USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -155:sc= 2.19 (180deg=0.766) USER MOD Set 1.2: A 88 THR OG1 : rot -115:sc= 0.422 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.634 K(o=0.63,f=-8.4!) USER MOD Set 2.2: B 208 THR OG1 : rot 109:sc= 1.26 USER MOD Set 3.1: A 24 SER OG : rot 96:sc= 0.166 USER MOD Set 3.2: B 209 SER OG : rot 180:sc= 0.163 USER MOD Single : A 13 THR OG1 : rot -25:sc= 0.0957 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 43 TYR OH : rot 180:sc= 0.129 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -65:sc= 1.33 USER MOD Single : A 60 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.029) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.78 K(o=1.8,f=-6.9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.66 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0213) USER MOD Single : A 80 GLN : amide:sc= -0.0527 K(o=-0.053,f=-1.7!) USER MOD Single : A 84 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 87 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.8!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.032) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -0.0285 (180deg=-0.221) USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -6.797 -7.650 -6.220 1.00 0.00 N ATOM 74 CA THR A 13 -5.968 -6.494 -6.077 1.00 0.00 C ATOM 75 C THR A 13 -6.734 -5.232 -6.276 1.00 0.00 C ATOM 76 O THR A 13 -7.479 -5.066 -7.241 1.00 0.00 O ATOM 77 CB THR A 13 -4.736 -6.433 -6.930 1.00 0.00 C ATOM 78 OG1 THR A 13 -4.966 -6.831 -8.273 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.679 -7.387 -6.351 1.00 0.00 C ATOM 0 HA THR A 13 -5.619 -6.596 -5.049 1.00 0.00 H new ATOM 0 HB THR A 13 -4.409 -5.393 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.744 -7.426 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.779 -7.349 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.436 -7.085 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.071 -8.404 -6.344 1.00 0.00 H new ATOM 87 N PHE A 14 -6.549 -4.273 -5.352 1.00 0.00 N ATOM 88 CA PHE A 14 -7.155 -2.977 -5.358 1.00 0.00 C ATOM 89 C PHE A 14 -6.068 -1.968 -5.509 1.00 0.00 C ATOM 90 O PHE A 14 -5.087 -1.965 -4.766 1.00 0.00 O ATOM 91 CB PHE A 14 -8.106 -2.620 -4.204 1.00 0.00 C ATOM 92 CG PHE A 14 -7.855 -3.142 -2.830 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.614 -4.468 -2.560 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.020 -2.293 -1.761 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.422 -4.919 -1.275 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.846 -2.732 -0.469 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.540 -4.048 -0.217 1.00 0.00 C ATOM 0 H PHE A 14 -5.936 -4.412 -4.549 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.845 -2.981 -6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.135 -1.533 -4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.104 -2.948 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.574 -5.173 -3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.291 -1.263 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.179 -5.956 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.950 -2.038 0.352 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.394 -4.393 0.796 1.00 0.00 H new ATOM 107 N GLU A 15 -6.197 -1.077 -6.508 1.00 0.00 N ATOM 108 CA GLU A 15 -5.298 0.015 -6.717 1.00 0.00 C ATOM 109 C GLU A 15 -5.919 1.247 -6.154 1.00 0.00 C ATOM 110 O GLU A 15 -6.608 2.015 -6.823 1.00 0.00 O ATOM 111 CB GLU A 15 -4.912 0.214 -8.193 1.00 0.00 C ATOM 112 CG GLU A 15 -4.313 -1.008 -8.890 1.00 0.00 C ATOM 113 CD GLU A 15 -3.806 -0.709 -10.294 1.00 0.00 C ATOM 114 OE1 GLU A 15 -3.909 0.453 -10.770 1.00 0.00 O ATOM 115 OE2 GLU A 15 -3.275 -1.651 -10.940 1.00 0.00 O ATOM 0 H GLU A 15 -6.952 -1.118 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.363 -0.211 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.800 0.525 -8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.195 1.033 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.490 -1.395 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.066 -1.794 -8.942 1.00 0.00 H new ATOM 122 N VAL A 16 -5.720 1.454 -4.841 1.00 0.00 N ATOM 123 CA VAL A 16 -6.262 2.517 -4.052 1.00 0.00 C ATOM 124 C VAL A 16 -5.476 3.773 -4.210 1.00 0.00 C ATOM 125 O VAL A 16 -4.309 3.823 -3.825 1.00 0.00 O ATOM 126 CB VAL A 16 -6.214 2.086 -2.616 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.649 3.203 -1.653 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.096 0.840 -2.424 1.00 0.00 C ATOM 0 H VAL A 16 -5.134 0.828 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.282 2.721 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.178 1.848 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.596 2.840 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.987 4.061 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.673 3.501 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.061 0.527 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.124 1.076 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.728 0.033 -3.058 1.00 0.00 H new ATOM 138 N GLU A 17 -6.033 4.864 -4.765 1.00 0.00 N ATOM 139 CA GLU A 17 -5.285 6.052 -5.040 1.00 0.00 C ATOM 140 C GLU A 17 -5.640 7.134 -4.079 1.00 0.00 C ATOM 141 O GLU A 17 -6.787 7.552 -3.933 1.00 0.00 O ATOM 142 CB GLU A 17 -5.306 6.464 -6.521 1.00 0.00 C ATOM 143 CG GLU A 17 -6.135 7.686 -6.925 1.00 0.00 C ATOM 144 CD GLU A 17 -6.375 7.748 -8.426 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.888 6.747 -8.994 1.00 0.00 O ATOM 146 OE2 GLU A 17 -6.091 8.804 -9.052 1.00 0.00 O ATOM 0 H GLU A 17 -7.017 4.923 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.232 5.829 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.276 6.644 -6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.667 5.612 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.093 7.660 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.623 8.593 -6.603 1.00 0.00 H new ATOM 153 N LEU A 18 -4.631 7.577 -3.308 1.00 0.00 N ATOM 154 CA LEU A 18 -4.787 8.470 -2.202 1.00 0.00 C ATOM 155 C LEU A 18 -3.880 9.637 -2.390 1.00 0.00 C ATOM 156 O LEU A 18 -3.140 9.728 -3.368 1.00 0.00 O ATOM 157 CB LEU A 18 -4.355 7.783 -0.895 1.00 0.00 C ATOM 158 CG LEU A 18 -4.993 6.406 -0.644 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.249 5.767 0.542 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.518 6.478 -0.455 1.00 0.00 C ATOM 0 H LEU A 18 -3.662 7.300 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.833 8.771 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.271 7.669 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.600 8.438 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.881 5.772 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.674 4.785 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.193 5.660 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.352 6.403 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.911 5.476 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.749 7.112 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.976 6.897 -1.351 1.00 0.00 H new ATOM 172 N ALA A 19 -3.885 10.568 -1.420 1.00 0.00 N ATOM 173 CA ALA A 19 -2.854 11.544 -1.248 1.00 0.00 C ATOM 174 C ALA A 19 -2.540 11.564 0.208 1.00 0.00 C ATOM 175 O ALA A 19 -3.435 11.671 1.046 1.00 0.00 O ATOM 176 CB ALA A 19 -3.289 12.928 -1.760 1.00 0.00 C ATOM 0 H ALA A 19 -4.633 10.644 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.970 11.287 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.479 13.642 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.527 12.865 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.170 13.259 -1.210 1.00 0.00 H new ATOM 182 N LYS A 20 -1.258 11.404 0.583 1.00 0.00 N ATOM 183 CA LYS A 20 -0.826 11.285 1.942 1.00 0.00 C ATOM 184 C LYS A 20 -1.002 12.546 2.715 1.00 0.00 C ATOM 185 O LYS A 20 -0.864 13.649 2.187 1.00 0.00 O ATOM 186 CB LYS A 20 0.631 10.816 2.087 1.00 0.00 C ATOM 187 CG LYS A 20 1.215 9.995 0.936 1.00 0.00 C ATOM 188 CD LYS A 20 2.365 10.708 0.222 1.00 0.00 C ATOM 189 CE LYS A 20 3.719 10.468 0.893 1.00 0.00 C ATOM 190 NZ LYS A 20 4.800 11.290 0.305 1.00 0.00 N ATOM 0 H LYS A 20 -0.491 11.356 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.476 10.515 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.258 11.697 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.707 10.223 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.570 9.039 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.427 9.776 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.412 10.367 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.162 11.779 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.637 10.690 1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.981 9.414 0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.716 10.824 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.639 11.396 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.806 12.228 0.754 1.00 0.00 H new ATOM 204 N THR A 21 -1.304 12.449 4.022 1.00 0.00 N ATOM 205 CA THR A 21 -1.469 13.570 4.893 1.00 0.00 C ATOM 206 C THR A 21 -0.203 13.810 5.642 1.00 0.00 C ATOM 207 O THR A 21 0.094 13.218 6.678 1.00 0.00 O ATOM 208 CB THR A 21 -2.700 13.508 5.750 1.00 0.00 C ATOM 209 OG1 