USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 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 57 ASN : amide:sc= -0.768 K(o=-0.77,f=-5.8!) USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 38 CYS SG : rot -160:sc= -0.582 USER MOD Set 2.2: A 42 CYS SG : rot 63:sc= 1.55 USER MOD Set 2.3: A 69 CYS SG : rot 175:sc= -0.306 USER MOD Set 2.4: A 72 CYS SG : rot -50:sc= -0.704 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -2.23 K(o=-2.2,f=-2.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.47) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 170:sc= -0.151 USER MOD Single : A 41 SER OG : rot 48:sc= 0.521 USER MOD Single : A 46 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-5.7!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 -16.036 -2.463 -6.315 1.00 0.00 N ATOM 132 CA ASP A 9 -14.640 -2.526 -6.771 1.00 0.00 C ATOM 133 C ASP A 9 -14.185 -1.182 -7.380 1.00 0.00 C ATOM 134 O ASP A 9 -12.998 -0.850 -7.337 1.00 0.00 O ATOM 135 CB ASP A 9 -14.476 -3.682 -7.779 1.00 0.00 C ATOM 136 CG ASP A 9 -15.618 -3.760 -8.801 1.00 0.00 C ATOM 137 OD1 ASP A 9 -15.843 -2.740 -9.489 1.00 0.00 O ATOM 138 OD2 ASP A 9 -16.252 -4.836 -8.876 1.00 0.00 O ATOM 0 HA ASP A 9 -14.000 -2.717 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.531 -3.562 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.419 -4.625 -7.235 1.00 0.00 H new ATOM 143 N ASP A 10 -15.134 -0.401 -7.929 1.00 0.00 N ATOM 144 CA ASP A 10 -14.981 1.026 -8.254 1.00 0.00 C ATOM 145 C ASP A 10 -14.205 1.768 -7.147 1.00 0.00 C ATOM 146 O ASP A 10 -13.034 2.131 -7.311 1.00 0.00 O ATOM 147 CB ASP A 10 -16.378 1.645 -8.486 1.00 0.00 C ATOM 148 CG ASP A 10 -17.225 0.874 -9.504 1.00 0.00 C ATOM 149 OD1 ASP A 10 -16.952 1.028 -10.716 1.00 0.00 O ATOM 150 OD2 ASP A 10 -18.139 0.147 -9.057 1.00 0.00 O ATOM 0 H ASP A 10 -16.059 -0.760 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.396 1.128 -9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.912 1.685 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.259 2.673 -8.828 1.00 0.00 H new ATOM 155 N GLN A 11 -14.872 2.024 -6.000 1.00 0.00 N ATOM 156 CA GLN A 11 -14.393 2.928 -4.945 1.00 0.00 C ATOM 157 C GLN A 11 -13.254 2.272 -4.136 1.00 0.00 C ATOM 158 O GLN A 11 -12.423 2.973 -3.558 1.00 0.00 O ATOM 159 CB GLN A 11 -15.578 3.310 -4.032 1.00 0.00 C ATOM 160 CG GLN A 11 -15.603 4.801 -3.646 1.00 0.00 C ATOM 161 CD GLN A 11 -16.986 5.338 -3.250 1.00 0.00 C ATOM 162 OE1 GLN A 11 -17.484 6.270 -3.880 1.00 0.00 O ATOM 163 NE2 GLN A 11 -17.615 4.778 -2.212 1.00 0.00 N ATOM 0 H GLN A 11 -15.773 1.598 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.987 3.832 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.511 3.058 -4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.535 2.709 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.915 4.959 -2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.228 5.386 -4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.179 4.006 -1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.531 5.122 -1.925 1.00 0.00 H new ATOM 172 N ARG A 12 -13.198 0.927 -4.119 1.00 0.00 N ATOM 173 CA ARG A 12 -12.011 0.133 -3.770 1.00 0.00 C ATOM 174 C ARG A 12 -10.738 0.768 -4.368 1.00 0.00 C ATOM 175 O ARG A 12 -9.791 1.144 -3.676 1.00 0.00 O ATOM 176 CB ARG A 12 -12.203 -1.313 -4.279 1.00 0.00 C ATOM 177 CG ARG A 12 -12.744 -2.242 -3.179 1.00 0.00 C ATOM 178 CD ARG A 12 -12.659 -3.721 -3.570 1.00 0.00 C ATOM 179 NE ARG A 12 -13.856 -4.451 -3.119 1.00 0.00 N ATOM 180 CZ ARG A 12 -14.209 -4.671 -1.840 