USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 616 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 72 THR OG1 : rot 144:sc= 0.3 USER MOD Set 1.2: A 73 GLN :FLIP amide:sc= 0.195 F(o=-2.1!,f=0.74) USER MOD Set 1.3: A 74 ASN :FLIP amide:sc= 0.247 F(o=-1.3,f=0.74) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= 0.598 (180deg=-0.767!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -166:sc= -0.0867 (180deg=-0.419) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 1.21 K(o=1.2,f=-0.083) USER MOD Single : A 55 GLN : amide:sc= 1.05 K(o=1,f=-0.023) USER MOD Single : A 57 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.31) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -86:sc= 1.21 USER MOD Single : A 78 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 82 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 83 THR OG1 : rot -122:sc= -1.63! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.654 K(o=0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 8.317 -10.858 -1.417 1.00 0.00 N ATOM 45 CA GLU A 4 7.411 -11.410 -2.399 1.00 0.00 C ATOM 46 C GLU A 4 6.386 -10.365 -2.752 1.00 0.00 C ATOM 47 O GLU A 4 5.560 -10.034 -1.926 1.00 0.00 O ATOM 48 CB GLU A 4 6.707 -12.629 -1.817 1.00 0.00 C ATOM 49 CG GLU A 4 5.783 -13.360 -2.772 1.00 0.00 C ATOM 50 CD GLU A 4 4.990 -14.431 -2.074 1.00 0.00 C ATOM 51 OE1 GLU A 4 5.512 -15.543 -1.856 1.00 0.00 O ATOM 52 OE2 GLU A 4 3.820 -14.181 -1.723 1.00 0.00 O ATOM 0 HA GLU A 4 7.966 -11.707 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.463 -13.329 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.129 -12.314 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.101 -12.647 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.370 -13.807 -3.574 1.00 0.00 H new ATOM 59 N LEU A 5 6.471 -9.819 -3.944 1.00 0.00 N ATOM 60 CA LEU A 5 5.521 -8.823 -4.391 1.00 0.00 C ATOM 61 C LEU A 5 4.335 -9.518 -5.039 1.00 0.00 C ATOM 62 O LEU A 5 4.518 -10.346 -5.956 1.00 0.00 O ATOM 63 CB LEU A 5 6.157 -7.836 -5.388 1.00 0.00 C ATOM 64 CG LEU A 5 7.404 -7.048 -4.926 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.218 -6.468 -3.559 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.681 -7.862 -4.998 1.00 0.00 C ATOM 0 H LEU A 5 7.193 -10.049 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 5 5.193 -8.250 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.426 -8.393 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.393 -7.114 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 5 7.515 -6.226 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.116 -5.922 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.366 -5.788 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.036 -7.271 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.520 -7.253 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.589 -8.740 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.853 -8.179 -6.027 1.00 0.00 H new ATOM 78 N PHE A 6 3.152 -9.200 -4.587 1.00 0.00 N ATOM 79 CA PHE A 6 1.951 -9.837 -5.058 1.00 0.00 C ATOM 80 C PHE A 6 0.794 -8.848 -5.258 1.00 0.00 C ATOM 81 O PHE A 6 0.644 -7.891 -4.512 1.00 0.00 O ATOM 82 CB PHE A 6 1.532 -10.982 -4.118 1.00 0.00 C ATOM 83 CG PHE A 6 1.502 -10.645 -2.659 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.410 -10.009 -2.110 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.561 -10.967 -1.842 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.375 -9.693 -0.768 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.540 -10.658 -0.503 1.00 0.00 C ATOM 88 CZ PHE A 6 1.444 -10.019 0.039 1.00 0.00 C ATOM 0 H PHE A 6 2.993 -8.486 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 6 2.183 -10.254 -6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.541 -11.326 -4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 6 2.216 -11.818 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.430 -9.754 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.421 -11.470 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.486 -9.192 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.381 -10.915 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.424 -9.775 1.091 1.00 0.00 H new ATOM 98 N PRO A 7 -0.006 -9.056 -6.293 1.00 0.00 N ATOM 99 CA PRO A 7 -1.172 -8.232 -6.569 1.00 0.00 C ATOM 100 C PRO A 7 -2.383 -8.585 -5.703 1.00 0.00 C ATOM 101 O PRO A 7 -2.820 -9.754 -5.625 1.00 0.00 O ATOM 102 CB PRO A 7 -1.487 -8.538 -8.014 1.00 0.00 C ATOM 103 CG PRO A 7 -0.974 -9.927 -8.230 1.00 0.00 C ATOM 104 CD PRO A 7 0.191 -10.096 -7.310 1.00 0.00 C ATOM 0 HA PRO A 7 -0.964 -7.183 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.558 -8.477 -8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.002 -7.828 -8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.748 -10.664 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.673 -10.073 -9.268 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.207 -11.091 -6.865 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.137 -9.966 -7.836 1.00 0.00 H new ATOM 112 N VAL A 8 -2.896 -7.597 -5.047 1.00 0.00 N ATOM 113 CA VAL A 8 -4.090 -7.715 -4.271 1.00 0.00 C ATOM 114 C VAL A 8 -5.114 -6.779 -4.849 1.00 0.00 C ATOM 115 O VAL A 8 -4.981 -5.570 -4.708 1.00 0.00 O ATOM 116 CB VAL A 8 -3.876 -7.302 -2.785 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.129 -7.507 -1.943 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.698 -8.006 -2.181 1.00 0.00 C ATOM 0 H VAL A 8 -2.488 -6.662 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.404 -8.759 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.662 -6.233 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.930 -7.205 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.942 -6.904 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.413 -8.559 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.580 -7.693 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.859 -9.083 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.797 -7.754 -2.741 1.00 0.00 H new ATOM 128 N GLU A 9 -6.076 -7.299 -5.541 1.00 0.00 N ATOM 129 CA GLU A 9 -7.142 -6.469 -5.996 1.00 0.00 C ATOM 130 C GLU A 9 -8.183 -6.460 -4.903 1.00 0.00 C ATOM 131 O GLU A 9 -8.907 -7.440 -4.716 1.00 0.00 O ATOM 132 CB GLU A 9 -7.733 -6.948 -7.321 1.00 0.00 C ATOM 133 CG GLU A 9 -8.845 -6.045 -7.837 1.00 0.00 C ATOM 134 CD GLU A 9 -9.403 -6.499 -9.149 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.192 -7.448 -9.168 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.074 -5.893 -10.189 1.00 0.00 O ATOM 0 H GLU A 9 -6.145 -8.283 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.771 -5.464 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.941 -7.002 -8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.122 -7.958 -7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.647 -6.008 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.462 -5.030 -7.943 1.00 0.00 H new ATOM 143 N LEU A 10 -8.218 -5.398 -4.155 1.00 0.00 N ATOM 144 CA LEU A 10 -9.099 -5.306 -3.042 1.00 0.00 C ATOM 145 C LEU A 10 -10.368 -4.692 -3.554 1.00 0.00 C ATOM 146 O LEU A 10 -10.334 -3.975 -4.556 1.00 0.00 O ATOM 147 CB LEU A 10 -8.477 -4.390 -1.993 1.00 0.00 C ATOM 148 CG LEU A 10 -9.040 -4.455 -0.576 1.00 0.00 C ATOM 149 CD1 LEU A 10 -8.683 -5.767 0.086 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.561 -3.284 0.251 1.00 0.00 C ATOM 0 H LEU A 10 -7.635 -4.574 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.286 -6.281 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.411 -4.613 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.571 -3.363 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.126 -4.396 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.095 -5.790 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.097 -6.592 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.599 -5.867 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.977 -3.354 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.473 -3.299 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.888 -2.353 -0.213 1.00 0.00 H new ATOM 162 N GLU A 11 -11.461 -4.972 -2.931 1.00 0.00 N ATOM 163 CA GLU A 11 -12.689 -4.374 -3.325 1.00 0.00 C ATOM 164 C GLU A 11 -13.305 -3.705 -2.131 1.00 0.00 C ATOM 165 O GLU A 11 -14.164 -4.261 -1.438 1.00 0.00 O ATOM 166 CB GLU A 11 -13.640 -5.364 -3.995 1.00 0.00 C ATOM 167 CG GLU A 11 -14.850 -4.699 -4.633 1.00 0.00 C ATOM 168 CD GLU A 11 -15.667 -5.660 -5.435 1.00 0.00 C ATOM 169 OE1 GLU A 11 -15.147 -6.209 -6.432 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.854 -5.877 -5.113 1.00 0.00 O ATOM 0 H GLU A 11 -11.529 -5.615 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.485 -3.624 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.096 -5.920 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.980 -6.088 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.472 -4.258 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.517 -3.884 -5.275 1.00 0.00 H new ATOM 177 N LYS A 12 -12.767 -2.553 -1.844 1.00 0.00 N ATOM 178 CA LYS A 12 -13.154 -1.731 -0.776 1.00 0.00 C ATOM 179 C LYS A 12 -14.558 -1.111 -0.967 1.00 0.00 C ATOM 180 O LYS A 12 -15.313 -1.479 -1.871 1.00 0.00 O ATOM 181 CB LYS A 12 -12.067 -0.673 -0.559 1.00 0.00 C ATOM 182 CG LYS A 12 -11.409 -0.784 0.799 1.00 0.00 C ATOM 183 CD LYS A 12 -12.439 -0.425 1.850 1.00 0.00 C ATOM 184 CE LYS A 12 -11.977 -0.313 3.262 1.00 0.00 C ATOM 185 NZ LYS A 12 -13.039 0.391 4.012 1.00 0.00 N ATOM 0 H LYS A 12 -12.004 -2.157 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.248 -2.341 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.308 -0.773 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.505 0.319 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.037 -1.796 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.551 -0.115 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.889 0.527 1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.230 -1.174 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.795 -1.300 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.037 0.236 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.015 0.094 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.884 1.418 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.966 0.157 3.603 1.00 0.00 H new ATOM 199 N ASP A 13 -14.872 -0.181 -0.108 1.00 0.00 N ATOM 200 CA ASP A 13 -16.164 0.449 -0.020 1.00 0.00 C ATOM 201 C ASP A 13 -16.150 1.696 -0.895 1.00 0.00 C ATOM 202 O ASP A 13 -15.103 2.060 -1.428 1.00 0.00 O ATOM 203 CB ASP A 13 -16.450 0.830 1.459 1.00 0.00 C ATOM 204 CG ASP A 13 -16.369 -0.355 2.439 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.261 -0.628 2.995 1.00 0.00 O ATOM 206 OD2 ASP A 13 -17.397 -1.021 2.691 1.00 0.00 O ATOM 0 H ASP A 13 -14.208 0.175 0.580 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.946 -0.229 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.738 1.595 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.443 1.274 1.523 1.00 0.00 H new ATOM 211 N GLU A 14 -17.288 2.376 -1.001 1.00 0.00 N ATOM 212 CA GLU A 14 -17.430 3.561 -1.883 1.00 0.00 C ATOM 213 C GLU A 14 -16.516 4.730 -1.451 1.00 0.00 C ATOM 214 O GLU A 14 -16.197 5.623 -2.249 1.00 0.00 O ATOM 215 CB GLU A 14 -18.887 4.027 -1.899 1.00 0.00 C ATOM 216 CG GLU A 14 -19.383 4.466 -0.538 1.00 0.00 C ATOM 217 CD GLU A 14 -20.808 4.909 -0.543 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.072 6.088 -0.838 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.688 4.098 -0.215 1.00 0.00 O ATOM 0 H GLU A 14 -18.137 2.136 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.123 3.257 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.990 4.854 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.518 3.217 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.269 3.642 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.757 5.282 -0.177 1.00 0.00 H new ATOM 226 N ASP A 15 -16.126 4.717 -0.191 1.00 0.00 N ATOM 227 CA ASP A 15 -15.259 5.744 0.398 1.00 0.00 C ATOM 228 C ASP A 15 -13.853 5.596 -0.121 1.00 0.00 C ATOM 229 O ASP A 15 -13.135 6.575 -0.329 1.00 0.00 O ATOM 230 CB ASP A 15 -15.238 5.566 1.915 1.00 0.00 C ATOM 231 CG ASP A 15 -14.375 6.579 2.652 1.00 0.00 C ATOM 232 OD1 ASP A 15 -14.884 7.669 2.983 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.206 6.284 2.960 1.00 0.00 O ATOM 0 H ASP A 15 -16.400 3.988 0.468 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.643 6.729 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.259 5.634 2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.879 4.563 2.147 1.00 0.00 H new ATOM 238 N GLY A 16 -13.496 4.384 -0.377 1.00 0.00 N ATOM 239 CA GLY A 16 -12.167 4.062 -0.735 1.00 0.00 C ATOM 240 C GLY A 16 -11.558 3.334 0.413 1.00 0.00 C ATOM 241 O GLY A 16 -12.243 2.531 1.063 1.00 0.00 O ATOM 0 H GLY A 16 -14.128 3.585 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.151 3.444 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.601 4.966 -0.960 1.00 0.00 H new ATOM 245 N LEU A 17 -10.324 3.601 0.718 1.00 0.00 N ATOM 246 CA LEU A 17 -9.706 2.926 1.834 1.00 0.00 C ATOM 247 C LEU A 17 -9.906 3.737 3.070 1.00 0.00 C ATOM 248 O LEU A 17 -10.535 3.289 4.037 1.00 0.00 O ATOM 249 CB LEU A 17 -8.211 2.770 1.649 1.00 0.00 C ATOM 250 CG LEU A 17 -7.736 2.355 0.304 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.247 2.188 0.330 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.435 1.108 -0.195 1.00 0.00 C ATOM 0 H LEU A 17 -9.729 4.267 0.225 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.167 1.941 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.738 3.721 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.855 2.039 2.374 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.990 3.141 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.898 1.883 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.780 3.134 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.979 1.425 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.052 0.846 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.249 0.286 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.507 1.293 -0.259 1.00 0.00 H new ATOM 264 N GLY A 18 -9.375 4.942 3.026 1.00 0.00 N ATOM 265 CA GLY A 18 -9.364 5.793 4.168 1.00 0.00 C ATOM 266 C GLY A 18 -8.368 5.289 5.171 1.00 0.00 C ATOM 267 O GLY A 18 -8.594 5.356 6.373 1.00 0.00 O ATOM 0 H GLY A 18 -8.944 5.345 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.111 6.811 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.357 5.829 4.615 1.00 0.00 H new ATOM 271 N ILE A 19 -7.278 4.717 4.678 1.00 0.00 N ATOM 272 CA ILE A 19 -6.252 4.203 5.568 1.00 0.00 C ATOM 273 C ILE A 19 -5.129 5.218 5.752 1.00 0.00 C ATOM 274 O ILE A 19 -5.135 6.296 5.145 1.00 0.00 O ATOM 275 CB ILE A 19 -5.666 2.847 5.086 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.855 3.010 3.794 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.792 1.847 4.887 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.161 1.738 3.333 1.00 0.00 C ATOM 0 H ILE A 19 -7.085 4.599 3.683 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.739 4.027 6.527 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.985 2.477 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.519 3.357 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.105 3.787 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.379 0.897 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.318 1.699 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.488 2.227 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.610 1.937 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.470 1.400 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.906 0.964 3.149 1.00 0.00 H new ATOM 290 N SER A 20 -4.183 4.858 6.574 1.00 0.00 N ATOM 291 CA SER A 20 -3.060 5.685 6.891 1.00 0.00 C ATOM 292 C SER A 20 -1.786 4.962 6.501 1.00 0.00 C ATOM 293 O SER A 20 -1.734 3.731 6.524 1.00 0.00 O ATOM 294 CB SER A 20 -3.080 5.977 8.385 1.00 0.00 C ATOM 295 OG SER A 20 -4.314 6.566 8.761 1.00 0.00 O ATOM 0 H SER A 20 -4.175 3.957 7.053 1.00 0.00 H new ATOM 0 HA SER A 20 -3.106 6.626 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.926 5.054 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.258 6.646 8.642 1.00 0.00 H new ATOM 0 HG SER A 20 -4.311 6.746 9.724 1.00 0.00 H new ATOM 301 N ILE A 21 -0.786 5.708 6.152 1.00 0.00 N ATOM 302 CA ILE A 21 0.486 5.183 5.735 1.00 0.00 C ATOM 303 C ILE A 21 1.560 5.809 6.586 1.00 0.00 C ATOM 304 O ILE A 21 1.308 6.820 7.252 1.00 0.00 O ATOM 305 CB ILE A 21 0.743 5.484 4.224 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.664 6.995 3.910 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.217 4.699 3.337 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.941 7.771 4.147 1.00 0.00 C ATOM 0 H ILE A 21 -0.828 6.727 6.147 1.00 0.00 H new ATOM 0 HA ILE A 21 0.494 4.100 5.860 1.00 0.00 H new ATOM 0 HB ILE A 21 1.760 5.159 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.371 7.118 2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.127 7.435 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.015 4.928 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.080 3.631 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.243 4.976 3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.781 8.820 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.228 7.687 5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.735 7.366 3.520 1.00 0.00 H new ATOM 320 N ILE A 22 2.711 5.234 6.602 1.00 0.00 N ATOM 321 CA ILE A 22 3.789 5.818 7.323 1.00 0.00 C ATOM 322 C ILE A 22 5.064 5.766 6.497 1.00 0.00 C ATOM 323 O ILE A 22 5.438 4.709 5.968 1.00 0.00 O ATOM 324 CB ILE A 22 3.964 5.189 8.740 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.054 5.911 9.539 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.228 3.690 8.668 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.183 5.437 10.969 1.00 0.00 C ATOM 0 H ILE A 22 2.931 4.360 6.125 1.00 0.00 H new ATOM 0 HA ILE A 22 3.550 6.867 7.499 1.00 0.00 H new ATOM 0 HB ILE A 22 3.021 5.323 9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.010 5.775 9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.842 6.980 9.539 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.344 3.292 9.676 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.390 3.196 8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.140 3.508 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.975 5.996 11.468 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.240 5.598 11.492 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.427 4.375 10.980 1.00 0.00 H new ATOM 339 N GLY