.393 -7.699 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.222 -6.887 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.802 -7.902 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 15 8.663 -5.055 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.943 -4.425 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.612 -5.042 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.283 -6.082 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.274 -5.296 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.619 -6.961 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.703 -6.537 -0.963 1.00 0.00 H new ATOM 282 N ASN A 16 10.059 -5.463 0.777 1.00 0.00 N ATOM 283 CA ASN A 16 10.056 -4.435 1.821 1.00 0.00 C ATOM 284 C ASN A 16 9.194 -3.251 1.392 1.00 0.00 C ATOM 285 O ASN A 16 8.813 -3.121 0.225 1.00 0.00 O ATOM 286 CB ASN A 16 11.467 -3.878 2.078 1.00 0.00 C ATOM 287 CG ASN A 16 12.431 -4.853 2.720 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.580 -4.859 3.940 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.127 -5.641 1.923 1.00 0.00 N ATOM 0 H ASN A 16 10.863 -5.410 0.152 1.00 0.00 H new ATOM 0 HA ASN A 16 9.670 -4.911 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.888 -3.545 1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.384 -2.999 2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.816 -6.283 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.976 -5.608 0.915 1.00 0.00 H new ATOM 296 N GLN A 17 8.949 -2.320 2.319 1.00 0.00 N ATOM 297 CA GLN A 17 8.387 -1.021 2.004 1.00 0.00 C ATOM 298 C GLN A 17 9.164 -0.327 0.899 1.00 0.00 C ATOM 299 O GLN A 17 8.535 0.077 -0.069 1.00 0.00 O ATOM 300 CB GLN A 17 8.387 -0.117 3.230 1.00 0.00 C ATOM 301 CG GLN A 17 7.463 -0.584 4.346 1.00 0.00 C ATOM 302 CD GLN A 17 7.360 0.476 5.433 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.058 1.481 5.448 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.450 0.260 6.346 1.00 0.00 N ATOM 0 H GLN A 17 9.139 -2.456 3.312 1.00 0.00 H new ATOM 0 HA GLN A 17 7.365 -1.197 1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.403 -0.050 3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.094 0.888 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.473 -0.796 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.839 -1.514 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.882 -0.586 6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.308 0.938 7.095 1.00 0.00 H new ATOM 313 N ALA A 18 10.480 -0.153 1.052 1.00 0.00 N ATOM 314 CA ALA A 18 11.261 0.690 0.161 1.00 0.00 C ATOM 315 C ALA A 18 11.247 0.110 -1.247 1.00 0.00 C ATOM 316 O ALA A 18 11.088 0.845 -2.209 1.00 0.00 O ATOM 317 CB ALA A 18 12.687 0.841 0.685 1.00 0.00 C ATOM 0 H ALA A 18 11.025 -0.592 1.794 1.00 0.00 H new ATOM 0 HA ALA A 18 10.814 1.683 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.259 1.475 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.665 1.296 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.157 -0.140 0.748 1.00 0.00 H new ATOM 323 N GLU A 19 11.344 -1.212 -1.371 1.00 0.00 N ATOM 324 CA GLU A 19 11.254 -1.886 -2.654 1.00 0.00 C ATOM 325 C GLU A 19 9.893 -1.685 -3.312 1.00 0.00 C ATOM 326 O GLU A 19 9.826 -1.345 -4.493 1.00 0.00 O ATOM 327 CB GLU A 19 11.499 -3.383 -2.459 1.00 0.00 C ATOM 328 CG GLU A 19 12.810 -3.710 -1.746 1.00 0.00 C ATOM 329 CD GLU A 19 13.019 -5.219 -1.690 1.00 0.00 C ATOM 330 OE1 GLU A 19 12.439 -5.857 -0.783 1.00 0.00 O ATOM 331 OE2 GLU A 19 13.803 -5.773 -2.497 1.00 0.00 O ATOM 0 H GLU A 19 11.487 -1.842 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 19 12.011 -1.454 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.672 -3.805 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.496 -3.871 -3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.643 -3.240 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.795 -3.300 -0.736 1.00 0.00 H new ATOM 338 N LEU A 20 8.802 -1.879 -2.558 1.00 0.00 N ATOM 339 CA LEU A 20 7.466 -1.596 -3.068 1.00 0.00 C ATOM 340 C LEU A 20 7.443 -0.145 -3.541 1.00 0.00 C ATOM 341 O LEU A 20 7.136 0.122 -4.696 1.00 0.00 O ATOM 342 CB LEU A 20 6.390 -1.874 -1.999 1.00 0.00 C ATOM 343 CG LEU A 20 4.963 -1.745 -2.576 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.564 -3.024 -3.316 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.900 -1.532 -1.497 1.00 0.00 C ATOM 0 H LEU A 20 8.824 -2.229 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 20 7.233 -2.254 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.530 -2.877 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.512 -1.176 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 20 4.998 -0.879 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.556 -2.914 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.261 -3.203 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.591 -3.867 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.919 -1.449 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.904 -2.378 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.119 -0.617 -0.947 1.00 0.00 H new ATOM 357 N ALA A 21 7.791 0.771 -2.644 1.00 0.00 N ATOM 358 CA ALA A 21 7.809 2.206 -2.842 1.00 0.00 C ATOM 359 C ALA A 21 8.532 2.589 -4.124 1.00 0.00 C ATOM 360 O ALA A 21 7.938 3.278 -4.953 1.00 0.00 O ATOM 361 CB ALA A 21 8.461 2.898 -1.643 1.00 0.00 C ATOM 0 H ALA A 21 8.085 0.510 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 21 6.775 2.539 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.468 3.976 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.895 2.670 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.485 