THR A 21 -2.857 14.667 6.554 1.00 0.00 O ATOM 210 CG2 THR A 21 -2.773 12.275 6.665 1.00 0.00 C ATOM 0 H THR A 21 -1.439 11.553 4.490 1.00 0.00 H new ATOM 0 HA THR A 21 -1.661 14.450 4.279 1.00 0.00 H new ATOM 0 HB THR A 21 -3.512 13.440 5.026 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.671 14.583 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.693 12.309 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.762 11.370 6.058 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.916 12.270 7.338 1.00 0.00 H new ATOM 218 N ASP A 22 0.644 14.690 5.079 1.00 0.00 N ATOM 219 CA ASP A 22 1.876 15.148 5.641 1.00 0.00 C ATOM 220 C ASP A 22 2.916 14.090 5.784 1.00 0.00 C ATOM 221 O ASP A 22 3.803 14.164 6.633 1.00 0.00 O ATOM 222 CB ASP A 22 1.590 15.919 6.940 1.00 0.00 C ATOM 223 CG ASP A 22 2.371 17.222 7.024 1.00 0.00 C ATOM 224 OD1 ASP A 22 2.191 18.075 6.115 1.00 0.00 O ATOM 225 OD2 ASP A 22 3.145 17.407 8.001 1.00 0.00 O ATOM 0 H ASP A 22 0.454 15.109 4.169 1.00 0.00 H new ATOM 0 HA ASP A 22 2.331 15.836 4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.523 16.133 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.842 15.292 7.795 1.00 0.00 H new ATOM 230 N GLY A 23 2.841 13.040 4.946 1.00 0.00 N ATOM 231 CA GLY A 23 3.636 11.856 5.052 1.00 0.00 C ATOM 232 C GLY A 23 3.015 10.824 5.930 1.00 0.00 C ATOM 233 O GLY A 23 3.543 10.499 6.993 1.00 0.00 O ATOM 0 H GLY A 23 2.195 13.016 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.790 11.436 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.619 12.117 5.444 1.00 0.00 H new ATOM 237 N SER A 24 1.859 10.282 5.508 1.00 0.00 N ATOM 238 CA SER A 24 1.053 9.356 6.241 1.00 0.00 C ATOM 239 C SER A 24 -0.119 9.066 5.368 1.00 0.00 C ATOM 240 O SER A 24 -0.947 9.922 5.061 1.00 0.00 O ATOM 241 CB SER A 24 0.536 9.849 7.603 1.00 0.00 C ATOM 242 OG SER A 24 -0.301 8.916 8.272 1.00 0.00 O ATOM 0 H SER A 24 1.462 10.506 4.595 1.00 0.00 H new ATOM 0 HA SER A 24 1.676 8.494 6.478 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.388 10.081 8.242 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.016 10.778 7.457 1.00 0.00 H new ATOM 0 HG SER A 24 0.231 8.402 8.915 1.00 0.00 H new ATOM 248 N LEU A 25 -0.213 7.807 4.905 1.00 0.00 N ATOM 249 CA LEU A 25 -1.398 7.219 4.360 1.00 0.00 C ATOM 250 C LEU A 25 -2.256 6.845 5.520 1.00 0.00 C ATOM 251 O LEU A 25 -3.484 6.928 5.531 1.00 0.00 O ATOM 252 CB LEU A 25 -1.008 5.928 3.621 1.00 0.00 C ATOM 253 CG LEU A 25 0.180 6.050 2.653 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.868 4.677 2.552 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.231 6.640 1.293 1.00 0.00 C ATOM 0 H LEU A 25 0.580 7.165 4.911 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.906 7.901 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.773 5.163 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.874 5.575 3.062 1.00 0.00 H new ATOM 0 HG LEU A 25 0.903 6.767 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.715 4.744 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.220 4.373 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.157 3.940 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.643 6.706 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.979 5.997 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.649 7.636 1.440 1.00 0.00 H new ATOM 267 N GLY A 26 -1.586 6.402 6.598 1.00 0.00 N ATOM 268 CA GLY A 26 -2.203 6.128 7.858 1.00 0.00 C ATOM 269 C GLY A 26 -2.389 4.658 8.013 1.00 0.00 C ATOM 270 O GLY A 26 -3.442 4.184 8.435 1.00 0.00 O ATOM 0 H GLY A 26 -0.581 6.229 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.585 6.514 8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.166 6.635 7.921 1.00 0.00 H new ATOM 274 N ILE A 27 -1.334 3.911 7.644 1.00 0.00 N ATOM 275 CA ILE A 27 -1.278 2.502 7.881 1.00 0.00 C ATOM 276 C ILE A 27 0.007 2.189 8.569 1.00 0.00 C ATOM 277 O ILE A 27 1.069 2.694 8.211 1.00 0.00 O ATOM 278 CB ILE A 27 -1.511 1.722 6.621 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.561 2.157 5.493 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.990 1.907 6.242 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.849 1.471 4.158 1.00 0.00 C ATOM 0 H ILE A 27 -0.510 4.288 7.176 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.088 2.192 8.541 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.295 0.666 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.635 3.237 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.466 1.942 5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.203 1.354 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.622 1.533 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.195 2.966 6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.142 1.824 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.746 0.392 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.864 1.707 3.839 1.00 0.00 H new ATOM 293 N SER A 28 -0.079 1.372 9.634 1.00 0.00 N ATOM 294 CA SER A 28 1.021 0.915 10.426 1.00 0.00 C ATOM 295 C SER A 28 1.597 -0.350 9.892 1.00 0.00 C ATOM 296 O SER A 28 1.002 -1.419 10.020 1.00 0.00 O ATOM 297 CB SER A 28 0.666 0.603 11.889 1.00 0.00 C ATOM 298 OG SER A 28 0.252 1.769 12.585 1.00 0.00 O ATOM 0 H SER A 28 -0.974 1.008 9.962 1.00 0.00 H new ATOM 0 HA SER A 28 1.720 1.750 10.381 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.129 -0.142 11.920 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.531 0.167 12.389 1.00 0.00 H new ATOM 0 HG SER A 28 0.032 1.536 13.511 1.00 0.00 H new ATOM 304 N VAL A 29 2.801 -0.281 9.295 1.00 0.00 N ATOM 305 CA VAL A 29 3.372 -1.385 8.589 1.00 0.00 C ATOM 306 C VAL A 29 3.984 -2.469 9.408 1.00 0.00 C ATOM 307 O VAL A 29 4.698 -2.233 10.381 1.00 0.00 O ATOM 308 CB VAL A 29 4.351 -0.901 7.561 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.568 -0.141 6.477 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.441 -0.028 8.206 1.00 0.00 C ATOM 0 H VAL A 29 3.387 0.554 9.303 1.00 0.00 H new ATOM 0 HA VAL A 29 2.510 -1.862 8.124 1.00 0.00 H new ATOM 0 HB VAL A 29 4.868 -1.745 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.259 0.222 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.841 -0.810 6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.049 0.704 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.138 0.310 7.439 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.980 0.837 8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.979 -0.611 8.954 1.00 0.00 H new ATOM 320 N THR A 30 3.741 -3.739 9.036 1.00 0.00 N ATOM 321 CA THR A 30 4.347 -4.897 9.615 1.00 0.00 C ATOM 322 C THR A 30 4.828 -5.819 8.548 1.00 0.00 C ATOM 323 O THR A 30 4.515 -5.682 7.367 1.00 0.00 O ATOM 324 CB THR A 30 3.473 -5.610 10.604 1.00 0.00 C ATOM 325 OG1 THR A 30 4.101 -6.682 11.293 1.00 0.00 O ATOM 326 CG2 THR A 30 2.205 -6.184 9.951 1.00 0.00 C ATOM 0 H THR A 30 3.085 -3.969 8.290 1.00 0.00 H new ATOM 0 HA THR A 30 5.201 -4.542 10.192 1.00 0.00 H new ATOM 0 HB THR A 30 3.233 -4.827 11.323 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.463 -7.088 11.916 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.604 -6.691 10.706 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.625 -5.374 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.486 -6.895 9.174 1.00 0.00 H new ATOM 334 N GLY A 31 5.663 -6.800 8.937 1.00 0.00 N ATOM 335 CA GLY A 31 6.283 -7.747 8.063 1.00 0.00 C ATOM 336 C GLY A 31 7.574 -7.254 7.506 1.00 0.00 C ATOM 337 O GLY A 31 8.446 -6.785 8.236 1.00 0.00 O ATOM 0 H GLY A 31 5.919 -6.939 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.457 -8.676 8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.603 -7.979 7.243 1.00 0.00 H new ATOM 341 N GLY A 32 7.744 -7.363 6.175 1.00 0.00 N ATOM 342 CA GLY A 32 8.954 -7.041 5.483 1.00 0.00 C ATOM 343 C GLY A 32 9.930 -8.167 5.509 1.00 0.00 C ATOM 344 O GLY A 32 9.883 -9.035 6.379 1.00 0.00 O ATOM 0 H GLY A 32 7.004 -7.690 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.723 -6.786 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.407 -6.159 5.936 1.00 0.00 H new ATOM 348 N VAL A 33 10.921 -8.184 4.601 1.00 0.00 N ATOM 349 CA VAL A 33 11.875 -9.244 4.493 1.00 0.00 C ATOM 350 C VAL A 33 12.872 -9.332 5.597 1.00 0.00 C ATOM 351 O VAL A 33 13.850 -10.074 5.524 1.00 0.00 O ATOM 352 CB VAL A 33 12.599 -9.248 3.179 1.00 0.00 C ATOM 353 CG1 VAL A 33 11.573 -9.333 2.037 1.00 0.00 C ATOM 354 CG2 VAL A 33 13.530 -8.038 2.994 1.00 0.00 C ATOM 0 H VAL A 33 11.063 -7.437 3.921 1.00 0.00 H new ATOM 0 HA VAL A 33 11.244 -10.129 4.570 1.00 0.00 H new ATOM 0 HB VAL A 33 13.248 -10.123 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.094 -9.336 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.992 -10.250 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.905 -8.473 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.022 -8.103 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.946 -7.119 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.282 -8.034 3.783 1.00 0.00 H new ATOM 467 N GLY A 41 7.096 -8.688 1.146 1.00 0.00 N ATOM 468 CA GLY A 41 6.108 -7.681 0.915 1.00 0.00 C ATOM 469 C GLY A 41 5.935 -6.972 2.214 1.00 0.00 C ATOM 470 O GLY A 41 6.556 -7.369 3.200 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.428 -6.992 