A 23 5.684 6.909 6.328 1.00 0.00 N ATOM 340 CA GLY A 23 6.890 6.980 5.553 1.00 0.00 C ATOM 341 C GLY A 23 8.096 6.660 6.378 1.00 0.00 C ATOM 342 O GLY A 23 8.513 7.459 7.216 1.00 0.00 O ATOM 0 H GLY A 23 5.371 7.798 6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.826 6.285 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.993 7.979 5.130 1.00 0.00 H new ATOM 346 N MET A 24 8.627 5.483 6.184 1.00 0.00 N ATOM 347 CA MET A 24 9.803 5.045 6.904 1.00 0.00 C ATOM 348 C MET A 24 10.880 4.725 5.919 1.00 0.00 C ATOM 349 O MET A 24 10.965 3.606 5.436 1.00 0.00 O ATOM 350 CB MET A 24 9.521 3.817 7.792 1.00 0.00 C ATOM 351 CG MET A 24 8.455 4.019 8.859 1.00 0.00 C ATOM 352 SD MET A 24 8.855 5.343 10.049 1.00 0.00 S ATOM 353 CE MET A 24 10.434 4.776 10.699 1.00 0.00 C ATOM 0 H MET A 24 8.260 4.797 5.524 1.00 0.00 H new ATOM 0 HA MET A 24 10.116 5.852 7.566 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.219 2.988 7.152 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.449 3.521 8.280 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.507 4.252 8.374 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.314 3.084 9.402 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.680 5.338 11.600 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.368 3.715 10.940 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.212 4.931 9.951 1.00 0.00 H new ATOM 363 N GLY A 25 11.658 5.729 5.584 1.00 0.00 N ATOM 364 CA GLY A 25 12.713 5.591 4.605 1.00 0.00 C ATOM 365 C GLY A 25 13.687 4.495 4.956 1.00 0.00 C ATOM 366 O GLY A 25 14.415 4.582 5.953 1.00 0.00 O ATOM 0 H GLY A 25 11.578 6.665 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.274 5.383 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.250 6.536 4.519 1.00 0.00 H new ATOM 488 N LEU A 35 10.610 1.643 -1.492 1.00 0.00 N ATOM 489 CA LEU A 35 9.873 2.532 -0.632 1.00 0.00 C ATOM 490 C LEU A 35 9.908 2.051 0.816 1.00 0.00 C ATOM 491 O LEU A 35 10.162 0.870 1.099 1.00 0.00 O ATOM 492 CB LEU A 35 8.410 2.561 -1.030 1.00 0.00 C ATOM 493 CG LEU A 35 7.658 1.245 -0.792 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.248 1.536 -0.452 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.719 0.318 -1.999 1.00 0.00 C ATOM 0 HA LEU A 35 10.335 3.514 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.911 3.355 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.339 2.819 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 35 8.146 0.731 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.714 0.601 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.210 2.144 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.780 2.078 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.172 -0.600 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.270 0.812 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.759 0.077 -2.221 1.00 0.00 H new ATOM 507 N GLY A 36 9.621 2.944 1.699 1.00 0.00 N ATOM 508 CA GLY A 36 9.493 2.602 3.068 1.00 0.00 C ATOM 509 C GLY A 36 8.127 2.979 3.565 1.00 0.00 C ATOM 510 O GLY A 36 7.932 3.247 4.738 1.00 0.00 O ATOM 0 H GLY A 36 9.469 3.931 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.655 1.532 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.256 3.115 3.653 1.00 0.00 H new ATOM 514 N ILE A 37 7.174 3.014 2.664 1.00 0.00 N ATOM 515 CA ILE A 37 5.827 3.389 3.018 1.00 0.00 C ATOM 516 C ILE A 37 5.073 2.185 3.524 1.00 0.00 C ATOM 517 O ILE A 37 4.637 1.325 2.753 1.00 0.00 O ATOM 518 CB ILE A 37 5.046 4.024 1.846 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.836 5.198 1.229 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.673 4.493 2.343 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.915 6.433 2.081 1.00 0.00 C ATOM 0 H ILE A 37 7.308 2.787 1.679 1.00 0.00 H new ATOM 0 HA ILE A 37 5.911 4.145 3.799 1.00 0.00 H new ATOM 0 HB ILE A 37 4.907 3.276 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.849 4.859 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.378 5.462 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.121 4.941 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.116 3.640 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.805 5.231 3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.490 7.199 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.909 6.805 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.403 6.193 3.025 1.00 0.00 H new ATOM 533 N PHE A 38 4.949 2.116 4.793 1.00 0.00 N ATOM 534 CA PHE A 38 4.247 1.043 5.424 1.00 0.00 C ATOM 535 C PHE A 38 2.836 1.458 5.678 1.00 0.00 C ATOM 536 O PHE A 38 2.520 2.658 5.633 1.00 0.00 O ATOM 537 CB PHE A 38 4.918 0.651 6.736 1.00 0.00 C ATOM 538 CG PHE A 38 6.247 -0.024 6.578 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.308 -1.393 6.411 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.434 0.697 6.614 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.514 -2.034 6.288 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.642 0.060 6.484 1.00 0.00 C ATOM 543 CZ PHE A 38 8.683 -1.307 6.324 1.00 0.00 C ATOM 0 H PHE A 38 5.332 2.805 5.440 1.00 0.00 H new ATOM 0 HA PHE A 38 4.263 0.177 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.050 1.546 7.344 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.251 -0.013 7.286 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.394 -1.967 6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.405 1.769 6.746 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.547 -3.106 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.559 0.630 6.507 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.634 -1.810 6.227 1.00 0.00 H new ATOM 553 N VAL A 39 1.980 0.507 5.905 1.00 0.00 N ATOM 554 CA VAL A 39 0.636 0.821 6.257 1.00 0.00 C ATOM 555 C VAL A 39 0.643 1.225 7.715 1.00 0.00 C ATOM 556 O VAL A 39 1.118 0.489 8.572 1.00 0.00 O ATOM 557 CB VAL A 39 -0.335 -0.367 6.042 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.760 0.055 6.347 1.00 0.00 C ATOM 559 CG2 VAL A 39 -0.237 -0.897 4.625 1.00 0.00 C ATOM 0 H VAL A 39 2.192 -0.489 5.852 1.00 0.00 H new ATOM 0 HA VAL A 39 0.278 1.624 5.613 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.050 -1.166 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.431 -0.790 6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.828 0.386 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.047 0.873 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.928 -1.730 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.493 -0.105 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.781 -1.238 4.434 1.00 0.00 H new ATOM 569 N LYS A 40 0.174 2.397 7.985 1.00 0.00 N ATOM 570 CA LYS A 40 0.181 2.895 9.320 1.00 0.00 C ATOM 571 C LYS A 40 -1.041 2.428 10.063 1.00 0.00 C ATOM 572 O LYS A 40 -0.956 1.927 11.181 1.00 0.00 O ATOM 573 CB LYS A 40 0.270 4.413 9.338 1.00 0.00 C ATOM 574 CG LYS A 40 0.159 4.981 10.714 1.00 0.00 C ATOM 575 CD LYS A 40 0.370 6.464 10.778 1.00 0.00 C ATOM 576 CE LYS A 40 0.234 6.888 12.211 1.00 0.00 C ATOM 577 NZ LYS A 40 0.373 8.342 12.402 1.00 0.00 N ATOM 0 H LYS A 40 -0.222 3.033 7.293 1.00 0.00 H new ATOM 0 HA LYS A 40 1.065 2.501 9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.218 4.722 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.522 4.827 8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.827 4.747 11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.889 4.492 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.356 6.726 10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.361 6.981 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.739 6.570 12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.989 6.376 12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.269 8.571 13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.311 8.647 12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.363 8.836 11.858 1.00 0.00 H new ATOM 591 N THR A 41 -2.174 2.608 9.464 1.00 0.00 N ATOM 592 CA THR A 41 -3.396 2.214 10.074 1.00 0.00 C ATOM 593 C THR A 41 -4.357 1.871 8.963 1.00 0.00 C ATOM 594 O THR A 41 -4.208 2.370 7.839 1.00 0.00 O ATOM 595 CB THR A 41 -4.037 3.361 10.850 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.028 4.243 11.385 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.849 2.824 12.010 1.00 0.00 C ATOM 0 H THR A 41 -2.275 3.031 8.541 1.00 0.00 H new ATOM 0 HA THR A 41 -3.192 1.386 10.753 1.00 0.00 H new ATOM 0 HB THR A 41 -4.679 3.906 10.158 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.459 4.972 11.878 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.300 3.654 12.554 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.634 2.169 11.632 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.199 2.262 12.680 1.00 0.00 H new ATOM 605 N VAL A 42 -5.318 1.077 9.254 1.00 0.00 N ATOM 606 CA VAL A 42 -6.338 0.737 8.315 1.00 0.00 C ATOM 607 C VAL A 42 -7.664 1.049 8.976 1.00 0.00 C ATOM 608 O VAL A 42 -7.777 0.951 10.203 1.00 0.00 O ATOM 609 CB VAL A 42 -6.299 -0.784 7.909 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.399 -1.112 6.914 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.962 -1.163 7.312 1.00 0.00 C ATOM 0 H VAL A 42 -5.427 0.633 10.166 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.189 1.308 7.399 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.455 -1.359 8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.349 -2.169 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.370 -0.895 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.269 -0.508 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.970 -2.219 7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.778 -0.563 6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.173 -0.980 8.041 1.00 0.00 H new ATOM 621 N THR A 43 -8.627 1.478 8.189 1.00 0.00 N ATOM 622 CA THR A 43 -9.956 1.731 8.667 1.00 0.00 C ATOM 623 C THR A 43 -10.530 0.448 9.327 1.00 0.00 C ATOM 624 O THR A 43 -10.240 -0.687 8.881 1.00 0.00 O ATOM 625 CB THR A 43 -10.858 2.205 7.510 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.192 2.455 7.966 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.883 1.161 6.425 1.00 0.00 C ATOM 0 H THR A 43 -8.502 1.660 7.193 1.00 0.00 H new ATOM 0 HA THR A 43 -9.924 2.522 9.416 1.00 0.00 H new ATOM 0 HB THR A 43 -10.449 3.136 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.744 2.756 7.214 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.521 1.499 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.872 1.000 6.052 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.274 0.227 6.828 1.00 0.00 H new ATOM 664 N ALA A 47 -14.171 -3.070 3.857 1.00 0.00 N ATOM 665 CA ALA A 47 -13.763 -4.151 2.938 1.00 0.00 C ATOM 666 C ALA A 47 -12.231 -4.223 2.698 1.00 0.00 C ATOM 667 O ALA A 47 -11.767 -4.632 1.643 1.00 0.00 O ATOM 668 CB ALA A 47 -14.526 -4.003 1.646 1.00 0.00 C ATOM 0 HA ALA A 47 -14.011 -5.102 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.234 -4.796 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.595 -4.071 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.301 -3.034 1.200 1.00 0.00 H new ATOM 674 N ALA A 48 -11.483 -3.889 3.720 1.00 0.00 N ATOM 675 CA ALA A 48 -10.047 -3.991 3.743 1.00 0.00 C ATOM 676 C ALA A 48 -9.690 -5.000 4.820 1.00 0.00 C ATOM 677 O ALA A 48 -9.218 -6.091 4.527 1.00 0.00 O ATOM 678 CB ALA A 48 -9.409 -2.639 4.036 1.00 0.00 C ATOM 0 H ALA A 48 -11.873 -3.526 4.590 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.671 -4.313 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.324 -2.744 4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.696 -1.926 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.749 -2.279 5.007 1.00 0.00 H new ATOM 684 N GLN A 49 -9.986 -4.658 6.081 1.00 0.00 N ATOM 685 CA GLN A 49 -9.769 -5.606 7.175 1.00 0.00 C ATOM 686 C GLN A 49 -10.820 -6.705 7.164 1.00 0.00 C ATOM 687 O GLN A 49 -10.576 -7.811 7.636 1.00 0.00 O ATOM 688 CB GLN A 49 -9.688 -4.932 8.545 1.00 0.00 C ATOM 689 CG GLN A 49 -8.478 -4.032 8.704 1.00 0.00 C ATOM 690 CD GLN A 49 -8.294 -3.543 10.120 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.617 -4.176 10.917 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.874 -2.434 10.436 1.00 0.00 N ATOM 0 H GLN A 49 -10.367 -3.755 6.362 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.794 -6.060 7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.592 -4.345 8.706 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.664 -5.700 9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.585 -4.574 8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.579 -3.175 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.431 -1.934 9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.775 -2.057 11.379 1.00 0.00 H new ATOM 701 N ARG A 50 -11.998 -6.403 6.609 1.00 0.00 N ATOM 702 CA ARG A 50 -13.013 -7.429 6.417 1.00 0.00 C ATOM 703 C ARG A 50 -12.570 -8.401 5.359 1.00 0.00 C ATOM 704 O ARG A 50 -12.955 -9.572 5.370 1.00 0.00 O ATOM 705 CB ARG A 50 -14.374 -6.842 6.047 1.00 0.00 C ATOM 706 CG ARG A 50 -15.162 -6.230 7.201 1.00 0.00 C ATOM 707 CD ARG A 50 -15.682 -7.289 8.180 1.00 0.00 C ATOM 708 NE ARG A 50 -14.608 -7.953 8.930 1.00 0.00 N ATOM 709 CZ ARG A 50 -14.390 -9.272 8.989 1.00 0.00 C ATOM 710 NH1 ARG A 50 -15.113 -10.116 8.257 1.00 0.00 N ATOM 711 NH2 ARG A 50 -13.423 -9.736 9.762 1.00 0.00 N ATOM 0 H ARG A 50 -12.264 -5.471 6.291 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.131 -7.946 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.225 -6.076 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.978 -7.628 5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.527 -5.524 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.003 -5.663 6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.371 -6.820 8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.250 -8.038 7.628 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.970 -7.354 9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.844 -9.760 7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.936 -11.119 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.851 -9.090 10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.249 -10.740 9.814 1.00 0.00 H new ATOM 725 N ASP A 51 -11.737 -7.923 4.456 1.00 0.00 N ATOM 726 CA ASP A 51 -11.212 -8.771 3.408 1.00 0.00 C ATOM 727 C ASP A 51 -10.178 -9.704 4.002 1.00 0.00 C ATOM 728 O ASP A 51 -10.297 -10.924 3.906 1.00 0.00 O ATOM 729 CB ASP A 51 -10.589 -7.950 2.300 1.00 0.00 C ATOM 730 CG ASP A 51 -10.200 -8.807 1.131 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.130 -9.424 1.156 1.00 0.00 O ATOM 732 OD2 ASP A 51 -10.987 -8.884 0.176 1.00 0.00 O ATOM 0 H ASP A 51 -11.411 -6.957 4.428 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.032 -9.345 2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.293 -7.185 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.709 -7.432 2.681 1.00 0.00 H new ATOM 737 N GLY A 52 -9.169 -9.128 4.620 1.00 0.00 N ATOM 738 CA GLY A 52 -8.187 -9.924 5.321 1.00 0.00 C ATOM 739 C GLY A 52 -6.942 -10.229 4.514 1.00 0.00 C ATOM 740 O GLY A 52 -5.896 -10.530 5.091 1.00 0.00 O ATOM 0 H GLY A 52 -9.009 -8.121 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.896 -9.402 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.648 -10.864 5.625 1.00 0.00 H new ATOM 744 N ARG A 53 -7.027 -10.135 3.183 1.00 0.00 N ATOM 745 CA ARG A 53 -5.873 -10.464 2.337 1.00 0.00 C ATOM 746 C ARG A 53 -4.838 -9.346 2.446 1.00 0.00 C ATOM 747 O ARG A 53 -3.649 -9.545 2.218 1.00 0.00 O ATOM 748 CB ARG A 53 -6.322 -10.688 0.869 1.00 0.00 C ATOM 749 CG ARG A 53 -5.455 -11.651 0.055 1.00 0.00 C ATOM 750 CD ARG A 53 -4.166 -11.020 -0.409 1.00 0.00 C ATOM 751 NE ARG A 53 -3.253 -11.997 -1.000 1.00 0.00 N ATOM 752 CZ ARG A 53 -2.794 -11.965 -2.257 1.00 0.00 C ATOM 753 NH1 ARG A 53 -3.410 -11.226 -3.190 1.00 0.00 N ATOM 754 NH2 ARG A 53 -1.776 -12.735 -2.595 1.00 0.00 N ATOM 0 H ARG A 53 -7.862 -9.841 2.676 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.418 -11.393 2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.345 -11.063 0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.338 -9.724 0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.228 -12.529 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.018 -11.997 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.387 -10.243 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.677 -10.533 0.435 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.940 -12.765 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.237 -10.681 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.052 -11.209 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.347 -13.347 -1.901 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.419 -12.718 -3.550 1.00 0.00 H new ATOM 768 N ILE A 54 -5.300 -8.187 2.822 1.00 0.00 N ATOM 769 CA ILE A 54 -4.446 -7.052 2.995 1.00 0.00 C ATOM 770 C ILE A 54 -4.270 -6.844 4.502 1.00 0.00 C ATOM 771 O ILE A 54 -5.169 -7.204 5.286 1.00 0.00 O ATOM 772 CB ILE A 54 -5.075 -5.792 2.328 1.00 0.00 C ATOM 773 CG1 ILE A 54 -4.016 -4.723 2.078 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.207 -5.224 3.197 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.522 -3.560 1.261 1.00 0.00 C ATOM 0 H ILE A 54 -6.284 -8.005 3.017 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.479 -7.217 2.520 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.493 -6.095 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.650 -4.353 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.167 -5.176 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.632 -4.345 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.983 -5.979 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.811 -4.944 4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.718 -2.837 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.862 -3.918 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.352 -3.083 1.782 1.00 0.00 H new ATOM 787 N GLN A 55 -3.144 -6.339 4.925 1.00 0.00 N ATOM 788 CA GLN A 55 -2.903 -6.144 6.339 1.00 0.00 C ATOM 789 C GLN A 55 -2.417 -4.730 6.644 1.00 0.00 C ATOM 790 O GLN A 55 -2.001 -3.997 5.755 1.00 0.00 O ATOM 791 CB GLN A 55 -1.862 -7.155 6.844 1.00 0.00 C ATOM 792 CG GLN A 55 -2.288 -8.613 6.778 1.00 0.00 C ATOM 793 CD GLN A 55 -3.332 -8.951 7.807 1.00 0.00 C ATOM 794 OE1 GLN A 55 -3.004 -9.342 8.919 1.00 0.00 O ATOM 795 NE2 GLN A 55 -4.577 -8.761 7.482 1.00 0.00 N ATOM 0 H GLN A 55 -2.376 -6.054 4.317 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.852 -6.297 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.949 -7.033 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.615 -6.912 