2.541 -1.530 1.00 0.00 H new ATOM 367 N GLN A 22 9.765 2.108 -4.298 1.00 0.00 N ATOM 368 CA GLN A 22 10.635 2.408 -5.418 1.00 0.00 C ATOM 369 C GLN A 22 9.922 2.036 -6.711 1.00 0.00 C ATOM 370 O GLN A 22 9.811 2.859 -7.627 1.00 0.00 O ATOM 371 CB GLN A 22 11.936 1.608 -5.229 1.00 0.00 C ATOM 372 CG GLN A 22 13.002 1.832 -6.307 1.00 0.00 C ATOM 373 CD GLN A 22 13.453 3.284 -6.392 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.041 3.813 -5.453 1.00 0.00 O ATOM 375 NE2 GLN A 22 13.197 3.949 -7.509 1.00 0.00 N ATOM 0 H GLN A 22 10.196 1.471 -3.628 1.00 0.00 H new ATOM 0 HA GLN A 22 10.879 3.469 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.363 1.864 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.690 0.547 -5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.864 1.199 -6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.607 1.521 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.707 3.488 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.490 4.922 -7.602 1.00 0.00 H new ATOM 384 N LYS A 23 9.405 0.804 -6.772 1.00 0.00 N ATOM 385 CA LYS A 23 8.733 0.305 -7.948 1.00 0.00 C ATOM 386 C LYS A 23 7.469 1.108 -8.237 1.00 0.00 C ATOM 387 O LYS A 23 7.160 1.288 -9.414 1.00 0.00 O ATOM 388 CB LYS A 23 8.512 -1.211 -7.799 1.00 0.00 C ATOM 389 CG LYS A 23 7.059 -1.649 -7.577 1.00 0.00 C ATOM 390 CD LYS A 23 6.989 -3.152 -7.341 1.00 0.00 C ATOM 391 CE LYS A 23 5.517 -3.560 -7.243 1.00 0.00 C ATOM 392 NZ LYS A 23 5.355 -5.006 -7.496 1.00 0.00 N ATOM 0 H LYS A 23 9.447 0.136 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 23 9.354 0.443 -8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.889 -1.705 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.112 -1.567 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.639 -1.120 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.455 -1.382 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.477 -3.687 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.517 -3.417 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.132 -3.314 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.929 -2.992 -7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.363 -5.276 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.623 -5.219 -8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.965 -5.543 -6.847 1.00 0.00 H new ATOM 406 N VAL A 24 6.711 1.571 -7.234 1.00 0.00 N ATOM 407 CA VAL A 24 5.506 2.328 -7.490 1.00 0.00 C ATOM 408 C VAL A 24 5.914 3.745 -7.928 1.00 0.00 C ATOM 409 O VAL A 24 5.330 4.290 -8.863 1.00 0.00 O ATOM 410 CB VAL A 24 4.623 2.352 -6.230 1.00 0.00 C ATOM 411 CG1 VAL A 24 3.202 2.740 -6.643 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.473 1.048 -5.427 1.00 0.00 C ATOM 0 H VAL A 24 6.920 1.429 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 24 4.920 1.866 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 24 5.144 3.053 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.560 2.762 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.215 3.726 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.817 2.009 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.823 1.222 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.037 0.277 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.453 0.720 -5.079 1.00 0.00 H new ATOM 422 N GLY A 25 6.946 4.327 -7.314 1.00 0.00 N ATOM 423 CA GLY A 25 7.394 5.695 -7.527 1.00 0.00 C ATOM 424 C GLY A 25 6.993 6.641 -6.408 1.00 0.00 C ATOM 425 O GLY A 25 6.784 7.834 -6.641 1.00 0.00 O ATOM 0 H GLY A 25 7.514 3.832 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.479 5.703 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.984 6.062 -8.468 1.00 0.00 H new ATOM 429 N VAL A 26 6.792 6.106 -5.215 1.00 0.00 N ATOM 430 CA VAL A 26 6.602 6.817 -3.977 1.00 0.00 C ATOM 431 C VAL A 26 7.860 6.700 -3.102 1.00 0.00 C ATOM 432 O VAL A 26 8.771 5.937 -3.429 1.00 0.00 O ATOM 433 CB VAL A 26 5.308 6.291 -3.357 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.125 6.429 -4.326 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.341 4.843 -2.855 1.00 0.00 C ATOM 0 H VAL A 26 6.756 5.095 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 26 6.480 7.892 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 26 5.187 6.924 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.221 6.046 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.984 7.479 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.329 5.860 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.369 4.581 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.571 4.175 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.107 4.742 -2.086 1.00 0.00 H new ATOM 445 N ASP A 27 7.927 7.423 -1.983 1.00 0.00 N ATOM 446 CA ASP A 27 8.955 7.263 -0.961 1.00 0.00 C ATOM 447 C ASP A 27 8.623 6.045 -0.094 1.00 0.00 C ATOM 448 O ASP A 27 7.455 5.657 -0.005 1.00 0.00 O ATOM 449 CB ASP A 27 9.083 8.527 -0.080 1.00 0.00 C ATOM 450 CG ASP A 27 7.947 9.549 -0.142 1.00 0.00 C ATOM 451 OD1 ASP A 27 7.977 10.405 -1.065 1.00 0.00 O ATOM 452 OD2 ASP A 27 7.023 9.502 0.697 1.00 0.00 O ATOM 0 H ASP A 27 7.250 8.153 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 27 9.913 7.112 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.190 8.205 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.008 9.035 -0.353 1.00 0.00 H new ATOM 457 N GLN A 28 9.611 5.479 0.617 1.00 0.00 N ATOM 458 CA GLN A 28 9.335 4.485 1.658 1.00 0.00 C ATOM 459 C GLN A 28 8.365 5.107 2.663 1.00 0.00 C ATOM 460 O GLN A 28 7.414 4.456 3.088 1.00 0.00 O ATOM 461 CB GLN A 28 10.599 4.026 2.408 1.00 0.00 C ATOM 462 CG GLN A 28 10.251 2.769 