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.169 -8.124 0.584 1.00 0.00 H new ATOM 474 N ILE A 42 5.098 -5.924 2.289 1.00 0.00 N ATOM 475 CA ILE A 42 4.768 -5.319 3.543 1.00 0.00 C ATOM 476 C ILE A 42 3.310 -5.541 3.762 1.00 0.00 C ATOM 477 O ILE A 42 2.560 -5.822 2.830 1.00 0.00 O ATOM 478 CB ILE A 42 5.253 -3.906 3.674 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.483 -3.453 5.126 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.319 -2.860 3.042 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.727 -4.052 5.780 1.00 0.00 C ATOM 0 H ILE A 42 4.648 -5.494 1.481 1.00 0.00 H new ATOM 0 HA ILE A 42 5.309 -5.792 4.363 1.00 0.00 H new ATOM 0 HB ILE A 42 6.199 -3.945 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.563 -2.366 5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.609 -3.720 5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.741 -1.865 3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.212 -3.064 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.341 -2.909 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.815 -3.682 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.643 -5.139 5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.611 -3.764 5.212 1.00 0.00 H new ATOM 493 N TYR A 43 2.830 -5.548 5.019 1.00 0.00 N ATOM 494 CA TYR A 43 1.510 -6.009 5.320 1.00 0.00 C ATOM 495 C TYR A 43 0.966 -5.056 6.328 1.00 0.00 C ATOM 496 O TYR A 43 1.708 -4.485 7.126 1.00 0.00 O ATOM 497 CB TYR A 43 1.533 -7.415 5.944 1.00 0.00 C ATOM 498 CG TYR A 43 2.160 -8.438 5.060 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.528 -8.539 4.969 1.00 0.00 C ATOM 500 CD2 TYR A 43 1.387 -9.318 4.341 1.00 0.00 C ATOM 501 CE1 TYR A 43 4.115 -9.439 4.111 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.964 -10.240 3.500 1.00 0.00 C ATOM 503 CZ TYR A 43 3.332 -10.295 3.373 1.00 0.00 C ATOM 504 OH TYR A 43 3.937 -11.234 2.511 1.00 0.00 O ATOM 0 H TYR A 43 3.360 -5.232 5.831 1.00 0.00 H new ATOM 0 HA TYR A 43 0.912 -6.059 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.076 -7.378 6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.512 -7.720 6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.151 -7.902 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.312 -9.285 4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.190 -9.473 4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.342 -10.922 2.939 1.00 0.00 H new ATOM 0 HH TYR A 43 3.243 -11.763 2.064 1.00 0.00 H new ATOM 514 N VAL A 44 -0.358 -4.821 6.335 1.00 0.00 N ATOM 515 CA VAL A 44 -0.975 -3.945 7.284 1.00 0.00 C ATOM 516 C VAL A 44 -1.034 -4.562 8.639 1.00 0.00 C ATOM 517 O VAL A 44 -1.578 -5.649 8.825 1.00 0.00 O ATOM 518 CB VAL A 44 -2.382 -3.673 6.841 1.00 0.00 C ATOM 519 CG1 VAL A 44 -3.199 -2.905 7.895 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.364 -2.895 5.515 1.00 0.00 C ATOM 0 H VAL A 44 -1.010 -5.244 5.674 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.384 -3.031 7.337 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.872 -4.637 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.209 -2.736 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.246 -3.488 8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.722 -1.946 8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.387 -2.698 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.839 -1.950 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.853 -3.485 4.754 1.00 0.00 H new ATOM 530 N LYS A 45 -0.541 -3.855 9.671 1.00 0.00 N ATOM 531 CA LYS A 45 -0.808 -4.217 11.028 1.00 0.00 C ATOM 532 C LYS A 45 -2.071 -3.557 11.459 1.00 0.00 C ATOM 533 O LYS A 45 -3.077 -4.218 11.711 1.00 0.00 O ATOM 534 CB LYS A 45 0.347 -3.876 11.986 1.00 0.00 C ATOM 535 CG LYS A 45 0.536 -4.890 13.115 1.00 0.00 C ATOM 536 CD LYS A 45 -0.622 -4.970 14.113 1.00 0.00 C ATOM 537 CE LYS A 45 -0.401 -6.033 15.191 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.588 -6.096 16.073 1.00 0.00 N ATOM 0 H LYS A 45 0.046 -3.028 9.564 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.913 -5.301 11.072 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.272 -3.807 11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.167 -2.893 12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.686 -5.876 12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.448 -4.641 13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.754 -3.998 14.589 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.545 -5.190 13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.226 -7.004 14.728 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.487 -5.794 15.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.438 -6.819 16.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.735 -5.171 16.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.426 -6.343 15.510 1.00 0.00 H new ATOM 552 N ALA A 46 -2.058 -2.214 11.539 1.00 0.00 N ATOM 553 CA ALA A 46 -3.138 -1.421 12.041 1.00 0.00 C ATOM 554 C ALA A 46 -3.586 -0.407 11.046 1.00 0.00 C ATOM 555 O ALA A 46 -2.787 0.309 10.445 1.00 0.00 O ATOM 556 CB ALA A 46 -2.738 -0.744 13.362 1.00 0.00 C ATOM 0 H ALA A 46 -1.258 -1.656 11.240 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.979 -2.088 12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.571 -0.145 13.730 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.485 -1.506 14.099 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.874 -0.101 13.194 1.00 0.00 H new ATOM 562 N ILE A 47 -4.915 -0.306 10.857 1.00 0.00 N ATOM 563 CA ILE A 47 -5.560 0.734 10.119 1.00 0.00 C ATOM 564 C ILE A 47 -5.942 1.789 11.099 1.00 0.00 C ATOM 565 O ILE A 47 -6.414 1.491 12.194 1.00 0.00 O ATOM 566 CB ILE A 47 -6.781 0.254 9.393 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.463 -0.897 8.423 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.478 1.386 8.618 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.460 -0.535 7.329 1.00 0.00 C ATOM 0 H ILE A 47 -5.572 -0.986 11.240 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.876 1.109 9.357 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.457 -0.112 10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.073 -1.740 8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.390 -1.229 7.955 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.357 0.991 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.783 2.169 9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.789 1.802 7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.291 -1.401 6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.854 0.287 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.518 -0.232 7.785 1.00 0.00 H new ATOM 581 N ILE A 48 -5.731 3.073 10.754 1.00 0.00 N ATOM 582 CA ILE A 48 -6.108 4.183 11.573 1.00 0.00 C ATOM 583 C ILE A 48 -7.568 4.455 11.453 1.00 0.00 C ATOM 584 O ILE A 48 -8.058 4.337 10.332 1.00 0.00 O ATOM 585 CB ILE A 48 -5.334 5.387 11.123 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.860 5.183 11.510 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.853 6.730 11.664 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.011 6.373 11.064 1.00 0.00 C ATOM 0 H ILE A 48 -5.285 3.346 9.879 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.889 3.955 12.616 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.460 5.461 10.043 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.777 5.056 12.589 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.482 4.269 11.052 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.230 7.540 11.284 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.882 6.880 11.338 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.815 6.723 12.753 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.972 6.206 11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.078 6.482 9.982 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.377 7.281 11.543 1.00 0.00 H new ATOM 643 N ALA A 52 -5.780 8.785 5.661 1.00 0.00 N ATOM 644 CA ALA A 52 -5.973 8.798 4.245 1.00 0.00 C ATOM 645 C ALA A 52 -6.381 7.479 3.683 1.00 0.00 C ATOM 646 O ALA A 52 -7.294 7.391 2.864 1.00 0.00 O ATOM 647 CB ALA A 52 -4.682 9.300 3.575 1.00 0.00 C ATOM 0 HA ALA A 52 -6.804 9.471 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.816 9.315 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.457 10.307 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.857 8.634 3.830 1.00 0.00 H new ATOM 653 N ALA A 53 -5.736 6.374 4.099 1.00 0.00 N ATOM 654 CA ALA A 53 -5.950 5.054 3.592 1.00 0.00 C ATOM 655 C ALA A 53 -7.239 4.415 3.980 1.00 0.00 C ATOM 656 O ALA A 53 -7.918 3.871 3.111 1.00 0.00 O ATOM 657 CB ALA A 53 -4.765 4.160 3.994 1.00 0.00 C ATOM 0 H ALA A 53 -5.025 6.404 4.830 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.018 5.162 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.923 3.152 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.844 4.567 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.687 4.126 5.081 1.00 0.00 H new ATOM 663 N GLU A 54 -7.685 4.479 5.247 1.00 0.00 N ATOM 664 CA GLU A 54 -8.950 3.942 5.639 1.00 0.00 C ATOM 665 C GLU A 54 -10.098 4.537 4.899 1.00 0.00 C ATOM 666 O GLU A 54 -11.139 3.918 4.679 1.00 0.00 O ATOM 667 CB GLU A 54 -9.254 4.074 7.141 1.00 0.00 C ATOM 668 CG GLU A 54 -10.592 3.415 7.482 1.00 0.00 C ATOM 669 CD GLU A 54 -10.868 3.095 