1.00 0.00 C ATOM 181 NH1 ARG A 12 -13.479 -4.190 -0.821 1.00 0.00 N ATOM 182 NH2 ARG A 12 -15.315 -5.381 -1.575 1.00 0.00 N ATOM 0 H ARG A 12 -14.004 0.348 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.890 0.115 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.891 -1.312 -5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.251 -1.699 -4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.181 -2.079 -2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.782 -1.984 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.559 -3.811 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.768 -4.168 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.473 -4.823 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.637 -3.645 -1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.766 -4.369 0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.880 -5.749 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.591 -5.553 -0.608 1.00 0.00 H new ATOM 196 N TRP A 13 -10.749 0.920 -5.720 1.00 0.00 N ATOM 197 CA TRP A 13 -9.676 1.578 -6.472 1.00 0.00 C ATOM 198 C TRP A 13 -9.727 3.113 -6.336 1.00 0.00 C ATOM 199 O TRP A 13 -8.742 3.783 -6.680 1.00 0.00 O ATOM 200 CB TRP A 13 -9.712 1.164 -7.961 1.00 0.00 C ATOM 201 CG TRP A 13 -8.427 1.440 -8.698 1.00 0.00 C ATOM 202 CD1 TRP A 13 -8.258 2.304 -9.725 1.00 0.00 C ATOM 203 CD2 TRP A 13 -7.097 0.905 -8.407 1.00 0.00 C ATOM 204 NE1 TRP A 13 -6.928 2.361 -10.082 1.00 0.00 N ATOM 205 CE2 TRP A 13 -6.161 1.524 -9.297 1.00 0.00 C ATOM 206 CE3 TRP A 13 -6.585 -0.045 -7.490 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -4.783 1.248 -9.243 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -5.214 -0.396 -7.491 1.00 0.00 C ATOM 209 CH2 TRP A 13 -4.314 0.254 -8.360 1.00 0.00 C ATOM 0 H TRP A 13 -11.511 0.584 -6.309 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.733 1.244 -6.039 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -9.937 0.100 -8.028 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -10.526 1.694 -8.457 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.050 2.867 -10.196 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.558 2.947 -10.831 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.252 -0.509 -6.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.092 1.791 -9.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.856 -1.165 -6.823 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.267 -0.009 -8.349 1.00 0.00 H new ATOM 220 N GLN A 14 -10.840 3.689 -5.825 1.00 0.00 N ATOM 221 CA GLN A 14 -10.908 5.114 -5.444 1.00 0.00 C ATOM 222 C GLN A 14 -10.035 5.383 -4.198 1.00 0.00 C ATOM 223 O GLN A 14 -9.133 6.221 -4.245 1.00 0.00 O ATOM 224 CB GLN A 14 -12.375 5.532 -5.211 1.00 0.00 C ATOM 225 CG GLN A 14 -12.520 6.910 -4.531 1.00 0.00 C ATOM 226 CD GLN A 14 -13.230 6.896 -3.169 1.00 0.00 C ATOM 227 OE1 GLN A 14 -12.663 6.410 -2.191 1.00 0.00 O ATOM 228 NE2 GLN A 14 -14.453 7.427 -3.075 1.00 0.00 N ATOM 0 H GLN A 14 -11.710 3.180 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.512 5.720 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.896 5.551 -6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.866 4.778 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.527 7.339 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.068 7.572 -5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.902 7.824 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.938 7.436 -2.178 1.00 0.00 H new ATOM 237 N SER A 15 -10.287 4.653 -3.095 1.00 0.00 N ATOM 238 CA SER A 15 -9.391 