3.224 1.00 0.00 C ATOM 463 CD GLN A 28 11.192 2.461 4.380 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.068 1.609 4.270 1.00 0.00 O ATOM 465 NE2 GLN A 28 10.980 3.078 5.529 1.00 0.00 N ATOM 0 H GLN A 28 10.600 5.693 0.489 1.00 0.00 H new ATOM 0 HA GLN A 28 8.915 3.604 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.401 3.810 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.958 4.818 3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.241 2.881 3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.237 1.912 2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.247 3.784 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.549 2.849 6.344 1.00 0.00 H new ATOM 474 N GLN A 29 8.581 6.380 2.994 1.00 0.00 N ATOM 475 CA GLN A 29 7.748 7.156 3.888 1.00 0.00 C ATOM 476 C GLN A 29 6.274 7.054 3.473 1.00 0.00 C ATOM 477 O GLN A 29 5.409 6.910 4.333 1.00 0.00 O ATOM 478 CB GLN A 29 8.269 8.596 3.968 1.00 0.00 C ATOM 479 CG GLN A 29 7.858 9.271 5.282 1.00 0.00 C ATOM 480 CD GLN A 29 8.381 10.702 5.350 1.00 0.00 C ATOM 481 OE1 GLN A 29 9.445 10.979 5.903 1.00 0.00 O ATOM 482 NE2 GLN A 29 7.634 11.652 4.815 1.00 0.00 N ATOM 0 H GLN A 29 9.372 6.911 2.629 1.00 0.00 H new ATOM 0 HA GLN A 29 7.803 6.749 4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.356 8.596 3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.883 9.171 3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.772 9.273 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.245 8.699 6.125 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.754 11.412 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.938 12.625 4.858 1.00 0.00 H new ATOM 491 N ALA A 30 5.963 7.146 2.176 1.00 0.00 N ATOM 492 CA ALA A 30 4.605 6.996 1.667 1.00 0.00 C ATOM 493 C ALA A 30 3.993 5.614 1.903 1.00 0.00 C ATOM 494 O ALA A 30 2.769 5.515 2.007 1.00 0.00 O ATOM 495 CB ALA A 30 4.546 7.328 0.179 1.00 0.00 C ATOM 0 H ALA A 30 6.655 7.328 1.449 1.00 0.00 H new ATOM 0 HA ALA A 30 4.007 7.704 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.524 7.209 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.868 8.357 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.204 6.655 -0.370 1.00 0.00 H new ATOM 501 N ILE A 31 4.790 4.548 1.978 1.00 0.00 N ATOM 502 CA ILE A 31 4.319 3.242 2.415 1.00 0.00 C ATOM 503 C ILE A 31 4.153 3.240 3.937 1.00 0.00 C ATOM 504 O ILE A 31 3.135 2.760 4.429 1.00 0.00 O ATOM 505 CB ILE A 31 5.314 2.156 1.967 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.631 2.172 0.466 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.762 0.781 2.336 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.447 2.168 -0.503 1.00 0.00 C ATOM 0 H ILE A 31 5.781 4.570 1.736 1.00 0.00 H new ATOM 0 HA ILE A 31 3.351 3.028 1.962 1.00 0.00 H new ATOM 0 HB ILE A 31 6.248 2.371 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.233 3.056 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.252 1.304 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.465 0.010 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.621 0.723 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.805 0.627 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.816 2.181 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.849 1.271 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.831 3.050 -0.328 1.00 0.00 H new ATOM 520 N GLU A 32 5.139 3.754 4.671 1.00 0.00 N ATOM 521 CA GLU A 32 5.199 3.758 6.129 1.00 0.00 C ATOM 522 C GLU A 32 3.973 4.478 6.691 1.00 0.00 C ATOM 523 O GLU A 32 3.262 3.972 7.557 1.00 0.00 O ATOM 524 CB GLU A 32 6.499 4.468 6.549 1.00 0.00 C ATOM 525 CG GLU A 32 6.790 4.391 8.050 1.00 0.00 C ATOM 526 CD GLU A 32 7.483 3.085 8.431 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.798 2.038 8.517 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.713 3.126 8.664 1.00 0.00 O ATOM 0 H GLU A 32 5.953 4.198 4.245 1.00 0.00 H new ATOM 0 HA GLU A 32 5.198 2.741 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.334 4.028 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.441 5.516 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.418 5.233 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.857 4.482 8.606 1.00 0.00 H new ATOM 535 N GLN A 33 3.695 5.664 6.152 1.00 0.00 N ATOM 536 CA GLN A 33 2.552 6.470 6.524 1.00 0.00 C ATOM 537 C GLN A 33 1.257 5.724 6.194 1.00 0.00 C ATOM 538 O GLN A 33 0.274 5.870 6.907 1.00 0.00 O ATOM 539 CB GLN A 33 2.661 7.854 5.846 1.00 0.00 C ATOM 540 CG GLN A 33 2.181 7.834 4.394 1.00 0.00 C ATOM 541 CD GLN A 33 2.466 9.097 3.589 1.00 0.00 C ATOM 542 OE1 GLN A 33 3.213 9.984 3.992 1.00 0.00 O ATOM 543 NE2 GLN A 33 1.897 9.168 2.399 1.00 0.00 N ATOM 0 H GLN A 33 4.275 6.093 5.431 1.00 0.00 H new ATOM 0 HA GLN A 33 2.535 6.645 7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.073 8.578 6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.697 8.190 5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.647 6.989 3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.106 7.656 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.280 8.420 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.075 9.971 1.796 1.00 0.00 H new ATOM 552 N LEU A 34 1.217 4.947 5.109 1.00 0.00 N ATOM 553 CA LEU A 34 0.028 4.206 4.734 1.00 0.00 C ATOM 554 C LEU A 34 -0.209 3.028 5.672 1.00 0.00 C ATOM 555 O LEU A 34 -1.362 2.710 5.946 1.00 0.00 O ATOM 556 CB LEU A 34 0.161 3.709 3.293 1.00 0.00 C ATOM 557 CG LEU A 34 -0.699 4.550 2.346 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.399 4.092 0.915 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.213 4.423 2.547 1.00 0.00 C ATOM 0 H LEU