8.944 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.150 4.044 9.723 1.00 0.00 O ATOM 671 OE2 GLU A 54 -10.925 1.881 9.280 1.00 0.00 O ATOM 0 H GLU A 54 -7.161 4.909 6.009 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.848 2.886 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.456 3.610 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.280 5.127 7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.389 4.068 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.663 2.486 6.916 1.00 0.00 H new ATOM 678 N SER A 55 -9.928 5.784 4.422 1.00 0.00 N ATOM 679 CA SER A 55 -10.899 6.433 3.597 1.00 0.00 C ATOM 680 C SER A 55 -11.312 5.714 2.360 1.00 0.00 C ATOM 681 O SER A 55 -12.441 5.885 1.902 1.00 0.00 O ATOM 682 CB SER A 55 -10.543 7.880 3.222 1.00 0.00 C ATOM 683 OG SER A 55 -9.695 8.026 2.092 1.00 0.00 O ATOM 0 H SER A 55 -9.102 6.351 4.613 1.00 0.00 H new ATOM 0 HA SER A 55 -11.756 6.426 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.467 8.427 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.062 8.352 4.079 1.00 0.00 H new ATOM 0 HG SER A 55 -8.819 7.633 2.288 1.00 0.00 H new ATOM 689 N ASP A 56 -10.442 4.861 1.791 1.00 0.00 N ATOM 690 CA ASP A 56 -10.759 3.957 0.730 1.00 0.00 C ATOM 691 C ASP A 56 -11.894 3.066 1.103 1.00 0.00 C ATOM 692 O ASP A 56 -13.019 3.221 0.630 1.00 0.00 O ATOM 693 CB ASP A 56 -9.512 3.145 0.344 1.00 0.00 C ATOM 694 CG ASP A 56 -9.843 2.150 -0.758 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.091 2.588 -1.913 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.986 0.944 -0.419 1.00 0.00 O ATOM 0 H ASP A 56 -9.468 4.799 2.087 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.077 4.535 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.722 3.818 0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.131 2.616 1.217 1.00 0.00 H new ATOM 701 N GLY A 57 -11.628 2.087 1.985 1.00 0.00 N ATOM 702 CA GLY A 57 -12.653 1.364 2.672 1.00 0.00 C ATOM 703 C GLY A 57 -12.655 -0.090 2.348 1.00 0.00 C ATOM 704 O GLY A 57 -13.332 -0.879 3.007 1.00 0.00 O ATOM 0 H GLY A 57 -10.682 1.791 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.522 1.491 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.624 1.789 2.417 1.00 0.00 H new ATOM 708 N ARG A 58 -11.876 -0.517 1.338 1.00 0.00 N ATOM 709 CA ARG A 58 -11.709 -1.902 1.023 1.00 0.00 C ATOM 710 C ARG A 58 -10.738 -2.538 1.958 1.00 0.00 C ATOM 711 O ARG A 58 -10.828 -3.730 2.251 1.00 0.00 O ATOM 712 CB ARG A 58 -11.249 -2.057 -0.437 1.00 0.00 C ATOM 713 CG ARG A 58 -12.218 -1.483 -1.473 1.00 0.00 C ATOM 714 CD ARG A 58 -11.603 -1.416 -2.871 1.00 0.00 C ATOM 715 NE ARG A 58 -12.581 -0.758 -3.783 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.582 -1.385 -4.466 1.00 0.00 C ATOM 717 NH1 ARG A 58 -13.711 -2.744 -4.499 1.00 0.00 N ATOM 718 NH2 ARG A 58 -14.468 -0.620 -5.167 1.00 0.00 N ATOM 0 H ARG A 58 -11.352 0.111 0.729 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.667 -2.409 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.282 -1.569 -0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.099 -3.116 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.118 -2.097 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.524 -0.483 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.669 -0.855 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.365 -2.418 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.494 0.251 -3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.043 -3.332 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.475 -3.171 -5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.373 0.396 -5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.226 -1.064 -5.686 1.00 0.00 H new ATOM 732 N ILE A 59 -9.797 -1.742 2.494 1.00 0.00 N ATOM 733 CA ILE A 59 -8.782 -2.130 3.424 1.00 0.00 C ATOM 734 C ILE A 59 -9.288 -2.460 4.787 1.00 0.00 C ATOM 735 O ILE A 59 -10.233 -1.854 5.289 1.00 0.00 O ATOM 736 CB ILE A 59 -7.717 -1.088 3.592 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.740 0.017 2.524 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.364 -1.817 3.643 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.624 1.048 2.690 1.00 0.00 C ATOM 0 H ILE A 59 -9.742 -0.751 2.259 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.372 -3.032 2.969 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.903 -0.548 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.658 -0.440 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.703 0.526 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.563 -1.088 3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.356 -2.510 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.214 -2.370 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.701 1.798 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.717 1.532 3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.656 0.551 2.624 1.00 0.00 H new ATOM 751 N HIS A 60 -8.642 -3.420 5.473 1.00 0.00 N ATOM 752 CA HIS A 60 -8.812 -3.655 6.873 1.00 0.00 C ATOM 753 C HIS A 60 -7.534 -4.167 7.446 1.00 0.00 C ATOM 754 O HIS A 60 -6.486 -4.152 6.801 1.00 0.00 O ATOM 755 CB HIS A 60 -9.995 -4.598 7.152 1.00 0.00 C ATOM 756 CG HIS A 60 -9.814 -5.971 6.579 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.729 -7.065 7.417 1.00 0.00 N ATOM 758 CD2 HIS A 60 -9.529 -6.328 5.298 1.00 0.00 C ATOM 759 CE1 HIS A 60 -9.350 -8.062 6.639 1.00 0.00 C ATOM 760 NE2 HIS A 60 -9.205 -7.668 5.345 1.00 0.00 N ATOM 0 H HIS A 60 -7.976 -4.057 5.036 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.058 -2.714 7.365 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.139 -4.679 8.229 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.904 -4.159 6.741 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.552 -5.693 4.424 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.176 -9.069 6.988 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.913 -8.251 4.561 1.00 0.00 H new ATOM 768 N LYS A 61 -7.511 -4.617 8.713 1.00 0.00 N ATOM 769 CA LYS A 61 -6.316 -5.105 9.328 1.00 0.00 C ATOM 770 C LYS A 61 -5.977 -6.492 8.899 1.00 0.00 C ATOM 771 O LYS A 61 -6.434 -7.478 9.473 1.00 0.00 O ATOM 772 CB LYS A 61 -6.404 -5.080 10.863 1.00 0.00 C ATOM 773 CG LYS A 61 -6.405 -3.676 11.470 1.00 0.00 C ATOM 774 CD LYS A 61 -6.178 -3.689 12.983 1.00 0.00 C ATOM 775 CE LYS A 61 -7.329 -4.227 13.836 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.353 -3.183 14.070 1.00 0.00 N ATOM 0 H LYS A 61 -8.332 -4.643 9.318 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.529 -4.428 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.312 -5.597 11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.563 -5.640 11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.627 -3.078 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.357 -3.191 11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.290 -4.286 13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.960 -2.671 13.305 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.785 -5.083 13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.943 -4.582 14.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.122 -3.575 14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.921 -2.377 14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.737 -2.863 13.158 1.00 0.00 H new ATOM 790 N GLY A 62 -5.129 -6.624 7.862 1.00 0.00 N ATOM 791 CA GLY A 62 -4.673 -7.902 7.413 1.00 0.00 C ATOM 792 C GLY A 62 -4.157 -7.917 6.015 1.00 0.00 C ATOM 793 O GLY A 62 -3.459 -8.849 5.621 1.00 0.00 O ATOM 0 H GLY A 62 -4.757 -5.837 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.885 -8.248 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.494 -8.615 7.492 1.00 0.00 H new ATOM 797 N ASP A 63 -4.509 -6.913 5.193 1.00 0.00 N ATOM 798 CA ASP A 63 -4.212 -6.898 3.794 1.00 0.00 C ATOM 799 C ASP A 63 -2.773 -6.718 3.454 1.00 0.00 C ATOM 800 O ASP A 63 -1.979 -6.164 4.212 1.00 0.00 O ATOM 801 CB ASP A 63 -5.063 -5.834 3.079 1.00 0.00 C ATOM 802 CG ASP A 63 -6.539 -6.061 3.372 1.00 0.00 C ATOM 803 OD1 ASP A 63 -7.027 -7.210 3.196 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.188 -5.070 3.801 1.00 0.00 O ATOM 0 H ASP A 63 -5.015 -6.087 5.511 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.468 -7.896 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.768 -4.838 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.887 -5.878 2.004 1.00 0.00 H new ATOM 809 N ARG A 64 -2.360 -7.226 2.279 1.00 0.00 N ATOM 810 CA ARG A 64 -0.989 -7.277 1.874 1.00 0.00 C ATOM 811 C ARG A 64 -0.692 -6.250 0.837 1.00 0.00 C ATOM 812 O ARG A 64 -1.297 -6.171 -0.230 1.00 0.00 O ATOM 813 CB ARG A 64 -0.507 -8.708 1.581 1.00 0.00 C ATOM 814 CG ARG A 64 -0.892 -9.406 0.276 1.00 0.00 C ATOM 815 CD ARG A 64 0.080 -9.281 -0.900 1.00 0.00 C ATOM 816 NE ARG A 64 1.401 -9.816 -0.467 1.00 0.00 N ATOM 817 CZ ARG A 64 2.098 -10.844 -1.031 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.689 -11.499 -2.157 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.269 -11.237 -0.451 1.00 0.00 N ATOM 0 H ARG A 64 -3.002 -7.614 1.588 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.365 -6.990 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.582 -8.697 1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.857 -9.339 