4.522 -1.934 1.00 0.00 C ATOM 239 C SER A 15 -7.905 4.409 -2.362 1.00 0.00 C ATOM 240 O SER A 15 -7.044 5.131 -1.860 1.00 0.00 O ATOM 241 CB SER A 15 -9.819 3.324 -1.065 1.00 0.00 C ATOM 242 OG SER A 15 -10.773 3.698 -0.091 1.00 0.00 O ATOM 0 H SER A 15 -11.150 4.121 -2.986 1.00 0.00 H new ATOM 0 HA SER A 15 -9.477 5.430 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.236 2.543 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.944 2.900 -0.573 1.00 0.00 H new ATOM 0 HG SER A 15 -11.023 2.913 0.440 1.00 0.00 H new ATOM 248 N VAL A 16 -7.641 3.490 -3.320 1.00 0.00 N ATOM 249 CA VAL A 16 -6.300 3.060 -3.736 1.00 0.00 C ATOM 250 C VAL A 16 -5.711 4.018 -4.796 1.00 0.00 C ATOM 251 O VAL A 16 -4.482 4.095 -4.933 1.00 0.00 O ATOM 252 CB VAL A 16 -6.350 1.603 -4.268 1.00 0.00 C ATOM 253 CG1 VAL A 16 -5.104 1.250 -5.102 1.00 0.00 C ATOM 254 CG2 VAL A 16 -6.465 0.566 -3.136 1.00 0.00 C ATOM 0 H VAL A 16 -8.383 3.017 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.642 3.090 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.242 1.561 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.181 0.221 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.036 1.922 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.211 1.356 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.496 -0.437 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.603 0.652 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.377 0.747 -2.568 1.00 0.00 H new ATOM 264 N LEU A 17 -6.557 4.738 -5.559 1.00 0.00 N ATOM 265 CA LEU A 17 -6.154 5.825 -6.467 1.00 0.00 C ATOM 266 C LEU A 17 -5.832 7.110 -5.671 1.00 0.00 C ATOM 267 O LEU A 17 -4.839 7.784 -5.942 1.00 0.00 O ATOM 268 CB LEU A 17 -7.271 6.119 -7.491 1.00 0.00 C ATOM 269 CG LEU A 17 -7.222 5.270 -8.779 1.00 0.00 C ATOM 270 CD1 LEU A 17 -8.246 5.818 -9.786 1.00 0.00 C ATOM 271 CD2 LEU A 17 -5.827 5.276 -9.425 1.00 0.00 C ATOM 0 H LEU A 17 -7.564 4.574 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.259 5.503 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.235 5.962 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.221 7.172 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.459 4.241 -8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.215 5.221 -10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.245 5.767 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.005 6.854 -10.022 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.841 4.665 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.550 6.298 -9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.099 4.869 -8.723 1.00 0.00 H new ATOM 283 N ALA A 18 -6.682 7.425 -4.673 1.00 0.00 N ATOM 284 CA ALA A 18 -6.566 8.583 -3.777 1.00 0.00 C ATOM 285 C ALA A 18 -5.228 8.541 -3.002 1.00 0.00 C ATOM 286 O ALA A 18 -4.796 9.553 -2.448 1.00 0.00 O ATOM 287 CB ALA A 18 -7.754 8.619 -2.802 1.00 0.00 C ATOM 0 H ALA A 18 -7.500 6.853 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.581 9.491 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.658 9.482 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.684 8.695 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.764 7.706 -2.206 1.00 0.00 H new ATOM 293 N ARG A 19 -4.599 7.349 -2.961 1.00 0.00 N ATOM 294 CA ARG A 19 -3.294 7.069 -2.346 1.00 0.00 C ATOM 295 C ARG A 19 -3.408 7.023 -0.804 1.00 0.00 C ATOM 296 O ARG A 19 -2.403 7.125 -0.101 1.00 0.00 O ATOM 297 CB ARG A 19 -2.245 8.092 -2.830 1.00 0.00 C ATOM 298 CG ARG A 19 -2.079 9.309 -1.906 1.00 0.00 C ATOM 299 CD ARG A 19 -0.731 9.256 -1.172 