A 34 2.006 4.820 4.475 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.829 4.875 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.205 3.756 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.142 2.664 3.235 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.442 5.589 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.998 4.673 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.659 4.241 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.645 3.035 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.730 5.058 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.514 3.386 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.473 4.735 3.559 1.00 0.00 H new ATOM 571 N GLU A 35 0.854 2.382 6.162 1.00 0.00 N ATOM 572 CA GLU A 35 0.726 1.367 7.202 1.00 0.00 C ATOM 573 C GLU A 35 0.168 2.014 8.463 1.00 0.00 C ATOM 574 O GLU A 35 -0.748 1.456 9.064 1.00 0.00 O ATOM 575 CB GLU A 35 2.061 0.689 7.543 1.00 0.00 C ATOM 576 CG GLU A 35 2.576 -0.288 6.483 1.00 0.00 C ATOM 577 CD GLU A 35 3.821 -1.070 6.938 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.206 -1.033 8.124 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.465 -1.714 6.072 1.00 0.00 O ATOM 0 H GLU A 35 1.812 2.547 5.852 1.00 0.00 H new ATOM 0 HA GLU A 35 0.056 0.597 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.814 1.461 7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.950 0.154 8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.783 -0.993 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.813 0.264 5.573 1.00 0.00 H new ATOM 586 N ASN A 36 0.683 3.183 8.867 1.00 0.00 N ATOM 587 CA ASN A 36 0.334 3.760 10.153 1.00 0.00 C ATOM 588 C ASN A 36 -0.984 4.540 10.104 1.00 0.00 C ATOM 589 O ASN A 36 -1.448 5.012 11.144 1.00 0.00 O ATOM 590 CB ASN A 36 1.529 4.517 10.755 1.00 0.00 C ATOM 591 CG ASN A 36 1.801 5.911 10.224 1.00 0.00 C ATOM 592 OD1 ASN A 36 0.899 6.715 10.035 1.00 0.00 O ATOM 593 ND2 ASN A 36 3.065 6.251 10.052 1.00 0.00 N ATOM 0 H ASN A 36 1.339 3.738 8.318 1.00 0.00 H new ATOM 0 HA ASN A 36 0.124 2.953 10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.376 4.589 11.832 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.424 3.915 10.599 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.303 7.198 9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.804 5.567 10.214 1.00 0.00 H new ATOM 600 N GLY A 37 -1.622 4.626 8.931 1.00 0.00 N ATOM 601 CA GLY A 37 -2.905 5.279 8.710 1.00 0.00 C ATOM 602 C GLY A 37 -2.780 6.791 8.542 1.00 0.00 C ATOM 603 O GLY A 37 -3.782 7.507 8.607 1.00 0.00 O ATOM 0 H GLY A 37 -1.236 4.223 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.373 4.857 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.566 5.065 9.550 1.00 0.00 H new ATOM 607 N LYS A 38 -1.574 7.310 8.295 1.00 0.00 N ATOM 608 CA LYS A 38 -1.359 8.727 8.080 1.00 0.00 C ATOM 609 C LYS A 38 -1.893 9.110 6.711 1.00 0.00 C ATOM 610 O LYS A 38 -2.612 10.109 6.673 1.00 0.00 O ATOM 611 CB LYS A 38 0.132 9.062 8.167 1.00 0.00 C ATOM 612 CG LYS A 38 0.584 9.770 9.447 1.00 0.00 C ATOM 613 CD LYS A 38 0.348 11.287 9.429 1.00 0.00 C ATOM 614 CE LYS A 38 -1.100 11.711 9.718 1.00 0.00 C ATOM 615 NZ LYS A 38 -1.844 12.147 8.515 1.00 0.00 N ATOM 0 H LYS A 38 -0.723 6.750 8.240 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.885 9.289 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.699 8.137 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.394 9.690 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.054 9.339 10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.646 9.578 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.003 11.752 10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.639 11.675 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.629 10.876 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.093 12.524 10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.732 12.606 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.265 12.821 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.058 11.321 7.921 1.00 0.00 H new ATOM 629 N ALA A 39 -1.592 8.391 5.620 1.00 0.00 N ATOM 630 CA ALA A 39 -2.407 8.504 4.424 1.00 0.00 C ATOM 631 C ALA A 39 -3.524 7.473 4.545 1.00 0.00 C ATOM 632 O ALA A 39 -3.402 6.511 5.304 1.00 0.00 O ATOM 633 CB ALA A 39 -1.527 8.222 3.212 1.00 0.00 C ATOM 0 H ALA A 39 -0.808 7.743 5.550 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.837 9.499 4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.123 8.302 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.713 8.946 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.115 7.216 3.288 1.00 0.00 H new ATOM 639 N LYS A 40 -4.580 7.642 3.753 1.00 0.00 N ATOM 640 CA LYS A 40 -5.680 6.692 3.663 1.00 0.00 C ATOM 641 C LYS A 40 -5.928 6.441 2.190 1.00 0.00 C ATOM 642 O LYS A 40 -5.690 5.338 1.706 1.00 0.00 O ATOM 643 CB LYS A 40 -6.879 7.250 4.440 1.00 0.00 C ATOM 644 CG LYS A 40 -7.942 6.216 4.825 1.00 0.00 C ATOM 645 CD LYS A 40 -8.852 5.744 3.683 1.00 0.00 C ATOM 646 CE LYS A 40 -10.029 4.964 4.290 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.031 4.533 3.293 1.00 0.00 N ATOM 0 H LYS A 40 -4.695 8.455 3.148 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.464 5.727 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.513 7.727 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.351 8.027 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.440 5.346 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.566 6.639 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.217 6.598 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.295 5.112 