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.678 -8.830 5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.416 -9.251 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.816 -8.434 6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.315 -8.939 8.163 1.00 0.00 H new ATOM 804 N VAL A 56 -2.448 -4.371 7.928 1.00 0.00 N ATOM 805 CA VAL A 56 -1.939 -3.076 8.398 1.00 0.00 C ATOM 806 C VAL A 56 -0.422 -3.188 8.594 1.00 0.00 C ATOM 807 O VAL A 56 0.277 -2.217 8.788 1.00 0.00 O ATOM 808 CB VAL A 56 -2.618 -2.654 9.757 1.00 0.00 C ATOM 809 CG1 VAL A 56 -2.233 -3.592 10.902 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.315 -1.194 10.123 1.00 0.00 C ATOM 0 H VAL A 56 -2.823 -4.963 8.669 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.174 -2.314 7.655 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.694 -2.740 9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.722 -3.266 11.820 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.550 -4.607 10.663 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.152 -3.573 11.040 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.803 -0.947 11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.238 -1.061 10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.689 -0.537 9.338 1.00 0.00 H new ATOM 820 N ASN A 57 0.061 -4.393 8.495 1.00 0.00 N ATOM 821 CA ASN A 57 1.456 -4.693 8.738 1.00 0.00 C ATOM 822 C ASN A 57 2.179 -4.872 7.401 1.00 0.00 C ATOM 823 O ASN A 57 3.299 -5.381 7.321 1.00 0.00 O ATOM 824 CB ASN A 57 1.527 -5.954 9.627 1.00 0.00 C ATOM 825 CG ASN A 57 2.925 -6.349 10.081 1.00 0.00 C ATOM 826 OD1 ASN A 57 3.588 -7.182 9.460 1.00 0.00 O ATOM 827 ND2 ASN A 57 3.384 -5.761 11.152 1.00 0.00 N ATOM 0 H ASN A 57 -0.501 -5.206 8.242 1.00 0.00 H new ATOM 0 HA ASN A 57 1.956 -3.878 9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.908 -5.792 10.509 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.090 -6.790 9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.317 -5.987 11.498 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.810 -5.076 11.643 1.00 0.00 H new ATOM 834 N ASP A 58 1.550 -4.402 6.360 1.00 0.00 N ATOM 835 CA ASP A 58 2.097 -4.528 5.033 1.00 0.00 C ATOM 836 C ASP A 58 2.720 -3.222 4.575 1.00 0.00 C ATOM 837 O ASP A 58 2.721 -2.219 5.305 1.00 0.00 O ATOM 838 CB ASP A 58 1.036 -4.987 4.018 1.00 0.00 C ATOM 839 CG ASP A 58 0.528 -6.405 4.241 1.00 0.00 C ATOM 840 OD1 ASP A 58 1.239 -7.222 4.879 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.601 -6.724 3.788 1.00 0.00 O ATOM 0 H ASP A 58 0.650 -3.924 6.404 1.00 0.00 H new ATOM 0 HA ASP A 58 2.872 -5.293 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.191 -4.300 4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.456 -4.918 3.015 1.00 0.00 H new ATOM 846 N GLN A 59 3.239 -3.234 3.374 1.00 0.00 N ATOM 847 CA GLN A 59 3.868 -2.087 2.767 1.00 0.00 C ATOM 848 C GLN A 59 3.250 -1.879 1.388 1.00 0.00 C ATOM 849 O GLN A 59 3.224 -2.811 0.577 1.00 0.00 O ATOM 850 CB GLN A 59 5.387 -2.332 2.673 1.00 0.00 C ATOM 851 CG GLN A 59 6.169 -1.247 1.952 1.00 0.00 C ATOM 852 CD GLN A 59 7.669 -1.421 2.062 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.304 -2.088 1.236 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.249 -0.802 3.058 1.00 0.00 N ATOM 0 H GLN A 59 3.236 -4.061 2.776 1.00 0.00 H new ATOM 0 HA GLN A 59 3.710 -1.189 3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.786 -2.437 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.556 -3.280 2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.886 -1.243 0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.891 -0.275 2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.690 -0.262 3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.261 -0.860 3.174 1.00 0.00 H new ATOM 863 N ILE A 60 2.730 -0.685 1.127 1.00 0.00 N ATOM 864 CA ILE A 60 2.055 -0.408 -0.138 1.00 0.00 C ATOM 865 C ILE A 60 3.080 -0.220 -1.250 1.00 0.00 C ATOM 866 O ILE A 60 3.582 0.860 -1.442 1.00 0.00 O ATOM 867 CB ILE A 60 1.185 0.873 -0.095 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.169 0.863 1.053 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.463 1.023 -1.408 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.802 -0.304 1.041 1.00 0.00 C ATOM 0 H ILE A 60 2.762 0.105 1.771 1.00 0.00 H new ATOM 0 HA ILE A 60 1.409 -1.266 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 60 1.853 1.717 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.712 0.855 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.402 1.791 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.151 1.923 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.190 1.101 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.173 0.154 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.479 -0.222 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.378 -0.289 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.247 -1.240 1.108 1.00 0.00 H new ATOM 882 N VAL A 61 3.359 -1.255 -1.978 1.00 0.00 N ATOM 883 CA VAL A 61 4.400 -1.199 -2.994 1.00 0.00 C ATOM 884 C VAL A 61 3.894 -0.516 -4.266 1.00 0.00 C ATOM 885 O VAL A 61 4.579 0.317 -4.870 1.00 0.00 O ATOM 886 CB VAL A 61 4.921 -2.617 -3.303 1.00 0.00 C ATOM 887 CG1 VAL A 61 6.027 -2.607 -4.335 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.384 -3.297 -2.034 1.00 0.00 C ATOM 0 H VAL A 61 2.888 -2.157 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 61 5.225 -0.603 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 61 4.091 -3.182 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.362 -3.628 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.655 -2.174 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.863 -2.012 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.749 -4.297 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.187 -2.715 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.551 -3.370 -1.335 1.00 0.00 H new ATOM 898 N GLU A 62 2.696 -0.840 -4.649 1.00 0.00 N ATOM 899 CA GLU A 62 2.102 -0.276 -5.823 1.00 0.00 C ATOM 900 C GLU A 62 0.615 -0.243 -5.638 1.00 0.00 C ATOM 901 O GLU A 62 0.041 -1.214 -5.192 1.00 0.00 O ATOM 902 CB GLU A 62 2.440 -1.140 -7.032 1.00 0.00 C ATOM 903 CG GLU A 62 1.895 -0.626 -8.345 1.00 0.00 C ATOM 904 CD GLU A 62 2.260 -1.514 -9.495 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.459 -1.586 -9.842 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.367 -2.156 -10.075 1.00 0.00 O ATOM 0 H GLU A 62 2.101 -1.505 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 62 2.484 0.732 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.524 -1.223 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.055 -2.146 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.810 -0.546 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.278 0.378 -8.527 1.00 0.00 H new ATOM 913 N VAL A 63 0.010 0.875 -5.904 1.00 0.00 N ATOM 914 CA VAL A 63 -1.420 0.969 -5.905 1.00 0.00 C ATOM 915 C VAL A 63 -1.886 1.474 -7.231 1.00 0.00 C ATOM 916 O VAL A 63 -1.337 2.442 -7.740 1.00 0.00 O ATOM 917 CB VAL A 63 -1.981 1.846 -4.738 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.370 2.383 -5.055 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.087 0.999 -3.530 1.00 0.00 C ATOM 0 H VAL A 63 0.492 1.746 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.813 -0.033 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.306 2.689 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.726 2.987 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.326 2.997 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.054 1.550 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.477 1.592 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.761 0.165 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.101 0.614 -3.268 1.00 0.00 H new ATOM 929 N ASP A 64 -2.789 0.724 -7.840 1.00 0.00 N ATOM 930 CA ASP A 64 -3.499 1.113 -9.079 1.00 0.00 C ATOM 931 C ASP A 64 -2.557 1.129 -10.297 1.00 0.00 C ATOM 932 O ASP A 64 -2.940 1.446 -11.420 1.00 0.00 O ATOM 933 CB ASP A 64 -4.219 2.474 -8.866 1.00 0.00 C ATOM 934 CG ASP A 64 -5.134 2.881 -9.992 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.256 2.350 -10.072 1.00 0.00 O ATOM 936 OD2 ASP A 64 -4.751 3.759 -10.804 1.00 0.00 O ATOM 0 H ASP A 64 -3.065 -0.194 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.257 0.361 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.799 2.423 -7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.467 3.251 -8.727 1.00 0.00 H new ATOM 941 N GLY A 65 -1.344 0.699 -10.072 1.00 0.00 N ATOM 942 CA GLY A 65 -0.339 0.726 -11.094 1.00 0.00 C ATOM 943 C GLY A 65 0.415 2.033 -11.098 1.00 0.00 C ATOM 944 O GLY A 65 1.147 2.329 -12.029 1.00 0.00 O ATOM 0 H GLY A 65 -1.028 0.322 -9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.359 -0.097 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.805 0.571 -12.067 1.00 0.00 H new ATOM 948 N ILE A 66 0.248 2.817 -10.034 1.00 0.00 N ATOM 949 CA ILE A 66 0.900 4.109 -9.933 1.00 0.00 C ATOM 950 C ILE A 66 2.383 3.935 -9.557 1.00 0.00 C ATOM 951 O ILE A 66 3.178 4.833 -9.747 1.00 0.00 O ATOM 952 CB ILE A 66 0.174 5.031 -8.887 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.381 6.497 -9.262 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.701 4.773 -7.468 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.380 