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.030 -10.466 0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.859 -9.016 -0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.292 -9.836 -1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.173 -8.239 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 64 1.832 -9.364 0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.822 -11.226 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.250 -12.262 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.607 -10.764 0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.807 -12.004 -0.856 1.00 0.00 H new ATOM 833 N VAL A 65 0.271 -5.369 1.169 1.00 0.00 N ATOM 834 CA VAL A 65 0.726 -4.231 0.433 1.00 0.00 C ATOM 835 C VAL A 65 1.836 -4.714 -0.437 1.00 0.00 C ATOM 836 O VAL A 65 2.903 -5.109 0.031 1.00 0.00 O ATOM 837 CB VAL A 65 1.144 -3.174 1.411 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.952 -2.001 0.830 1.00 0.00 C ATOM 839 CG2 VAL A 65 -0.129 -2.615 2.069 1.00 0.00 C ATOM 0 H VAL A 65 0.782 -5.468 2.046 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.039 -3.781 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 65 1.820 -3.664 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.199 -1.299 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.871 -2.379 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.360 -1.492 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.142 -1.842 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.777 -2.188 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.656 -3.419 2.583 1.00 0.00 H new ATOM 849 N LEU A 66 1.590 -4.774 -1.758 1.00 0.00 N ATOM 850 CA LEU A 66 2.534 -5.266 -2.714 1.00 0.00 C ATOM 851 C LEU A 66 3.269 -4.170 -3.405 1.00 0.00 C ATOM 852 O LEU A 66 4.463 -4.314 -3.661 1.00 0.00 O ATOM 853 CB LEU A 66 1.934 -6.291 -3.692 1.00 0.00 C ATOM 854 CG LEU A 66 0.686 -5.884 -4.492 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.658 -6.598 -5.854 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.611 -6.216 -3.734 1.00 0.00 C ATOM 0 H LEU A 66 0.709 -4.472 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 66 3.277 -5.818 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.711 -6.567 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.688 -7.189 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 66 0.742 -4.805 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.233 -6.296 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.546 -6.328 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.641 -7.677 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.470 -5.913 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.659 -7.289 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.624 -5.682 -2.784 1.00 0.00 H new ATOM 868 N ALA A 67 2.627 -3.030 -3.719 1.00 0.00 N ATOM 869 CA ALA A 67 3.336 -2.018 -4.437 1.00 0.00 C ATOM 870 C ALA A 67 2.801 -0.641 -4.231 1.00 0.00 C ATOM 871 O ALA A 67 1.711 -0.439 -3.700 1.00 0.00 O ATOM 872 CB ALA A 67 3.290 -2.324 -5.944 1.00 0.00 C ATOM 0 H ALA A 67 1.657 -2.814 -3.487 1.00 0.00 H new ATOM 0 HA ALA A 67 4.354 -2.037 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.831 -1.551 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.753 -3.293 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.253 -2.346 -6.279 1.00 0.00 H new ATOM 878 N VAL A 68 3.577 0.377 -4.643 1.00 0.00 N ATOM 879 CA VAL A 68 3.184 1.743 -4.482 1.00 0.00 C ATOM 880 C VAL A 68 3.580 2.603 -5.633 1.00 0.00 C ATOM 881 O VAL A 68 4.749 2.639 -6.014 1.00 0.00 O ATOM 882 CB VAL A 68 3.662 2.260 -3.159 1.00 0.00 C ATOM 883 CG1 VAL A 68 5.162 2.592 -3.119 1.00 0.00 C ATOM 884 CG2 VAL A 68 2.754 3.448 -2.800 1.00 0.00 C ATOM 0 H VAL A 68 4.485 0.252 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 68 2.095 1.785 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 68 3.581 1.479 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.427 2.960 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.739 1.694 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.385 3.358 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.061 3.863 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.836 4.215 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.720 3.109 -2.735 1.00 0.00 H new ATOM 894 N ASN A 69 2.639 3.305 -6.290 1.00 0.00 N ATOM 895 CA ASN A 69 2.831 3.957 -7.549 1.00 0.00 C ATOM 896 C ASN A 69 3.454 3.136 -8.624 1.00 0.00 C ATOM 897 O ASN A 69 4.168 3.638 -9.491 1.00 0.00 O ATOM 898 CB ASN A 69 3.573 5.298 -7.422 1.00 0.00 C ATOM 899 CG ASN A 69 2.739 6.295 -6.630 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.517 6.181 -6.549 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.401 7.330 -6.049 1.00 0.00 N ATOM 0 H ASN A 69 1.695 3.424 -5.923 1.00 0.00 H new ATOM 0 HA ASN A 69 1.805 4.138 -7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.533 5.144 -6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.785 5.698 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.884 8.039 -5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.415 7.398 -6.133 1.00 0.00 H new ATOM 908 N GLY A 70 3.217 1.812 -8.614 1.00 0.00 N ATOM 909 CA GLY A 70 3.846 0.884 -9.501 1.00 0.00 C ATOM 910 C GLY A 70 5.236 0.513 -9.116 1.00 0.00 C ATOM 911 O GLY A 70 6.021 0.078 -9.958 1.00 0.00 O ATOM 0 H GLY A 70 2.564 1.372 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.241 -0.021 -9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.861 1.311 -10.504 1.00 0.00 H new ATOM 915 N VAL A 71 5.609 0.666 -7.833 1.00 0.00 N ATOM 916 CA VAL A 71 6.868 0.246 -7.301 1.00 0.00 C ATOM 917 C VAL A 71 6.604 -0.885 -6.368 1.00 0.00 C ATOM 918 O VAL A 71 6.197 -0.697 -5.222 1.00 0.00 O ATOM 919 CB VAL A 71 7.650 1.304 -6.581 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.032 0.763 -6.178 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.833 2.502 -7.528 1.00 0.00 C ATOM 0 H VAL A 71 5.006 1.102 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 71 7.490 -0.032 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 71 7.114 1.605 -5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.589 1.541 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.908 -0.098 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.579 0.462 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.400 3.283 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.372 2.182 -8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.856 2.891 -7.815 1.00 0.00 H new ATOM 931 N SER A 72 6.799 -2.126 -6.849 1.00 0.00 N ATOM 932 CA SER A 72 6.683 -3.330 -6.088 1.00 0.00 C ATOM 933 C SER A 72 7.738 -3.449 -5.042 1.00 0.00 C ATOM 934 O SER A 72 8.903 -3.147 -5.296 1.00 0.00 O ATOM 935 CB SER A 72 6.759 -4.585 -6.975 1.00 0.00 C ATOM 936 OG SER A 72 5.762 -4.534 -7.985 1.00 0.00 O ATOM 0 H SER A 72 7.051 -2.297 -7.822 1.00 0.00 H new ATOM 0 HA SER A 72 5.704 -3.268 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.746 -4.657 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.624 -5.479 -6.365 1.00 0.00 H new ATOM 0 HG SER A 72 5.821 -5.337 -8.544 1.00 0.00 H new ATOM 942 N LEU A 73 7.359 -3.895 -3.832 1.00 0.00 N ATOM 943 CA LEU A 73 8.195 -4.010 -2.677 1.00 0.00 C ATOM 944 C LEU A 73 9.127 -5.172 -2.726 1.00 0.00 C ATOM 945 O LEU A 73 9.119 -6.055 -1.870 1.00 0.00 O ATOM 946 CB LEU A 73 7.314 -4.102 -1.420 1.00 0.00 C ATOM 947 CG LEU A 73 6.669 -2.776 -0.988 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.324 -3.033 -0.288 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.547 -1.996 0.006 1.00 0.00 C ATOM 0 H LEU A 73 6.402 -4.196 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 73 8.820 -3.118 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.525 -4.833 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.919 -4.481 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 73 6.540 -2.194 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.882 -2.083 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.650 -3.547 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.486 -3.652 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.048 -1.067 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.709 -2.599 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.507 -1.769 -0.457 1.00 0.00 H new ATOM 961 N GLU A 74 10.024 -5.196 -3.728 1.00 0.00 N ATOM 962 CA GLU A 74 11.022 -6.203 -3.917 1.00 0.00 C ATOM 963 C GLU A 74 12.097 -6.109 -2.888 1.00 0.00 C ATOM 964 O GLU A 74 12.887 -5.168 -2.852 1.00 0.00 O ATOM 965 CB GLU A 74 11.626 -6.129 -5.329 1.00 0.00 C ATOM 966 CG GLU A 74 12.787 -7.094 -5.571 1.00 0.00 C ATOM 967 CD GLU A 74 13.108 -7.245 -7.051 1.00 0.00 C ATOM 968 OE1 GLU A 74 12.244 -7.790 -7.788 1.00 0.00 O ATOM 969 OE2 GLU A 74 14.233 -6.869 -7.475 1.00 0.00 O ATOM 0 H GLU A 74 10.054 -4.472 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 74 10.529 -7.169 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.842 -6.334 -6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.972 -5.111 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.671 -6.736 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.540 -8.070 -5.153 1.00 0.00 H new ATOM 976 N GLY A 75 12.137 -7.100 -1.979 1.00 0.00 N ATOM 977 CA GLY A 75 13.083 -7.187 -0.910 1.00 0.00 C ATOM 978 C GLY A 75 12.999 -6.108 0.113 1.00 