1.00 0.00 C ATOM 300 NE ARG A 19 -0.391 10.557 -0.574 1.00 0.00 N ATOM 301 CZ ARG A 19 0.518 11.427 -1.053 1.00 0.00 C ATOM 302 NH1 ARG A 19 1.223 11.161 -2.165 1.00 0.00 N ATOM 303 NH2 ARG A 19 0.726 12.584 -0.409 1.00 0.00 N ATOM 0 H ARG A 19 -5.012 6.515 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.956 6.082 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.282 7.590 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.525 8.440 -3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.144 10.227 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.892 9.334 -1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.770 8.495 -0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.053 8.959 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.887 10.823 0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.075 10.285 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.906 11.835 -2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.198 12.799 0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.413 13.249 -0.764 1.00 0.00 H new ATOM 317 N ASP A 20 -4.647 6.850 -0.300 1.00 0.00 N ATOM 318 CA ASP A 20 -5.041 7.014 1.106 1.00 0.00 C ATOM 319 C ASP A 20 -4.331 5.970 2.004 1.00 0.00 C ATOM 320 O ASP A 20 -4.794 4.829 2.074 1.00 0.00 O ATOM 321 CB ASP A 20 -6.579 6.904 1.219 1.00 0.00 C ATOM 322 CG ASP A 20 -7.089 6.965 2.663 1.00 0.00 C ATOM 323 OD1 ASP A 20 -7.038 5.910 3.334 1.00 0.00 O ATOM 324 OD2 ASP A 20 -7.528 8.062 3.073 1.00 0.00 O ATOM 0 H ASP A 20 -5.432 6.580 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.732 7.999 1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.037 7.710 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.903 5.967 0.766 1.00 0.00 H new ATOM 329 N PRO A 21 -3.202 6.311 2.670 1.00 0.00 N ATOM 330 CA PRO A 21 -2.370 5.365 3.436 1.00 0.00 C ATOM 331 C PRO A 21 -3.114 4.756 4.648 1.00 0.00 C ATOM 332 O PRO A 21 -2.644 3.789 5.249 1.00 0.00 O ATOM 333 CB PRO A 21 -1.129 6.150 3.891 1.00 0.00 C ATOM 334 CG PRO A 21 -1.141 7.426 3.054 1.00 0.00 C ATOM 335 CD PRO A 21 -2.635 7.648 2.808 1.00 0.00 C ATOM 0 HA PRO A 21 -2.103 4.515 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.174 6.376 4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.217 5.577 3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.688 8.264 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.590 7.305 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.095 8.187 3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.802 8.242 1.909 1.00 0.00 H new ATOM 343 N ASN A 22 -4.266 5.350 5.015 1.00 0.00 N ATOM 344 CA ASN A 22 -4.967 5.188 6.299 1.00 0.00 C ATOM 345 C ASN A 22 -5.858 3.928 6.305 1.00 0.00 C ATOM 346 O ASN A 22 -6.489 3.618 7.323 1.00 0.00 O ATOM 347 CB ASN A 22 -5.821 6.447 6.574 1.00 0.00 C ATOM 348 CG ASN A 22 -6.725 6.327 7.807 1.00 0.00 C ATOM 349 OD1 ASN A 22 -6.268 6.476 8.939 1.00 0.00 O ATOM 350 ND2 ASN A 22 -8.014 6.050 7.591 1.00 0.00 N ATOM 0 H ASN A 22 -4.757 5.989 4.389 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.223 5.065 7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.158 7.303 6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.440 6.652 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.654 5.956 8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.358 5.933 6.638 1.00 0.00 H new ATOM 357 N ALA A 23 -5.902 3.177 5.187 1.00 0.00 N ATOM 358 CA ALA A 23 -6.581 1.878 5.061 1.00 0.00 C ATOM 359 C ALA A 23 -5.589 0.713 5.282 1.00 0.00 C ATOM 360 O ALA A 23 -5.882 -0.428 4.923 1.00 