7.463 -8.397 1.00 0.00 C ATOM 0 H ILE A 66 -0.335 2.574 -9.233 1.00 0.00 H new ATOM 0 HA ILE A 66 0.840 4.593 -10.908 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.891 4.799 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.444 6.730 -9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.082 6.642 -10.300 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.183 5.423 -6.763 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.525 3.732 -7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.771 4.980 -7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.180 8.482 -8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.448 7.259 -8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.065 7.349 -7.360 1.00 0.00 H new ATOM 967 N SER A 67 2.706 2.733 -9.060 1.00 0.00 N ATOM 968 CA SER A 67 4.019 2.334 -8.569 1.00 0.00 C ATOM 969 C SER A 67 4.716 3.445 -7.772 1.00 0.00 C ATOM 970 O SER A 67 5.578 4.167 -8.276 1.00 0.00 O ATOM 971 CB SER A 67 4.856 1.842 -9.719 1.00 0.00 C ATOM 972 OG SER A 67 4.133 0.904 -10.533 1.00 0.00 O ATOM 0 H SER A 67 2.021 1.981 -8.989 1.00 0.00 H new ATOM 0 HA SER A 67 3.886 1.517 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.171 2.688 -10.330 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.761 1.371 -9.336 1.00 0.00 H new ATOM 0 HG SER A 67 4.224 0.004 -10.155 1.00 0.00 H new ATOM 978 N LEU A 68 4.333 3.563 -6.541 1.00 0.00 N ATOM 979 CA LEU A 68 4.805 4.601 -5.673 1.00 0.00 C ATOM 980 C LEU A 68 6.080 4.184 -4.917 1.00 0.00 C ATOM 981 O LEU A 68 6.372 4.650 -3.819 1.00 0.00 O ATOM 982 CB LEU A 68 3.640 5.084 -4.759 1.00 0.00 C ATOM 983 CG LEU A 68 2.957 4.134 -3.714 1.00 0.00 C ATOM 984 CD1 LEU A 68 2.526 2.783 -4.224 1.00 0.00 C ATOM 985 CD2 LEU A 68 3.675 4.066 -2.376 1.00 0.00 C ATOM 0 H LEU A 68 3.669 2.928 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 68 5.118 5.461 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.011 5.946 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.851 5.445 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 68 2.012 4.644 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.068 2.217 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.803 2.912 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.395 2.242 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.140 3.389 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.691 3.700 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.710 5.060 -1.931 1.00 0.00 H new ATOM 997 N VAL A 69 6.872 3.364 -5.567 1.00 0.00 N ATOM 998 CA VAL A 69 8.117 2.898 -5.020 1.00 0.00 C ATOM 999 C VAL A 69 9.119 4.055 -4.986 1.00 0.00 C ATOM 1000 O VAL A 69 9.584 4.512 -6.030 1.00 0.00 O ATOM 1001 CB VAL A 69 8.709 1.730 -5.859 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.992 1.195 -5.230 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.693 0.608 -6.033 1.00 0.00 C ATOM 0 H VAL A 69 6.666 3.001 -6.497 1.00 0.00 H new ATOM 0 HA VAL A 69 7.927 2.529 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 69 8.952 2.126 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.383 0.379 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.731 1.994 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.780 0.829 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.135 -0.195 -6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.405 0.223 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.811 0.992 -6.545 1.00 0.00 H new ATOM 1013 N GLY A 70 9.371 4.570 -3.802 1.00 0.00 N ATOM 1014 CA GLY A 70 10.353 5.617 -3.646 1.00 0.00 C ATOM 1015 C GLY A 70 9.732 6.983 -3.453 1.00 0.00 C ATOM 1016 O GLY A 70 10.408 8.012 -3.600 1.00 0.00 O ATOM 0 H GLY A 70 8.911 4.282 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.988 5.388 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.998 5.637 -4.525 1.00 0.00 H new ATOM 1020 N VAL A 71 8.459 7.020 -3.131 1.00 0.00 N ATOM 1021 CA VAL A 71 7.801 8.289 -2.896 1.00 0.00 C ATOM 1022 C VAL A 71 7.760 8.606 -1.411 1.00 0.00 C ATOM 1023 O VAL A 71 8.174 7.793 -0.578 1.00 0.00 O ATOM 1024 CB VAL A 71 6.362 8.334 -3.463 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.355 8.008 -4.947 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.429 7.413 -2.685 1.00 0.00 C ATOM 0 H VAL A 71 7.863 6.199 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 71 8.391 9.038 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 71 5.986 9.350 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.333 8.046 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.966 8.735 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.762 7.009 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.426 7.468 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.794 6.388 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.399 7.723 -1.641 1.00 0.00 H new ATOM 1036 N THR A 72 7.266 9.762 -1.093 1.00 0.00 N ATOM 1037 CA THR A 72 7.124 10.188 0.255 1.00 0.00 C ATOM 1038 C THR A 72 5.766 9.811 0.772 1.00 0.00 C ATOM 1039 O THR A 72 4.888 9.358 0.007 1.00 0.00 O ATOM 1040 CB THR A 72 7.293 11.701 0.354 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.566 12.318 -0.721 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.754 12.108 0.306 1.00 0.00 C ATOM 0 H THR A 72 6.946 10.445 -1.779 1.00 0.00 H new ATOM 0 HA THR A 72 7.893 9.699 0.853 1.00 0.00 H new ATOM 0 HB THR A 72 6.900 12.035 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.172 13.159 -0.409 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.832 13.193 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.287 11.649 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.194 11.775 -0.634 1.00 0.00 H new ATOM 1050 N GLN A 73 5.576 10.024 2.050 1.00 0.00 N ATOM 1051 CA GLN A 73 4.340 9.710 2.706 1.00 0.00 C ATOM 1052 C GLN A 73 3.186 10.520 2.096 1.00 0.00 C ATOM 1053 O GLN A 73 2.093 10.023 1.958 1.00 0.00 O ATOM 1054 CB GLN A 73 4.434 9.938 4.251 1.00 0.00 C ATOM 1055 CG GLN A 73 4.224 11.372 4.717 1.00 0.00 C ATOM 1056 CD GLN A 73 5.283 12.329 4.219 1.00 0.00 C ATOM 1057 OE1 GLN A 73 6.493 11.884 4.150 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 5.004 13.488 3.954 1.00 0.00 N flip ATOM 0 H GLN A 73 6.284 10.424 2.666 1.00 0.00 H new ATOM 0 HA GLN A 73 4.137 8.651 2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.694 9.304 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.414 9.604 4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.247 11.716 4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.210 11.393 5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.037 13.807 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.737 14.137 3.668 1.00 0.00 H new ATOM 1067 N ASN A 74 3.474 11.741 1.664 1.00 0.00 N ATOM 1068 CA ASN A 74 2.442 12.610 1.135 1.00 0.00 C ATOM 1069 C ASN A 74 1.988 12.163 -0.236 1.00 0.00 C ATOM 1070 O ASN A 74 0.809 12.300 -0.570 1.00 0.00 O ATOM 1071 CB ASN A 74 2.851 14.095 1.139 1.00 0.00 C ATOM 1072 CG ASN A 74 4.040 14.416 0.270 1.00 0.00 C ATOM 1073 OD1 ASN A 74 5.200 14.474 0.859 1.00 0.00 O flip ATOM 1074 ND2 ASN A 74 3.896 14.679 -0.922 1.00 0.00 N flip ATOM 0 H ASN A 74 4.410 12.146 1.671 1.00 0.00 H new ATOM 0 HA ASN A 74 1.592 12.524 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.002 14.694 0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.073 14.395 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.971 14.622 -1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.701 14.954 -1.485 1.00 0.00 H new ATOM 1081 N PHE A 75 2.898 11.600 -1.025 1.00 0.00 N ATOM 1082 CA PHE A 75 2.514 11.079 -2.318 1.00 0.00 C ATOM 1083 C PHE A 75 1.669 9.851 -2.091 1.00 0.00 C ATOM 1084 O PHE A 75 0.566 9.729 -2.640 1.00 0.00 O ATOM 1085 CB PHE A 75 3.727 10.705 -3.179 1.00 0.00 C ATOM 1086 CG PHE A 75 3.361 10.279 -4.599 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.895 8.990 -4.871 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.480 11.165 -5.653 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.563 8.608 -6.150 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.147 10.784 -6.942 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.687 9.504 -7.189 1.00 0.00 C ATOM 0 H PHE A 75 3.886 11.497 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 75 1.964 11.853 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.404 11.558 -3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.270 9.894 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.794 8.281 -4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.837 12.167 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.205 7.607 -6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.247 11.488 -7.755 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.426 9.207 -8.194 1.00 0.00 H new ATOM 1101 N ALA A 76 2.181 8.955 -1.250 1.00 0.00 N ATOM 1102 CA ALA A 76 1.502 7.718 -0.947 1.00 0.00 C ATOM 1103 C ALA A 76 0.113 7.969 -0.373 1.00 0.00 C ATOM 1104 O ALA A 76 -0.857 7.421 -0.869 1.00 0.00 O ATOM 1105 CB ALA A 76 2.332 6.874 -0.013 1.00 0.00 C ATOM 0 H ALA A 76 3.072 9.074 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 76 1.372 7.170 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.804 5.945 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.289 6.646 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.504 7.420 0.915 1.00 