0.00 C ATOM 979 O GLY A 75 14.013 -5.742 0.704 1.00 0.00 O ATOM 0 H GLY A 75 11.478 -7.878 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.953 -8.147 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.087 -7.182 -1.335 1.00 0.00 H new ATOM 983 N ALA A 76 11.803 -5.548 0.366 1.00 0.00 N ATOM 984 CA ALA A 76 11.642 -4.470 1.293 1.00 0.00 C ATOM 985 C ALA A 76 11.356 -4.937 2.678 1.00 0.00 C ATOM 986 O ALA A 76 10.646 -5.915 2.906 1.00 0.00 O ATOM 987 CB ALA A 76 10.576 -3.476 0.800 1.00 0.00 C ATOM 0 H ALA A 76 10.935 -5.847 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 76 12.598 -3.949 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.472 -2.666 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.878 -3.067 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.621 -3.990 0.692 1.00 0.00 H new ATOM 993 N THR A 77 11.950 -4.266 3.681 1.00 0.00 N ATOM 994 CA THR A 77 11.885 -4.579 5.075 1.00 0.00 C ATOM 995 C THR A 77 10.851 -3.734 5.738 1.00 0.00 C ATOM 996 O THR A 77 9.965 -3.201 5.073 1.00 0.00 O ATOM 997 CB THR A 77 13.205 -4.326 5.741 1.00 0.00 C ATOM 998 OG1 THR A 77 13.640 -2.982 5.590 1.00 0.00 O ATOM 999 CG2 THR A 77 14.281 -5.190 5.063 1.00 0.00 C ATOM 0 H THR A 77 12.520 -3.440 3.501 1.00 0.00 H new ATOM 0 HA THR A 77 11.629 -5.634 5.170 1.00 0.00 H new ATOM 0 HB THR A 77 13.071 -4.556 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.502 -2.865 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.244 -5.013 5.541 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.016 -6.243 5.160 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.346 -4.928 4.007 1.00 0.00 H new ATOM 1007 N HIS A 78 10.908 -3.510 7.063 1.00 0.00 N ATOM 1008 CA HIS A 78 10.088 -2.518 7.687 1.00 0.00 C ATOM 1009 C HIS A 78 10.580 -1.159 7.327 1.00 0.00 C ATOM 1010 O HIS A 78 9.787 -0.282 6.988 1.00 0.00 O ATOM 1011 CB HIS A 78 10.016 -2.643 9.218 1.00 0.00 C ATOM 1012 CG HIS A 78 9.554 -1.420 9.954 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.050 -1.091 11.189 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.668 -0.442 9.625 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.504 0.040 11.595 1.00 0.00 C ATOM 1016 NE2 HIS A 78 8.664 0.451 10.663 1.00 0.00 N ATOM 0 H HIS A 78 11.522 -4.015 7.702 1.00 0.00 H new ATOM 0 HA HIS A 78 9.077 -2.680 7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.346 -3.467 9.465 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.005 -2.914 9.588 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.735 -1.636 11.713 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.081 -0.381 8.720 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.709 0.543 12.529 1.00 0.00 H new ATOM 1025 N LYS A 79 11.904 -0.934 7.389 1.00 0.00 N ATOM 1026 CA LYS A 79 12.531 0.298 7.021 1.00 0.00 C ATOM 1027 C LYS A 79 12.344 0.599 5.574 1.00 0.00 C ATOM 1028 O LYS A 79 11.810 1.644 5.208 1.00 0.00 O ATOM 1029 CB LYS A 79 14.024 0.242 7.384 1.00 0.00 C ATOM 1030 CG LYS A 79 14.670 1.564 7.807 1.00 0.00 C ATOM 1031 CD LYS A 79 14.539 2.718 6.811 1.00 0.00 C ATOM 1032 CE LYS A 79 15.419 3.935 7.106 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.239 4.424 8.491 1.00 0.00 N ATOM 0 H LYS A 79 12.566 -1.641 7.709 1.00 0.00 H new ATOM 0 HA LYS A 79 12.057 1.107 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.152 -0.476 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.571 -0.146 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.230 1.875 8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.730 1.386 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.781 2.347 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.498 3.040 6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.465 3.674 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.180 4.734 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.787 5.298 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.232 4.617 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.572 3.701 9.160 1.00 0.00 H new ATOM 1047 N GLN A 80 12.697 -0.345 4.683 1.00 0.00 N ATOM 1048 CA GLN A 80 12.617 -0.156 3.268 1.00 0.00 C ATOM 1049 C GLN A 80 11.226 -0.100 2.738 1.00 0.00 C ATOM 1050 O GLN A 80 10.960 0.572 1.742 1.00 0.00 O ATOM 1051 CB GLN A 80 13.480 -1.222 2.574 1.00 0.00 C ATOM 1052 CG GLN A 80 14.470 -0.623 1.572 1.00 0.00 C ATOM 1053 CD GLN A 80 15.635 -1.562 1.289 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.803 -2.601 1.926 1.00 0.00 O ATOM 1055 NE2 GLN A 80 16.505 -1.174 0.319 1.00 0.00 N ATOM 0 H GLN A 80 13.047 -1.264 4.954 1.00 0.00 H new ATOM 0 HA GLN A 80 13.014 0.833 3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.029 -1.786 3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.831 -1.929 2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.951 -0.398 0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.852 0.321 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 80 16.343 -0.308 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 80 17.320 -1.749 0.105 1.00 0.00 H new ATOM 1064 N ALA A 81 10.236 -0.732 3.394 1.00 0.00 N ATOM 1065 CA ALA A 81 8.861 -0.507 3.065 1.00 0.00 C ATOM 1066 C ALA A 81 8.375 0.854 3.427 1.00 0.00 C ATOM 1067 O ALA A 81 7.665 1.474 2.636 1.00 0.00 O ATOM 1068 CB ALA A 81 7.925 -1.513 3.756 1.00 0.00 C ATOM 0 H ALA A 81 10.387 -1.398 4.152 1.00 0.00 H new ATOM 0 HA ALA A 81 8.831 -0.627 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.893 -1.302 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.185 -2.525 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.032 -1.426 4.837 1.00 0.00 H new ATOM 1074 N VAL A 82 8.769 1.406 4.589 1.00 0.00 N ATOM 1075 CA VAL A 82 8.425 2.744 4.958 1.00 0.00 C ATOM 1076 C VAL A 82 8.915 3.703 3.929 1.00 0.00 C ATOM 1077 O VAL A 82 8.113 4.455 3.379 1.00 0.00 O ATOM 1078 CB VAL A 82 8.924 3.147 6.314 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.924 4.665 6.571 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.030 2.469 7.364 1.00 0.00 C ATOM 0 H VAL A 82 9.335 0.916 5.282 1.00 0.00 H new ATOM 0 HA VAL A 82 7.337 2.772 5.012 1.00 0.00 H new ATOM 0 HB VAL A 82 9.966 2.832 6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.300 4.864 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.564 5.158 5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.908 5.049 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.369 2.744 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.999 2.795 7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.087 1.387 7.246 1.00 0.00 H new ATOM 1090 N GLU A 83 10.209 3.655 3.565 1.00 0.00 N ATOM 1091 CA GLU A 83 10.793 4.481 2.553 1.00 0.00 C ATOM 1092 C GLU A 83 10.102 4.432 1.235 1.00 0.00 C ATOM 1093 O GLU A 83 9.876 5.466 0.609 1.00 0.00 O ATOM 1094 CB GLU A 83 12.275 4.143 2.320 1.00 0.00 C ATOM 1095 CG GLU A 83 13.170 4.326 3.547 1.00 0.00 C ATOM 1096 CD GLU A 83 14.634 4.091 3.201 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.963 3.058 2.560 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.478 4.971 3.516 1.00 0.00 O ATOM 0 H GLU A 83 10.877 3.014 3.994 1.00 0.00 H new ATOM 0 HA GLU A 83 10.682 5.489 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.350 3.109 1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.655 4.770 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.045 5.333 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.863 3.633 4.331 1.00 0.00 H new ATOM 1105 N THR A 84 9.684 3.227 0.806 1.00 0.00 N ATOM 1106 CA THR A 84 8.922 2.952 -0.372 1.00 0.00 C ATOM 1107 C THR A 84 7.619 3.672 -0.446 1.00 0.00 C ATOM 1108 O THR A 84 7.303 4.226 -1.497 1.00 0.00 O ATOM 1109 CB THR A 84 8.714 1.480 -0.568 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.983 0.879 -0.778 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.831 1.062 -1.755 1.00 0.00 C ATOM 0 H THR A 84 9.898 2.377 1.328 1.00 0.00 H new ATOM 0 HA THR A 84 9.531 3.341 -1.188 1.00 0.00 H new ATOM 0 HB THR A 84 8.192 1.154 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.420 0.728 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.758 -0.025 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.835 1.489 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.273 1.425 -2.683 1.00 0.00 H new ATOM 1119 N LEU A 85 6.884 3.813 0.671 1.00 0.00 N ATOM 1120 CA LEU A 85 5.609 4.457 0.734 1.00 0.00 C ATOM 1121 C LEU A 85 5.698 5.906 1.066 1.00 0.00 C ATOM 1122 O LEU A 85 4.859 6.706 0.653 1.00 0.00 O ATOM 1123 CB LEU A 85 4.817 3.778 1.865 1.00 0.00 C ATOM 1124 CG LEU A 85 4.506 2.296 1.599 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.446 1.532 2.932 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.186 2.093 0.838 1.00 0.00 C ATOM 0 H LEU A 85 7.195 3.460 1.576 1.00 0.00 H new ATOM 0 HA LEU A 85 5.141 4.370 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.383 3.860 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.881 4.315 2.014 1.00 0.00 H new ATOM 0 HG LEU A 85 5.308 1.910 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.225 0.482 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.406 1.614 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.664 1.958 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.018 1.028 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.363 2.507 