0.00 O ATOM 361 CB ALA A 23 -7.257 1.771 3.685 1.00 0.00 C ATOM 0 H ALA A 23 -5.451 3.470 4.320 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.348 1.809 5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.757 0.806 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.990 2.571 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.504 1.860 2.902 1.00 0.00 H new ATOM 367 N ASP A 24 -4.429 1.009 5.901 1.00 0.00 N ATOM 368 CA ASP A 24 -3.540 0.038 6.556 1.00 0.00 C ATOM 369 C ASP A 24 -4.341 -0.930 7.453 1.00 0.00 C ATOM 370 O ASP A 24 -4.894 -0.513 8.474 1.00 0.00 O ATOM 371 CB ASP A 24 -2.462 0.799 7.363 1.00 0.00 C ATOM 372 CG ASP A 24 -1.393 -0.109 7.982 1.00 0.00 C ATOM 373 OD1 ASP A 24 -1.773 -1.181 8.502 1.00 0.00 O ATOM 374 OD2 ASP A 24 -0.206 0.288 7.932 1.00 0.00 O ATOM 0 H ASP A 24 -4.076 1.964 5.959 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.047 -0.569 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.976 1.522 6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.949 1.365 8.158 1.00 0.00 H new ATOM 379 N GLY A 25 -4.399 -2.223 7.079 1.00 0.00 N ATOM 380 CA GLY A 25 -5.064 -3.299 7.826 1.00 0.00 C ATOM 381 C GLY A 25 -6.552 -3.440 7.443 1.00 0.00 C ATOM 382 O GLY A 25 -7.168 -4.473 7.713 1.00 0.00 O ATOM 0 H GLY A 25 -3.967 -2.555 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.551 -4.242 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.983 -3.101 8.895 1.00 0.00 H new ATOM 386 N GLU A 26 -7.131 -2.391 6.829 1.00 0.00 N ATOM 387 CA GLU A 26 -8.475 -2.380 6.230 1.00 0.00 C ATOM 388 C GLU A 26 -8.518 -3.286 4.980 1.00 0.00 C ATOM 389 O GLU A 26 -9.545 -3.895 4.681 1.00 0.00 O ATOM 390 CB GLU A 26 -8.885 -0.932 5.888 1.00 0.00 C ATOM 391 CG GLU A 26 -9.819 -0.312 6.946 1.00 0.00 C ATOM 392 CD GLU A 26 -9.346 1.044 7.484 1.00 0.00 C ATOM 393 OE1 GLU A 26 -9.601 2.043 6.776 1.00 0.00 O ATOM 394 OE2 GLU A 26 -8.742 1.071 8.580 1.00 0.00 O ATOM 0 H GLU A 26 -6.655 -1.494 6.734 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.190 -2.777 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.989 -0.318 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.382 -0.919 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.812 -0.192 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.917 -1.007 7.780 1.00 0.00 H new ATOM 401 N PHE A 27 -7.379 -3.379 4.257 1.00 0.00 N ATOM 402 CA PHE A 27 -7.145 -4.351 3.180 1.00 0.00 C ATOM 403 C PHE A 27 -5.688 -4.300 2.662 1.00 0.00 C ATOM 404 O PHE A 27 -4.867 -3.515 3.136 1.00 0.00 O ATOM 405 CB PHE A 27 -8.113 -4.091 2.005 1.00 0.00 C ATOM 406 CG PHE A 27 -8.196 -2.656 1.497 1.00 0.00 C ATOM 407 CD1 PHE A 27 -7.439 -1.622 2.094 1.00 0.00 C ATOM 408 CD2 PHE A 27 -9.024 -2.356 0.386 1.00 0.00 C ATOM 409 CE1 PHE A 27 -7.428 -0.329 1.529 1.00 0.00 C ATOM 410 CE2 PHE A 27 -9.014 -1.061 -0.178 1.00 0.00 C ATOM 411 CZ PHE A 27 -8.222 -0.045 0.396 1.00 0.00 C ATOM 0 H PHE A 27 -6.582 -2.763 4.415 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.324 -5.342 3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.819 -4.731 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.112 -4.403 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.866 -1.823 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.664 -3.120 -0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.812 0.444 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.614 -0.848 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.223 0.948 -0.030 1.00 0.00 H new ATOM 421 N VAL A 28 -5.390 -5.137 1.645 1.00 0.00 N ATOM 422 