0.00 H new ATOM 1111 N ALA A 77 0.019 8.846 0.624 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.261 9.187 1.255 1.00 0.00 C ATOM 1113 C ALA A 77 -2.263 9.677 0.222 1.00 0.00 C ATOM 1114 O ALA A 77 -3.434 9.359 0.302 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.070 10.229 2.347 1.00 0.00 C ATOM 0 H ALA A 77 0.820 9.339 1.018 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.657 8.281 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.034 10.464 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.398 9.837 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.641 11.134 1.916 1.00 0.00 H new ATOM 1121 N THR A 78 -1.773 10.412 -0.764 1.00 0.00 N ATOM 1122 CA THR A 78 -2.584 10.897 -1.854 1.00 0.00 C ATOM 1123 C THR A 78 -3.157 9.723 -2.688 1.00 0.00 C ATOM 1124 O THR A 78 -4.359 9.698 -3.006 1.00 0.00 O ATOM 1125 CB THR A 78 -1.755 11.858 -2.745 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.353 13.001 -1.970 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.532 12.308 -3.975 1.00 0.00 C ATOM 0 H THR A 78 -0.793 10.687 -0.825 1.00 0.00 H new ATOM 0 HA THR A 78 -3.428 11.447 -1.439 1.00 0.00 H new ATOM 0 HB THR A 78 -0.876 11.318 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.711 12.722 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.914 12.980 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.802 11.438 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.437 12.829 -3.663 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.316 8.752 -3.007 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.745 7.580 -3.772 1.00 0.00 C ATOM 1137 C VAL A 79 -3.755 6.751 -2.975 1.00 0.00 C ATOM 1138 O VAL A 79 -4.840 6.439 -3.468 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.565 6.668 -4.168 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.054 5.561 -5.080 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.482 7.474 -4.830 1.00 0.00 C ATOM 0 H VAL A 79 -1.329 8.748 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.205 7.964 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.145 6.215 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.216 4.920 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.808 4.969 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.490 5.996 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.344 6.818 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.879 7.951 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.125 8.239 -4.140 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.404 6.450 -1.726 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.255 5.652 -0.814 1.00 0.00 C ATOM 1153 C LEU A 80 -5.525 6.430 -0.374 1.00 0.00 C ATOM 1154 O LEU A 80 -6.373 5.911 0.348 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.465 5.160 0.437 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.388 4.042 0.249 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -2.972 2.802 -0.369 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.195 4.505 -0.553 1.00 0.00 C ATOM 0 H LEU A 80 -2.523 6.748 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.573 4.777 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.970 6.026 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.191 4.801 1.167 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.037 3.802 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.191 2.050 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.761 2.412 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.388 3.044 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.482 3.686 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.523 4.820 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.718 5.343 -0.045 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.598 7.677 -0.783 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.760 8.543 -0.571 1.00 0.00 C ATOM 1172 C ARG A 81 -7.676 8.426 -1.777 1.00 0.00 C ATOM 1173 O ARG A 81 -8.879 8.212 -1.661 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.281 9.993 -0.488 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.366 11.046 -0.401 1.00 0.00 C ATOM 1176 CD ARG A 81 -6.775 12.405 -0.730 1.00 0.00 C ATOM 1177 NE ARG A 81 -7.744 13.496 -0.602 1.00 0.00 N ATOM 1178 CZ ARG A 81 -7.519 14.781 -0.942 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -6.340 15.158 -1.433 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -8.474 15.682 -0.780 1.00 0.00 N ATOM 0 H ARG A 81 -4.839 8.138 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.280 8.254 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.635 10.092 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.668 10.203 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.173 10.811 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.798 11.057 0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.930 12.597 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.386 12.389 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.663 13.265 -0.225 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.595 14.472 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.181 16.133 -1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.378 15.404 -0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.306 16.655 -1.036 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.056 8.509 -2.942 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.746 8.543 -4.235 1.00 0.00 C ATOM 1196 C ASN A 82 -8.239 7.184 -4.689 1.00 0.00 C ATOM 1197 O ASN A 82 -8.716 7.019 -5.813 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.848 9.167 -5.292 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.994 10.662 -5.341 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.819 11.186 -6.088 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -6.215 11.360 -4.555 1.00 0.00 N ATOM 0 H ASN A 82 -6.040 8.556 -3.025 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.635 9.159 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.809 8.910 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.090 8.747 -6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.279 12.378 -4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.544 10.886 -3.950 1.00 0.00 H new ATOM 1208 N THR A 83 -8.088 6.223 -3.835 1.00 0.00 N ATOM 1209 CA THR A 83 -8.556 4.879 -4.050 1.00 0.00 C ATOM 1210 C THR A 83 -10.078 4.796 -4.170 1.00 0.00 C ATOM 1211 O THR A 83 -10.815 5.647 -3.642 1.00 0.00 O ATOM 1212 CB THR A 83 -8.114 4.026 -2.882 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.419 4.746 -1.662 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.624 3.745 -2.970 1.00 0.00 C ATOM 0 H THR A 83 -7.621 6.350 -2.937 1.00 0.00 H new ATOM 0 HA THR A 83 -8.134 4.527 -4.991 1.00 0.00 H new ATOM 0 HB THR A 83 -8.636 3.069 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.597 4.875 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.319 3.130 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.408 3.217 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.075 4.686 -2.951 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.511 3.783 -4.858 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.902 3.473 -5.045 1.00 0.00 C ATOM 1224 C LYS A 84 -12.166 2.092 -4.484 1.00 0.00 C ATOM 1225 O LYS A 84 -11.387 1.616 -3.657 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.246 3.542 -6.541 1.00 0.00 C ATOM 1227 CG LYS A 84 -12.303 4.949 -7.089 1.00 0.00 C ATOM 1228 CD LYS A 84 -13.426 5.715 -6.423 1.00 0.00 C ATOM 1229 CE LYS A 84 -13.556 7.110 -6.959 1.00 0.00 C ATOM 1230 NZ LYS A 84 -14.696 7.810 -6.345 1.00 0.00 N ATOM 0 H LYS A 84 -9.886 3.124 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.531 4.193 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -11.504 2.973 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.209 3.059 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.353 5.455 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.458 4.923 -8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.365 5.182 -6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.248 5.756 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.638 7.664 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.686 7.077 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.763 8.772 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.574 7.292 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.558 7.861 -5.315 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.271 1.491 -4.883 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.592 0.147 -4.465 1.00 0.00 C ATOM 1246 C GLY A 85 -12.521 -0.844 -4.876 1.00 0.00 C ATOM 1247 O GLY A 85 -11.798 -1.366 -4.039 1.00 0.00 O ATOM 0 H GLY A 85 -13.962 1.918 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.713 0.123 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.547 -0.150 -4.899 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.388 -1.077 -6.155 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.391 -2.021 -6.630 1.00 0.00 C ATOM 1253 C ASN A 86 -10.043 -1.361 -6.734 1.00 0.00 C ATOM 1254 O ASN A 86 -9.866 -0.365 -7.459 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.794 -2.700 -7.946 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.007 -3.598 -7.781 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.135 -3.158 -7.937 