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.240 2.600 -0.125 1.00 0.00 H new ATOM 1138 N ARG A 86 6.739 6.324 1.806 1.00 0.00 N ATOM 1139 CA ARG A 86 6.897 7.651 2.316 1.00 0.00 C ATOM 1140 C ARG A 86 7.554 8.606 1.380 1.00 0.00 C ATOM 1141 O ARG A 86 7.041 9.700 1.154 1.00 0.00 O ATOM 1142 CB ARG A 86 7.551 7.572 3.707 1.00 0.00 C ATOM 1143 CG ARG A 86 9.045 7.251 3.769 1.00 0.00 C ATOM 1144 CD ARG A 86 9.861 8.486 4.157 1.00 0.00 C ATOM 1145 NE ARG A 86 11.309 8.137 4.110 1.00 0.00 N ATOM 1146 CZ ARG A 86 12.273 9.046 3.781 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.971 10.339 3.467 1.00 0.00 N ATOM 1148 NH2 ARG A 86 13.581 8.653 3.781 1.00 0.00 N ATOM 0 H ARG A 86 7.509 5.706 2.062 1.00 0.00 H new ATOM 0 HA ARG A 86 5.907 8.094 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.391 8.527 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.020 6.816 4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.219 6.455 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.380 6.880 2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.648 9.309 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.586 8.822 5.157 1.00 0.00 H new ATOM 0 HE ARG A 86 11.591 7.182 4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.000 10.652 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.716 10.993 3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.825 7.693 4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.314 9.319 3.538 1.00 0.00 H new ATOM 1162 N ASN A 87 8.687 8.239 0.756 1.00 0.00 N ATOM 1163 CA ASN A 87 9.504 9.123 -0.016 1.00 0.00 C ATOM 1164 C ASN A 87 9.084 9.106 -1.445 1.00 0.00 C ATOM 1165 O ASN A 87 9.872 9.020 -2.387 1.00 0.00 O ATOM 1166 CB ASN A 87 10.988 8.760 0.163 1.00 0.00 C ATOM 1167 CG ASN A 87 11.893 9.964 -0.054 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.448 11.096 -0.242 1.00 0.00 O ATOM 1169 ND2 ASN A 87 13.230 9.726 0.012 1.00 0.00 N ATOM 0 H ASN A 87 9.049 7.286 0.791 1.00 0.00 H new ATOM 0 HA ASN A 87 9.372 10.144 0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.147 8.362 1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.257 7.971 -0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.891 10.495 -0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.572 8.778 0.169 1.00 0.00 H new ATOM 1176 N THR A 88 7.754 9.150 -1.635 1.00 0.00 N ATOM 1177 CA THR A 88 7.017 9.142 -2.861 1.00 0.00 C ATOM 1178 C THR A 88 6.687 10.540 -3.255 1.00 0.00 C ATOM 1179 O THR A 88 7.390 11.484 -2.896 1.00 0.00 O ATOM 1180 CB THR A 88 5.794 8.296 -2.664 1.00 0.00 C ATOM 1181 OG1 THR A 88 5.002 8.747 -1.576 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.273 6.893 -2.254 1.00 0.00 C ATOM 0 H THR A 88 7.125 9.197 -0.834 1.00 0.00 H new ATOM 0 HA THR A 88 7.603 8.715 -3.675 1.00 0.00 H new ATOM 0 HB THR A 88 5.213 8.327 -3.586 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.994 8.065 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.410 6.244 -2.100 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.903 6.479 -3.041 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.846 6.960 -1.329 1.00 0.00 H new ATOM 1190 N GLY A 89 5.592 10.760 -4.004 1.00 0.00 N ATOM 1191 CA GLY A 89 5.102 12.068 -4.311 1.00 0.00 C ATOM 1192 C GLY A 89 4.008 12.447 -3.373 1.00 0.00 C ATOM 1193 O GLY A 89 4.068 12.194 -2.170 1.00 0.00 O ATOM 0 H GLY A 89 5.032 10.009 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.914 12.792 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.735 12.094 -5.337 1.00 0.00 H new ATOM 1197 N GLN A 90 2.939 13.056 -3.916 1.00 0.00 N ATOM 1198 CA GLN A 90 1.743 13.382 -3.203 1.00 0.00 C ATOM 1199 C GLN A 90 0.766 12.268 -3.357 1.00 0.00 C ATOM 1200 O GLN A 90 0.247 11.748 -2.371 1.00 0.00 O ATOM 1201 CB GLN A 90 1.144 14.702 -3.720 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.199 15.060 -3.083 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.593 16.494 -3.407 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.746 16.883 -4.564 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.775 17.312 -2.336 1.00 0.00 N ATOM 0 H GLN A 90 2.907 13.334 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 90 1.978 13.515 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.852 15.510 -3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.017 14.634 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.969 14.378 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.138 14.931 -2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.639 16.953 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.048 18.285 -2.478 1.00 0.00 H new ATOM 1214 N VAL A 91 0.505 11.843 -4.606 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.345 10.731 -4.897 1.00 0.00 C ATOM 1216 C VAL A 91 0.355 9.454 -4.582 1.00 0.00 C ATOM 1217 O VAL A 91 1.505 9.213 -4.947 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.871 10.685 -6.301 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.599 9.372 -6.634 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.833 11.874 -6.457 1.00 0.00 C ATOM 0 H VAL A 91 0.897 12.286 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.219 10.866 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.032 10.741 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.954 9.404 -7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.912 8.534 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.447 9.246 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.242 11.881 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.646 11.781 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.294 12.804 -6.277 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.377 8.578 -3.871 1.00 0.00 N ATOM 1231 CA VAL A 92 0.017 7.220 -3.663 1.00 0.00 C ATOM 1232 C VAL A 92 -1.091 6.351 -4.151 1.00 0.00 C ATOM 1233 O VAL A 92 -2.178 6.299 -3.578 1.00 0.00 O ATOM 1234 CB VAL A 92 0.384 6.981 -2.227 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.274 5.490 -1.867 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.822 7.481 -2.011 1.00 0.00 C ATOM 0 H VAL A 92 -1.264 8.820 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 92 0.919 6.978 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.306 7.522 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.546 5.347 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.750 5.152 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.948 4.912 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.112 7.318 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.500 6.935 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.875 8.545 -2.240 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.840 5.617 -5.250 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.573 4.456 -5.649 1.00 0.00 C ATOM 1248 C HIS A 93 -1.067 3.303 -4.853 1.00 0.00 C ATOM 1249 O HIS A 93 0.010 2.775 -5.126 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.429 4.110 -7.140 1.00 0.00 C ATOM 1251 CG HIS A 93 -2.102 5.055 -8.089 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.459 6.199 -8.514 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.324 4.955 -8.678 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -2.310 6.795 -9.330 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.456 6.076 -9.473 1.00 0.00 N ATOM 0 H HIS A 93 -0.084 5.847 -5.895 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.628 4.665 -5.474 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.368 4.071 -7.385 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.831 3.110 -7.304 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.044 4.161 -8.550 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.119 7.737 -9.823 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.258 6.318 -10.055 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.829 2.872 -3.832 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.574 1.743 -2.992 1.00 0.00 C ATOM 1265 C LEU A 94 -2.072 0.522 -3.686 1.00 0.00 C ATOM 1266 O LEU A 94 -3.273 0.287 -3.809 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.330 1.860 -1.658 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.679 2.635 -0.500 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.241 2.126 0.839 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.155 2.441 -0.434 1.00 0.00 C ATOM 0 H LEU A 94 -2.691 3.352 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.503 1.694 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.294 2.325 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.533 0.849 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.901 3.688 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.780 2.675 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.320 2.278 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.022 1.064 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.249 3.012 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.072 1.384 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.297 2.790 -1.363 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.139 -0.324 -4.159 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.460 -1.629 -4.648 1.00 0.00 C ATOM 1284 C LEU A 95 -1.576 -2.600 -3.523 1.00 0.00 C ATOM 1285 O LEU A 95 -0.579 -3.036 -2.949 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.384 -2.094 -5.644 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.935 -2.560 -7.003 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.203 -3.241 -7.782 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.155 -3.489 -6.887 1.00 0.00 C ATOM 0 H LEU A 95 -0.145 -0.098 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.422 -1.582 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.317 -1.276 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.181 -2.911 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.295 -1.681 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.169 -3.578 -8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.016 -2.531 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.570 -4.097 -7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.489 -3.777 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.881 -4.381 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.961 -2.968 -6.371 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.830 -2.923 -3.161 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.231 -3.780 -2.088 1.00 0.00 C ATOM 1303 C LEU A 96 -3.794 -5.050 -2.626 1.00 0.00 C ATOM 1304 O LEU A 96 -4.406 -5.073 -3.692 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.315 -3.083 -1.249 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.775 -2.118 -0.181 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.764 -0.977 0.113 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.470 -2.925 1.094 1.00 0.00 C ATOM 0 H LEU A 96 -3.634 -2.550 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.358 -3.997 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.975 -2.531 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.922 -3.844 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.864 -1.649 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.344 -0.318 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.946 -0.409 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.704 -1.394 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.085 -2.257 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.383 -3.402 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.725 -3.689 0.872 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.609 -6.163 -1.893 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.234 -7.431 -2.111 1.00 0.00 C ATOM 1322 C GLU A 97 -4.818 -7.843 -0.804 1.00 0.00 C ATOM 1323 O GLU A 97 -4.330 -7.463 0.259 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.190 -8.461 -2.574 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.579 -9.941 -2.537 1.00 0.00 C ATOM 1326 CD GLU A 97 -4.744 -10.286 -3.453 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -4.521 -10.389 -4.689 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -5.870 -10.512 -2.935 1.00 0.00 O ATOM 0 H GLU A 97 -2.978 -6.176 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.001 -7.368 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.908 -8.215 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.299 -8.334 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.715 -10.543 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.838 -10.215 -1.514 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.896 -8.647 -0.814 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.667 -8.981 0.343 1.00 0.00 C ATOM 1337 C LYS A 98 -6.015 -9.939 1.280 1.00 0.00 C ATOM 1338 O LYS A 98 -5.379 -10.918 0.893 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.018 -9.572 -0.097 1.00 0.00 C ATOM 1340 CG LYS A 98 -8.902 -8.591 -0.867 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.558 -7.549 0.039 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.473 -6.557 -0.682 1.00 0.00 C ATOM 1343 NZ LYS A 98 -11.493 -7.275 -1.479 1.00 0.00 N ATOM 0 H LYS A 98 -6.246 -9.084 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.783 -8.047 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.835 -10.447 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.557 -9.916 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.302 -8.083 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.677 -9.145 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.137 -8.066 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.776 -6.992 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.962 -5.909 0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.881 -5.914 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.213 -6.601 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.039 -7.725 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.944 -8.004 -0.890 1.00 0.00 H new ATOM 1434 N LEU B 206 9.017 -1.742 14.606 1.00 0.00 N ATOM 1435 CA LEU B 206 7.977 -2.065 13.679 1.00 0.00 C ATOM 1436 C LEU B 206 7.071 -0.891 13.525 1.00 0.00 C ATOM 1437 O LEU B 206 7.450 0.234 13.849 1.00 0.00 O ATOM 1438 CB LEU B 206 7.228 -3.315 14.168 1.00 0.00 C ATOM 1439 CG LEU B 206 6.450 -4.141 13.130 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.351 -4.589 11.967 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.918 -5.380 13.872 1.00 0.00 C ATOM 0 HA LEU B 206 8.395 -2.292 12.698 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.954 -3.975 14.644 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.526 -3.003 14.941 1.00 0.00 H new ATOM 0 HG LEU B 206 5.649 -3.540 12.700 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.764 -5.170 11.255 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.763 -3.712 11.468 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.165 -5.203 12.353 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.355 -6.005 13.179 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.755 -5.949 14.276 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.267 -5.064 14.687 1.00 0.00 H new ATOM 1453 N VAL B 207 5.855 -1.117 12.997 1.00 0.00 N ATOM 1454 CA VAL B 207 4.684 -0.296 12.986 1.00 0.00 C ATOM 1455 C VAL B 207 4.861 1.183 12.954 1.00 0.00 C ATOM 1456 O VAL B 207 4.919 1.889 13.960 1.00 0.00 O ATOM 1457 CB VAL B 207 3.598 -0.758 13.913 1.00 0.00 C ATOM 1458 CG1 VAL B 207 2.964 -2.028 13.321 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.109 -1.008 15.342 1.00 0.00 C ATOM 0 H VAL B 207 5.674 -1.997 12.513 1.00 0.00 H new ATOM 0 HA VAL B 207 4.325 -0.482 11.974 1.00 0.00 H new ATOM 0 HB VAL B 207 2.851 0.031 13.998 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.171 -2.380 13.981 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.546 -1.803 12.340 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.725 -2.802 13.222 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.283 -1.340 15.971 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.882 -1.776 15.323 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.524 -0.085 15.747 1.00 0.00 H new ATOM 1469 N THR B 208 4.921 1.703 11.715 1.00 0.00 N ATOM 1470 CA THR B 208 5.139 3.088 11.428 1.00 0.00 C ATOM 1471 C THR B 208 3.906 3.471 10.686 1.00 0.00 C ATOM 1472 O THR B 208 3.613 2.827 9.679 1.00 0.00 O ATOM 1473 CB THR B 208 6.291 3.344 10.502 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.519 2.913 11.070 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.465 4.834 10.161 1.00 0.00 C ATOM 0 H THR B 208 4.813 1.133 10.876 1.00 0.00 H new ATOM 0 HA THR B 208 5.353 3.631 12.349 1.00 0.00 H new ATOM 0 HB THR B 208 6.053 2.783 9.599 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.833 2.112 10.601 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.314 4.957 9.488 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.561 5.204 9.677 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.643 5.398 11.076 1.00 0.00 H new ATOM 1483 N SER B 209 3.184 4.501 11.163 1.00 0.00 N ATOM 1484 CA SER B 209 2.181 5.200 10.421 1.00 0.00 C ATOM 1485 C SER B 209 2.845 5.956 9.321 1.00 0.00 C ATOM 1486 O SER B 209 3.629 6.879 9.535 1.00 0.00 O ATOM 1487 CB SER B 209 1.324 6.159 11.264 1.00 0.00 C ATOM 1488 OG SER B 209 0.403 6.900 10.477 1.00 0.00 O ATOM 0 H SER B 209 3.305 4.863 12.109 1.00 0.00 H new ATOM 0 HA SER B 209 1.491 4.449 10.036 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.778 5.588 12.015 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.976 6.849 11.800 1.00 0.00 H new ATOM 0 HG SER B 209 -0.119 7.493 11.056 1.00 0.00 H new ATOM 1494 N VAL B 210 2.575 5.523 8.077 1.00 0.00 N ATOM 1495 CA VAL B 210 3.274 5.909 6.891 1.00 0.00 C ATOM 1496 C VAL B 210 2.163 5.988 5.855 1.00 0.00 C ATOM 1497 O VAL B 210 1.034 5.484 6.097 1.00 0.00 O ATOM 1498 CB VAL B 210 4.368 4.945 6.537 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.823 3.557 6.162 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.233 5.530 5.407 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.392 6.681 4.827 1.00 0.00 O ATOM 0 H VAL B 210 1.821 4.862 7.888 1.00 0.00 H new ATOM 0 HA VAL B 210 3.811 6.852 6.987 1.00 0.00 H new ATOM 0 HB VAL B 210 4.989 4.802 7.421 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.653 2.895 5.914 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.269 3.144 7.005 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.161 3.647 5.301 1.00 0.00 H new ATOM 0 HG21 VAL B 210 6.026 4.826 5.154 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.612 5.709 4.529 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.675 6.471 5.736 1.00 0.00 H new