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.643 4.086 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.519 5.586 5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.956 4.424 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.102 5.248 2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.741 3.623 2.880 1.00 0.00 H new ATOM 661 N ARG A 41 -6.324 7.469 1.438 1.00 0.00 N ATOM 662 CA ARG A 41 -6.564 7.443 0.036 1.00 0.00 C ATOM 663 C ARG A 41 -5.684 8.494 -0.651 1.00 0.00 C ATOM 664 O ARG A 41 -6.185 9.531 -1.095 1.00 0.00 O ATOM 665 CB ARG A 41 -8.063 7.717 -0.111 1.00 0.00 C ATOM 666 CG ARG A 41 -8.644 8.864 0.745 1.00 0.00 C ATOM 667 CD ARG A 41 -9.985 9.381 0.214 1.00 0.00 C ATOM 668 NE ARG A 41 -9.850 10.039 -1.099 1.00 0.00 N ATOM 669 CZ ARG A 41 -10.729 9.977 -2.107 1.00 0.00 C ATOM 670 NH1 ARG A 41 -11.845 9.260 -2.013 1.00 0.00 N ATOM 671 NH2 ARG A 41 -10.488 10.638 -3.232 1.00 0.00 N ATOM 0 H ARG A 41 -6.490 8.392 1.840 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.310 6.495 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.268 7.936 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.602 6.802 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.774 8.516 1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.929 9.686 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.685 8.550 0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.409 10.086 0.929 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.008 10.593 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.047 8.741 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.499 9.229 -2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.636 11.191 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.155 10.594 -4.002 1.00 0.00 H new ATOM 685 N PRO A 42 -4.365 8.277 -0.729 1.00 0.00 N ATOM 686 CA PRO A 42 -3.468 9.212 -1.386 1.00 0.00 C ATOM 687 C PRO A 42 -3.634 9.090 -2.905 1.00 0.00 C ATOM 688 O PRO A 42 -4.271 8.147 -3.393 1.00 0.00 O ATOM 689 CB PRO A 42 -2.079 8.806 -0.901 1.00 0.00 C ATOM 690 CG PRO A 42 -2.194 7.296 -0.690 1.00 0.00 C ATOM 691 CD PRO A 42 -3.661 7.076 -0.319 1.00 0.00 C ATOM 0 HA PRO A 42 -3.663 10.259 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.312 9.050 -1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.811 9.320 0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.925 6.747 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.528 6.953 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.063 6.197 -0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.771 6.907 0.752 1.00 0.00 H new ATOM 699 N ARG A 43 -3.030 10.010 -3.669 1.00 0.00 N ATOM 700 CA ARG A 43 -3.166 10.024 -5.131 1.00 0.00 C ATOM 701 C ARG A 43 -2.868 8.658 -5.738 1.00 0.00 C ATOM 702 O ARG A 43 -3.605 8.182 -6.596 1.00 0.00 O ATOM 703 CB ARG A 43 -2.310 11.122 -5.799 1.00 0.00 C ATOM 704 CG ARG A 43 -0.794 11.080 -5.514 1.00 0.00 C ATOM 705 CD ARG A 43 0.016 11.960 -6.476 1.00 0.00 C ATOM 706 NE ARG A 43 0.351 11.251 -7.724 1.00 0.00 N ATOM 707 CZ ARG A 43 -0.082 11.518 -8.962 1.00 0.00 C ATOM 708 NH1 ARG A 43 -1.062 12.393 -9.183 1.00 0.00 N ATOM 709 NH2 ARG A 43 0.482 10.880 -9.979 1.00 0.00 N ATOM 0 H ARG A 43 -2.441 10.756 -3.297 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.209 10.265 -5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.457 11.060 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.691 12.093 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.612 11.406 -4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.443 10.051 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.554 12.859 -6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.934 12.284 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 43 0.990 10.461 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.500 12.877 -8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.374 12.579 -10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.227 10.205 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.171 11.065 -10.933 1.00 0.00 H new ATOM 723 N PHE A 44 -1.810 8.023 -5.250 1.00 0.00 N ATOM 724 CA PHE A 44 -1.201 6.855 -5.841 1.00 0.00 C ATOM 725 C PHE A 44 -1.873 5.554 -5.389 1.00 0.00 C ATOM 726 O PHE A 44 -1.349 4.490 -5.690 1.00 0.00 O ATOM 727 CB PHE A 44 0.295 6.895 -5.495 1.00 0.00 C ATOM 728 CG PHE A 44 0.593 6.679 -4.026 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.787 5.371 -3.560 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.698 7.757 -3.127 1.00 0.00 C ATOM 731 CE1 PHE A 44 1.036 5.131 -2.201 1.00 0.00 C ATOM 732 CE2 PHE A 44 0.954 7.513 -1.765 1.00 0.00 C ATOM 733 CZ PHE A 44 1.099 6.198 -1.296 1.00 0.00 C ATOM 0 H PHE A 44 -1.339 8.326 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.333 6.871 -6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.812 6.132 -6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.702 7.859 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.744 4.543 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.582 8.770 -3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.180 4.119 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.039 8.341 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.258 6.010 -0.244 1.00 0.00 H new ATOM 743 N LEU A 45 -3.000 5.573 -4.667 1.00 0.00 N ATOM 744 CA LEU A 45 -3.680 4.375 -4.200 1.00 0.00 C ATOM 745 C LEU A 45 -3.875 3.308 -5.296 1.00 0.00 C ATOM 746 O LEU A 45 -3.519 2.159 -5.023 1.00 0.00 O ATOM 747 CB LEU A 45 -4.988 4.806 -3.517 1.00 0.00 C ATOM 748 CG LEU A 45 -5.699 3.653 -2.806 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.930 3.149 -1.577 