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -12.791 -4.854 -7.469 1.00 0.00 N ATOM 0 H ASN A 86 -12.947 -0.636 -6.885 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.326 -2.818 -5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.008 -1.938 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -10.957 -3.289 -8.320 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.578 -5.493 -7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.837 -5.192 -7.345 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.107 -1.875 -5.974 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.775 -1.318 -5.904 1.00 0.00 C ATOM 1267 C VAL A 87 -6.763 -2.414 -6.082 1.00 0.00 C ATOM 1268 O VAL A 87 -6.842 -3.427 -5.417 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.486 -0.706 -4.525 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.270 0.187 -4.568 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.683 -0.014 -3.945 1.00 0.00 C ATOM 0 H VAL A 87 -9.247 -2.695 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.711 -0.556 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.259 -1.529 -3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.091 0.606 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.402 -0.395 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.438 0.996 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.426 0.401 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.997 0.790 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.497 -0.730 -3.832 1.00 0.00 H new ATOM 1281 N ARG A 88 -5.831 -2.217 -6.953 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.752 -3.152 -7.119 1.00 0.00 C ATOM 1283 C ARG A 88 -3.559 -2.746 -6.299 1.00 0.00 C ATOM 1284 O ARG A 88 -2.828 -1.815 -6.651 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.389 -3.297 -8.573 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.425 -4.066 -9.343 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.136 -4.059 -10.811 1.00 0.00 C ATOM 1288 NE ARG A 88 -3.803 -4.594 -11.132 1.00 0.00 N ATOM 1289 CZ ARG A 88 -3.565 -5.585 -12.015 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -4.576 -6.256 -12.578 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -2.318 -5.919 -12.303 1.00 0.00 N ATOM 0 H ARG A 88 -5.789 -1.407 -7.572 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.087 -4.125 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.269 -2.308 -9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.427 -3.803 -8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.458 -5.094 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.409 -3.633 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.893 -4.648 -11.329 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.213 -3.039 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.001 -4.186 -10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.540 -6.020 -12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.383 -7.004 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.543 -5.428 -11.858 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.132 -6.668 -12.970 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.415 -3.390 -5.182 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.297 -3.198 -4.311 1.00 0.00 C ATOM 1307 C PHE A 89 -1.290 -4.255 -4.647 1.00 0.00 C ATOM 1308 O PHE A 89 -1.539 -5.413 -4.412 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.689 -3.415 -2.849 1.00 0.00 C ATOM 1310 CG PHE A 89 -3.744 -2.537 -2.302 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.413 -1.344 -1.716 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.062 -2.920 -2.330 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.374 -0.533 -1.176 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.025 -2.116 -1.781 1.00 0.00 C ATOM 1315 CZ PHE A 89 -5.682 -0.925 -1.209 1.00 0.00 C ATOM 0 H PHE A 89 -4.086 -4.079 -4.843 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.919 -2.184 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.015 -4.449 -2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.795 -3.294 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.378 -1.039 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.340 -3.858 -2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.100 0.410 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.060 -2.425 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.446 -0.292 -0.782 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.184 -3.902 -5.187 1.00 0.00 N ATOM 1326 CA VAL A 90 0.800 -4.906 -5.492 1.00 0.00 C ATOM 1327 C VAL A 90 1.837 -4.861 -4.397 1.00 0.00 C ATOM 1328 O VAL A 90 2.961 -4.408 -4.575 1.00 0.00 O ATOM 1329 CB VAL A 90 1.436 -4.759 -6.899 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.231 -6.011 -7.271 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.364 -4.461 -7.934 1.00 0.00 C ATOM 0 H VAL A 90 0.073 -2.945 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 90 0.311 -5.879 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 90 2.132 -3.920 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.667 -5.884 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.026 -6.167 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.567 -6.876 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.825 -4.360 -8.917 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.359 -5.276 -7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.144 -3.532 -7.675 1.00 0.00 H new ATOM 1341 N ILE A 91 1.361 -5.213 -3.236 1.00 0.00 N ATOM 1342 CA ILE A 91 2.086 -5.225 -2.005 1.00 0.00 C ATOM 1343 C ILE A 91 2.985 -6.429 -1.952 1.00 0.00 C ATOM 1344 O ILE A 91 2.738 -7.427 -2.597 1.00 0.00 O ATOM 1345 CB ILE A 91 1.061 -5.244 -0.823 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.340 -3.906 -0.745 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.676 -5.616 0.532 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.760 -3.858 0.262 1.00 0.00 C ATOM 0 H ILE A 91 0.394 -5.518 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 91 2.711 -4.335 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 91 0.348 -6.039 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.067 -3.128 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.071 -3.671 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.901 -5.607 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.114 -6.612 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.450 -4.894 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.220 -2.870 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.510 -4.610 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.355 -4.059 1.254 1.00 0.00 H new ATOM 1360 N GLY A 92 4.020 -6.318 -1.220 1.00 0.00 N ATOM 1361 CA GLY A 92 4.880 -7.393 -1.065 1.00 0.00 C ATOM 1362 C GLY A 92 5.167 -7.599 0.374 1.00 0.00 C ATOM 1363 O GLY A 92 5.182 -6.635 1.147 1.00 0.00 O ATOM 0 H GLY A 92 4.287 -5.473 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.434 -8.292 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.807 -7.211 -1.608 1.00 0.00 H new ATOM 1367 N ARG A 93 5.401 -8.806 0.744 1.00 0.00 N ATOM 1368 CA ARG A 93 5.660 -9.122 2.109 1.00 0.00 C ATOM 1369 C ARG A 93 7.120 -9.536 2.204 1.00 0.00 C ATOM 1370 O ARG A 93 7.614 -10.276 1.346 1.00 0.00 O ATOM 1371 CB ARG A 93 4.721 -10.262 2.559 1.00 0.00 C ATOM 1372 CG ARG A 93 4.286 -10.228 4.030 1.00 0.00 C ATOM 1373 CD ARG A 93 5.444 -10.314 5.003 1.00 0.00 C ATOM 1374 NE ARG A 93 4.984 -10.288 6.386 1.00 0.00 N ATOM 1375 CZ ARG A 93 5.746 -10.538 7.457 1.00 0.00 C ATOM 1376 NH1 ARG A 93 7.070 -10.646 7.348 1.00 0.00 N ATOM 1377 NH2 ARG A 93 5.180 -10.626 8.651 1.00 0.00 N ATOM 0 H ARG A 93 5.419 -9.606 0.112 1.00 0.00 H new ATOM 0 HA ARG A 93 5.476 -8.269 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.828 -10.239 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.218 -11.213 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.733 -9.308 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.601 -11.055 4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.005 -11.231 4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.128 -9.483 4.830 1.00 0.00 H new ATOM 0 HE ARG A 93 4.003 -10.061 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.517 -10.538 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.636 -10.837 8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.172 -10.504 8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.752 -10.816 9.474 1.00 0.00 H new ATOM 1391 N GLU A 94 7.816 -8.998 3.173 1.00 0.00 N ATOM 1392 CA GLU A 94 9.194 -9.339 3.397 1.00 0.00 C ATOM 1393 C GLU A 94 9.265 -10.445 4.425 1.00 0.00 C ATOM 1394 O GLU A 94 9.030 -10.170 5.604 1.00 0.00 O ATOM 1395 CB GLU A 94 10.006 -8.120 3.855 1.00 0.00 C ATOM 1396 CG GLU A 94 10.000 -6.970 2.864 1.00 0.00 C ATOM 1397 CD GLU A 94 10.997 -5.893 3.200 1.00 0.00 C ATOM 1398 OE1 GLU A 94 12.212 -6.153 3.085 1.00 0.00 O ATOM 1399 OE2 GLU A 94 10.596 -4.771 3.574 1.00 0.00 O ATOM 0 H GLU A 94 7.442 -8.311 3.828 1.00 0.00 H new ATOM 0 HA GLU A 94 9.631 -9.681 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.609 -7.768 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.036 -8.428 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.214 -7.356 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.002 -6.534 2.829 1.00 0.00 H new