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.104 4.078 -2.366 1.00 0.00 C ATOM 0 H LEU A 45 -3.466 6.437 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.049 3.865 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.772 5.593 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.658 5.233 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.756 2.839 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.481 2.331 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.946 2.795 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.816 3.962 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.595 3.245 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.031 4.924 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.687 4.368 -3.240 1.00 0.00 H new ATOM 762 N PRO A 46 -4.357 3.617 -6.520 1.00 0.00 N ATOM 763 CA PRO A 46 -4.450 2.610 -7.573 1.00 0.00 C ATOM 764 C PRO A 46 -3.091 2.094 -8.040 1.00 0.00 C ATOM 765 O PRO A 46 -2.991 0.921 -8.395 1.00 0.00 O ATOM 766 CB PRO A 46 -5.243 3.253 -8.715 1.00 0.00 C ATOM 767 CG PRO A 46 -5.028 4.749 -8.508 1.00 0.00 C ATOM 768 CD PRO A 46 -4.943 4.869 -6.988 1.00 0.00 C ATOM 0 HA PRO A 46 -4.953 1.721 -7.193 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.878 2.927 -9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.300 2.990 -8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.117 5.098 -8.993 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.851 5.336 -8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.328 5.721 -6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.930 5.025 -6.553 1.00 0.00 H new ATOM 776 N GLU A 47 -2.048 2.918 -8.008 1.00 0.00 N ATOM 777 CA GLU A 47 -0.707 2.553 -8.424 1.00 0.00 C ATOM 778 C GLU A 47 -0.113 1.609 -7.387 1.00 0.00 C ATOM 779 O GLU A 47 0.445 0.574 -7.738 1.00 0.00 O ATOM 780 CB GLU A 47 0.159 3.815 -8.526 1.00 0.00 C ATOM 781 CG GLU A 47 -0.338 4.808 -9.580 1.00 0.00 C ATOM 782 CD GLU A 47 0.548 6.049 -9.652 1.00 0.00 C ATOM 783 OE1 GLU A 47 0.326 7.002 -8.871 1.00 0.00 O ATOM 784 OE2 GLU A 47 1.421 6.106 -10.551 1.00 0.00 O ATOM 0 H GLU A 47 -2.119 3.882 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.740 2.062 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.184 4.309 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.183 3.526 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.362 4.321 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.361 5.104 -9.346 1.00 0.00 H new ATOM 791 N LEU A 48 -0.271 1.940 -6.100 1.00 0.00 N ATOM 792 CA LEU A 48 0.154 1.094 -5.005 1.00 0.00 C ATOM 793 C LEU A 48 -0.547 -0.232 -5.125 1.00 0.00 C ATOM 794 O LEU A 48 0.143 -1.232 -5.094 1.00 0.00 O ATOM 795 CB LEU A 48 -0.096 1.711 -3.626 1.00 0.00 C ATOM 796 CG LEU A 48 0.385 0.770 -2.492 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.224 1.494 -1.445 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.789 0.123 -1.759 1.00 0.00 C ATOM 0 H LEU A 48 -0.703 2.813 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 48 1.234 0.970 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.423 2.667 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.160 1.916 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 48 0.991 0.014 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.534 0.788 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.106 1.924 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.633 2.289 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.411 -0.529 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.415 0.899 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.379 -0.463 -2.463 1.00 0.00 H new ATOM 810 N ALA A 49 -1.872 -0.256 -5.253 1.00 0.00 N ATOM 811 CA ALA A 49 -2.610 -1.519 -5.361 1.00 0.00 C ATOM 812 C ALA A 49 -2.199 -2.298 -6.615 1.00 0.00 C ATOM 813 O ALA A 49 -2.029 -3.515 -6.527 1.00 0.00 O ATOM 814 CB ALA A 49 -4.116 -1.233 -5.364 1.00 0.00 C ATOM 0 H ALA A 49 -2.457 0.579 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.366 -2.141 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.664 -2.172 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.393 -0.729 -4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.363 -0.595 -6.212 1.00 0.00 H new ATOM 820 N ARG A 50 -1.962 -1.639 -7.758 1.00 0.00 N ATOM 821 CA ARG A 50 -1.409 -2.300 -8.940 1.00 0.00 C ATOM 822 C ARG A 50 -0.092 -2.975 -8.579 1.00 0.00 C ATOM 823 O ARG A 50 0.020 -4.191 -8.729 1.00 0.00 O ATOM 824 CB ARG A 50 -1.243 -1.339 -10.135 1.00 0.00 C ATOM 825 CG ARG A 50 -2.534 -1.194 -10.969 1.00 0.00 C ATOM 826 CD ARG A 50 -2.266 -0.839 -12.437 1.00 0.00 C ATOM 827 NE ARG A 50 -1.542 -1.932 -13.096 1.00 0.00 N ATOM 828 CZ ARG A 50 -1.427 -2.201 -14.397 1.00 0.00 C ATOM 829 NH1 ARG A 50 -1.861 -1.359 -15.330 1.00 0.00 N ATOM 830 NH2 ARG A 50 -0.837 -3.339 -14.734 1.00 0.00 N ATOM 0 H ARG A 50 -2.147 -0.644 -7.885 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.122 -3.058 -9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.941 -0.358 -9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.440 -1.700 -10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.095 -2.127 -10.924 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.162 -0.422 -10.524 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.208 -0.654 -12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.684 0.081 -12.496 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.059 -2.577 -12.471 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.297 -0.478 -15.059 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.758 -1.594 -16.317 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.492 -3.969 -14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.728 -3.585 -15.718 1.00 0.00 H new ATOM 844 N ALA A 51 0.861 -2.217 -8.041 1.00 0.00 N ATOM 845 CA ALA A 51 2.168 -2.681 -7.608 1.00 0.00 C ATOM 846 C ALA A 51 2.051 -3.823 -6.591 1.00 0.00 C ATOM 847 O ALA A 51 2.762 -4.817 -6.688 1.00 0.00 O ATOM 848 CB ALA A 51 2.928 -1.477 -7.037 1.00 0.00 C ATOM 0 H ALA A 51 0.732 -1.216 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 51 2.719 -3.093 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.915 -1.795 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.034 -0.715 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.375 -1.064 -6.193 1.00 0.00 H new ATOM 854 N LEU A 52 1.165 -3.686 -5.614 1.00 0.00 N ATOM 855 CA LEU A 52 0.848 -4.652 -4.581 1.00 0.00 C ATOM 856 C LEU A 52 0.263 -5.917 -5.189 1.00 0.00 C ATOM 857 O LEU A 52 0.486 -6.986 -4.640 1.00 0.00 O ATOM 858 CB LEU A 52 -0.150 -4.024 -3.591 1.00 0.00 C ATOM 859 CG LEU A 52 0.380 -3.650 -2.186 1.00 0.00 C ATOM 860 CD1 LEU A 52 -0.788 -3.580 -1.205 1.00 0.00 C ATOM 861 CD2 LEU A 52 1.465 -4.550 -1.579 1.00 0.00 C ATOM 0 H LEU A 52 0.612 -2.834 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 52 1.762 -4.924 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.556 -3.122 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.980 -4.719 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 52 0.871 -2.690 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.416 -3.317 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.499 -2.824 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.284 -4.550 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.743 -4.172 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.083 -5.566 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.341 -4.552 -2.227 1.00 0.00 H new ATOM 873 N GLY A 53 -0.471 -5.815 -6.295 1.00 0.00 N ATOM 874 CA GLY A 53 -1.111 -6.920 -6.991 1.00 0.00 C ATOM 875 C GLY A 53 -2.509 -7.210 -6.448 1.00 0.00 C ATOM 876 O GLY A 53 -2.866 -8.383 -6.347 1.00 0.00 O ATOM 0 H GLY A 53 -0.641 -4.917 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.177 -6.689 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.494 -7.813 -6.897 1.00 0.00 H new ATOM 880 N VAL A 54 -3.278 -6.177 -6.081 1.00 0.00 N ATOM 881 CA VAL A 54 -4.698 -6.271 -5.714 1.00 0.00 C ATOM 882 C VAL A 54 -5.453 -5.057 -6.287 1.00 0.00 C ATOM 883 O VAL A 54 -4.832 -4.172 -6.882 1.00 0.00 O ATOM 884 CB VAL A 54 -4.875 -6.413 -4.180 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.160 -7.650 -3.626 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.428 -5.167 -3.411 1.00 0.00 C ATOM 0 H VAL A 54 -2.919 -5.224 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.127 -7.173 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.947 -6.534 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.313 -7.706 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.565 -8.546 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.093 -7.579 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.576 -5.326 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.373 -4.978 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.017 -4.309 -3.735 1.00 0.00 H new ATOM 896 N ALA A 55 -6.775 -5.010 -6.142 1.00 0.00 N ATOM 897 CA ALA A 55 -7.609 -3.872 -6.521 1.00 0.00 C ATOM 898 C ALA A 55 -7.551 -2.763 -5.455 1.00 0.00 C ATOM 899 O ALA A 55 -7.293 -3.041 -4.281 1.00 0.00 O ATOM 900 CB ALA A 55 -9.045 -4.385 -6.684 1.00 0.00 C ATOM 0 H ALA A 55 -7.310 -5.783 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.248 -3.439 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.697 -3.559 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.072 -5.151 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.389 -4.811 -5.741 1.00 0.00 H new ATOM 906 N VAL A 56 -7.907 -1.524 -5.815 1.00 0.00 N ATOM 907 CA VAL A 56 -8.283 -0.485 -4.860 1.00 0.00 C ATOM 908 C VAL A 56 -9.535 -0.944 -4.120 1.00 0.00 C ATOM 909 O VAL A 56 -9.646 -0.727 -2.921 1.00 0.00 O ATOM 910 CB VAL A 56 -8.541 0.848 -5.588 1.00 0.00 C ATOM 911 CG1 VAL A 56 -8.962 1.940 -4.609 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.283 1.323 -6.309 1.00 0.00 C ATOM 0 H VAL A 56 -7.941 -1.216 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.473 -0.322 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.342 0.667 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.137 2.868 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.878 1.639 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.172 2.093 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.488 2.266 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.481 1.468 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.979 0.575 -7.042 1.00 0.00 H new ATOM 922 N ASP A 57 -10.445 -1.631 -4.807 1.00 0.00 N ATOM 923 CA ASP A 57 -11.552 -2.335 -4.179 1.00 0.00 C ATOM 924 C ASP A 57 -11.149 -3.269 -3.055 1.00 0.00 C ATOM 925 O ASP A 57 -11.755 -3.214 -1.988 1.00 0.00 O ATOM 926 CB ASP A 57 -12.325 -3.114 -5.241 1.00 0.00 C ATOM 927 CG ASP A 57 -13.658 -3.605 -4.703 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.582 -2.786 -4.514 1.00 0.00 O ATOM 929 OD2 ASP A 57 -13.740 -4.825 -4.422 1.00 0.00 O ATOM 0 H ASP A 57 -10.431 -1.713 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.174 -1.568 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.493 -2.479 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.730 -3.964 -5.577 1.00 0.00 H new ATOM 934 N TRP A 58 -10.125 -4.096 -3.255 1.00 0.00 N ATOM 935 CA TRP A 58 -9.637 -4.943 -2.184 1.00 0.00 C ATOM 936 C TRP A 58 -8.977 -4.097 -1.109 1.00 0.00 C ATOM 937 O TRP A 58 -9.134 -4.361 0.074 1.00 0.00 O ATOM 938 CB TRP A 58 -8.612 -5.933 -2.699 1.00 0.00 C ATOM 939 CG TRP A 58 -8.182 -6.898 -1.647 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.886 -7.981 -1.287 1.00 0.00 C ATOM 941 CD2 TRP A 58 -7.022 -6.877 -0.769 1.00 0.00 C ATOM 942 NE1 TRP A 58 -8.250 -8.644 -0.263 1.00 0.00 N ATOM 943 CE2 TRP A 58 -7.062 -8.033 0.064 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.945 -5.993 -0.593 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -6.041 -8.334 0.974 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.886 -6.304 0.281 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.931 -7.480 1.054 1.00 0.00 C ATOM 0 H TRP A 58 -9.626 -4.193 -4.139 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.492 -5.481 -1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.031 -6.481 -3.543 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.742 -5.392 -3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.819 -8.289 -1.736 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.613 -9.480 0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.929 -5.060 -1.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -6.107 -9.209 1.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.038 -5.640 0.359 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -4.109 -7.725 1.710 1.00 0.00 H new ATOM 958 N LEU A 59 -8.216 -3.079 -1.490 1.00 0.00 N ATOM 959 CA LEU A 59 -7.621 -2.173 -0.530 1.00 0.00 C ATOM 960 C LEU A 59 -8.676 -1.531 0.361 1.00 0.00 C ATOM 961 O LEU A 59 -8.433 -1.413 1.558 1.00 0.00 O ATOM 962 CB LEU A 59 -6.731 -1.147 -1.222 1.00 0.00 C ATOM 963 CG LEU A 59 -5.274 -1.594 -1.436 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.451 -0.338 -1.707 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.625 -2.327 -0.253 1.00 0.00 C ATOM 0 H LEU A 59 -7.999 -2.864 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.977 -2.754 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.167 -0.903 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.732 -0.230 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.291 -2.309 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.408 -0.613 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.833 0.162 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.523 0.336 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.601 -2.597 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.620 -1.675 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.193 -3.230 -0.029 1.00 0.00 H new ATOM 977 N LEU A 60 -9.801 -1.080 -0.184 1.00 0.00 N ATOM 978 CA LEU A 60 -10.860 -0.467 0.602 1.00 0.00 C ATOM 979 C LEU A 60 -11.623 -1.519 1.400 1.00 0.00 C ATOM 980 O LEU A 60 -11.678 -1.447 2.624 1.00 0.00 O ATOM 981 CB LEU A 60 -11.780 0.312 -0.345 1.00 0.00 C ATOM 982 CG LEU A 60 -11.119 1.629 -0.798 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.860 2.193 -2.003 1.00 0.00 C ATOM 984 CD2 LEU A 60 -11.105 2.683 0.319 1.00 0.00 C ATOM 0 H LEU A 60 -10.002 -1.130 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.434 0.224 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.014 -0.300 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.724 0.528 0.155 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.086 1.398 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.388 3.124 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.825 1.474 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.898 2.386 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.630 3.594 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.128 2.904 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.547 2.300 1.174 1.00 0.00 H new ATOM 996 N ASN A 61 -12.208 -2.499 0.717 1.00 0.00 N ATOM 997 CA ASN A 61 -13.164 -3.430 1.309 1.00 0.00 C ATOM 998 C ASN A 61 -12.471 -4.594 2.009 1.00 0.00 C ATOM 999 O ASN A 61 -12.995 -5.119 2.991 1.00 0.00 O ATOM 1000 CB ASN A 61 -14.094 -3.986 0.223 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.901 -2.875 -0.425 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.877 -2.389 0.140 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.481 -2.399 -1.581 1.00 0.00 N ATOM 0 H ASN A 61 -12.030 -2.671 -0.273 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.736 -2.875 2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.505 -4.502 -0.535 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.768 -4.723 0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.968 -1.617 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.669 -2.813 -2.038 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.305 -5.028 1.521 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.586 -6.171 2.064 1.00 0.00 C ATOM 1012 C GLY A 62 -11.420 -7.436 1.973 1.00 0.00 C ATOM 1013 O GLY A 62 -11.461 -8.194 2.940 1.00 0.00 O ATOM 0 H GLY A 62 -10.834 -4.588 0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.651 -6.308 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.324 -5.979 3.104 1.00 0.00 H new ATOM 1017 N ALA A 63 -12.091 -7.628 0.831 1.00 0.00 N ATOM 1018 CA ALA A 63 -13.108 -8.641 0.599 1.00 0.00 C ATOM 1019 C ALA A 63 -14.101 -8.705 1.769 1.00 0.00 C ATOM 1020 O ALA A 63 -14.084 -9.645 2.573 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.432 -9.981 0.280 1.00 0.00 C ATOM 0 H ALA A 63 -11.926 -7.049 0.008 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.709 -8.375 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.194 -10.741 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.816 -9.874 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.805 -10.281 1.120 1.00 0.00 H new