CA VAL A 28 -4.256 -5.023 0.716 1.00 0.00 C ATOM 423 C VAL A 28 -4.786 -4.979 -0.734 1.00 0.00 C ATOM 424 O VAL A 28 -5.987 -5.165 -0.957 1.00 0.00 O ATOM 425 CB VAL A 28 -3.246 -6.188 0.909 1.00 0.00 C ATOM 426 CG1 VAL A 28 -2.928 -6.422 2.400 1.00 0.00 C ATOM 427 CG2 VAL A 28 -3.735 -7.516 0.301 1.00 0.00 C ATOM 0 H VAL A 28 -5.968 -5.953 1.443 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.719 -4.099 0.928 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.346 -5.876 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.219 -7.244 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.495 -5.517 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.846 -6.671 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.986 -8.290 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.672 -7.809 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.893 -7.389 -0.770 1.00 0.00 H new ATOM 437 N PHE A 29 -3.907 -4.724 -1.727 1.00 0.00 N ATOM 438 CA PHE A 29 -4.180 -4.924 -3.160 1.00 0.00 C ATOM 439 C PHE A 29 -2.997 -5.625 -3.865 1.00 0.00 C ATOM 440 O PHE A 29 -1.848 -5.503 -3.439 1.00 0.00 O ATOM 441 CB PHE A 29 -4.483 -3.578 -3.850 1.00 0.00 C ATOM 442 CG PHE A 29 -3.273 -2.706 -4.153 1.00 0.00 C ATOM 443 CD1 PHE A 29 -2.514 -2.930 -5.325 1.00 0.00 C ATOM 444 CD2 PHE A 29 -2.917 -1.647 -3.284 1.00 0.00 C ATOM 445 CE1 PHE A 29 -1.477 -2.040 -5.678 1.00 0.00 C ATOM 446 CE2 PHE A 29 -1.882 -0.757 -3.639 1.00 0.00 C ATOM 447 CZ PHE A 29 -1.174 -0.942 -4.846 1.00 0.00 C ATOM 0 H PHE A 29 -2.969 -4.366 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.056 -5.568 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.006 -3.779 -4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.167 -3.012 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.728 -3.784 -5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.439 -1.520 -2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.915 -2.200 -6.586 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.631 0.067 -2.987 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.401 -0.244 -5.132 1.00 0.00 H new ATOM 457 N ALA A 30 -3.299 -6.383 -4.940 1.00 0.00 N ATOM 458 CA ALA A 30 -2.439 -7.400 -5.560 1.00 0.00 C ATOM 459 C ALA A 30 -2.418 -7.255 -7.097 1.00 0.00 C ATOM 460 O ALA A 30 -3.438 -7.499 -7.750 1.00 0.00 O ATOM 461 CB ALA A 30 -2.919 -8.808 -5.164 1.00 0.00 C ATOM 0 H ALA A 30 -4.195 -6.294 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.422 -7.252 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.276 -9.556 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.877 -8.915 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.945 -8.951 -5.503 1.00 0.00 H new ATOM 467 N VAL A 31 -1.263 -6.885 -7.682 1.00 0.00 N ATOM 468 CA VAL A 31 -1.067 -6.727 -9.133 1.00 0.00 C ATOM 469 C VAL A 31 -0.507 -8.034 -9.733 1.00 0.00 C ATOM 470 O VAL A 31 0.702 -8.267 -9.694 1.00 0.00 O ATOM 471 CB VAL A 31 -0.131 -5.524 -9.421 1.00 0.00 C ATOM 472 CG1 VAL A 31 0.182 -5.383 -10.923 1.00 0.00 C ATOM 473 CG2 VAL A 31 -0.724 -4.188 -8.938 1.00 0.00 C ATOM 0 H VAL A 31 -0.420 -6.683 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.027 -6.521 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 31 0.783 -5.738 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.840 -4.528 -11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.673 -6.289 -11.279 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.745 -5.232 -11.475 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.029 -3.379 -9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.671 -4.006 -9.446 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.892 -4.232 -7.862 1.00 0.00 H new ATOM 483 N ARG A 32 -1.395 -8.892 -10.273 1.00 0.00 N ATOM 484 CA ARG A 32 -1.112 -10.275 -10.682 1.00 0.00 C ATOM 485 C ARG A 32 0.101 -10.339 -11.636 1.00 0.00 C ATOM 486 O ARG A 32 0.725 -11.394 -11.775 1.00 0.00 O ATOM 487 CB ARG A 32 -2.372 -10.880 -11.334 1.00 0.00 C ATOM 488 CG ARG A 32 -2.618 -10.362 -12.760 1.00 0.00 C ATOM 489 CD ARG A 32 -3.476 -11.340 -13.577 1.00 0.00 C ATOM 490 NE ARG A 32 -3.820 -10.771 -14.890 1.00 0.00 N ATOM 491 CZ ARG A 32 -4.927 -11.047 -15.604 1.00 0.00 C ATOM 492 NH1 ARG A 32 -5.863 -11.893 -15.145 1.00 0.00 N ATOM 493 NH2 ARG A 32 -5.101 -10.465 -16.799 1.00 0.00 N ATOM 0 H ARG A 32 -2.365 -8.627 -10.441 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.853 -10.862 -9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.276 -11.965 -11.359 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.240 -10.651 -10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.114 -9.392 -12.715 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.663 -10.209 -13.262 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.936 -12.277 -13.713 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.388 -11.575 -13.028 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.160 -10.108 -15.295 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.743 -12.342 -14.237 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.694 -12.087 -15.704 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.398 -9.820 -17.159 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.936 -10.667 -17.348 1.00 0.00 H new ATOM 507 N THR A 33 0.434 -9.213 -12.297 1.00 0.00 N ATOM 508 CA THR A 33 1.424 -9.112 -13.380 1.00 0.00 C ATOM 509 C THR A 33 2.861 -9.141 -12.816 1.00 0.00 C ATOM 510 O THR A 33 3.751 -9.745 -13.423 1.00 0.00 O ATOM 511 CB THR A 33 1.170 -7.828 -14.207 1.00 0.00 C ATOM 512 OG1 THR A 33 1.877 -7.883 -15.432 1.00 0.00 O ATOM 513 CG2 THR A 33 1.593 -6.544 -13.473 1.00 0.00 C ATOM 0 H THR A 33 0.002 -8.315 -12.080 1.00 0.00 H new ATOM 0 HA THR A 33 1.315 -9.973 -14.039 1.00 0.00 H new ATOM 0 HB THR A 33 0.094 -7.790 -14.374 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.706 -7.066 -15.945 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.389 -5.680 -14.105 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.031 -6.454 -12.543 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.659 -6.587 -13.250 1.00 0.00 H new ATOM 521 N THR A 34 3.090 -8.502 -11.653 1.00 0.00 N ATOM 522 CA THR A 34 4.329 -8.577 -10.864 1.00 0.00 C ATOM 523 C THR A 34 4.181 -9.558 -9.680 1.00 0.00 C ATOM 524 O THR A 34 5.158 -9.828 -8.976 1.00 0.00 O ATOM 525 CB THR A 34 4.725 -7.163 -10.370 1.00 0.00 C ATOM 526 OG1 THR A 34 6.064 -7.160 -9.912 1.00 0.00 O ATOM 527 CG2 THR A 34 3.832 -6.653 -9.225 1.00 0.00 C ATOM 0 H THR A 34 2.390 -7.898 -11.223 1.00 0.00 H new ATOM 0 HA THR A 34 5.124 -8.960 -11.504 1.00 0.00 H new ATOM 0 HB THR A 34 4.599 -6.501 -11.226 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.354 -6.237 -9.755 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.160 -5.658 -8.923 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.797 -6.607 -9.564 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.906 -7.332 -8.376 1.00 0.00 H new ATOM 535 N GLY A 35 2.969 -10.099 -9.476 1.00 0.00 N ATOM 536 CA GLY A 35 2.592 -11.016 -8.358 1.00 0.00 C ATOM 537 C GLY A 35 3.169 -10.460 -7.040 1.00 0.00 C ATOM 538 O GLY A 35 3.588 -11.196 -6.149 1.00 0.00 O ATOM 0 H GLY A 35 2.186 -9.910 -10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.507 -11.100 -8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.978 -12.018 -8.546 1.00 0.00 H new ATOM 542 N ILE A 36 3.196 -9.100 -6.953 1.00 0.00 N ATOM 543 CA ILE A 36 3.453 -8.323 -5.735 1.00 0.00 C ATOM 544 C ILE A 36 2.116 -7.874 -5.103 1.00 0.00 C ATOM 545 O ILE A 36 1.085 -7.845 -5.777 1.00 0.00 O ATOM 546 CB ILE A 36 4.355 -7.098 -6.052 1.00 0.00 C ATOM 547 CG1 ILE A 36 5.683 -7.492 -6.743 1.00 0.00 C ATOM 548 CG2 ILE A 36 4.658 -6.297 -4.768 1.00 0.00 C ATOM 549 CD1 ILE A 36 6.624 -6.305 -6.998 1.00 0.00 C ATOM 0 H ILE A 36 3.032 -8.506 -7.766 1.00 0.00 H new ATOM 0 HA ILE A 36 3.980 -8.953 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 36 3.794 -6.477 -6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.199 -8.227 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.458 -7.976 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.291 -5.444 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.724 -5.943 -4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.173 -6.938 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.533 -6.659 -7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.127 -5.579 -7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.880 -5.834 -6.049 1.00 0.00 H new ATOM 561 N PHE A 37 2.150 -7.500 -3.807 1.00 0.00 N ATOM 562 CA PHE A 37 1.035 -6.889 -3.069 1.00 0.00 C ATOM 563 C PHE A 37 1.516 -5.706 -2.196 1.00 0.00 C ATOM 564 O PHE A 37 2.650 -5.696 -1.715 1.00 0.00 O ATOM 565 CB PHE A 37 0.332 -7.946 -2.193 1.00 0.00 C ATOM 566 CG PHE A 37 1.176 -8.579 -1.095 1.00 0.00 C ATOM 567 CD1 PHE A 37 2.573 -8.731 -1.245 1.00 0.00 C ATOM 568 CD2 PHE A 37 0.553 -9.023 0.098 1.00 0.00 C ATOM 569 CE1 PHE A 37 3.343 -9.298 -0.206 1.00 0.00 C ATOM 570 CE2 PHE A 37 1.322 -9.594 1.132 1.00 0.00 C ATOM 571 CZ PHE A 37 2.722 -9.701 0.994 1.00 0.00 C ATOM 0 H PHE A 37 2.983 -7.621 -3.231 1.00 0.00 H new ATOM 0 HA PHE A 37 0.325 -6.500 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.540 -7.483 -1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.036 -8.740 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.054 -8.412 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.516 -8.923 0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.408 -9.423 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.839 -9.950 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.317 -10.091 1.806 1.00 0.00 H new ATOM 581 N CYS A 38 0.641 -4.697 -2.010 1.00 0.00 N ATOM 582 CA CYS A 38 0.876 -3.425 -1.316 1.00 0.00 C ATOM 583 C CYS A 38 -0.217 -3.140 -0.257 1.00 0.00 C ATOM 584 O CYS A 38 -1.183 -3.891 -0.124 1.00 0.00 O ATOM 585 CB CYS A 38 0.915 -2.274 -2.352 1.00 0.00 C ATOM 586 SG CYS A 38 2.102 -2.550 -3.699 1.00 0.00 S ATOM 0 H CYS A 38 -0.312 -4.759 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 38 1.831 -3.494 -0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.080 -2.144 -2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.167 -1.345 -1.841 1.00 0.00 H new ATOM 0 HG CYS A 38 2.386 -1.415 -4.266 1.00 0.00 H new ATOM 591 N ARG A 39 -0.070 -2.006 0.454 1.00 0.00 N ATOM 592 CA ARG A 39 -1.130 -1.262 1.148 1.00 0.00 C ATOM 593 C ARG A 39 -1.696 -0.178 0.190 1.00 0.00 C ATOM 594 O ARG A 39 -0.975 0.202 -0.749 1.00 0.00 O ATOM 595 CB ARG A 39 -0.546 -0.615 2.426 1.00 0.00 C ATOM 596 CG ARG A 39 -1.433 -0.820 3.661 1.00 0.00 C ATOM 597 CD ARG A 39 -0.811 -0.333 4.970 1.00 0.00 C ATOM 598 NE ARG A 39 0.656 -0.329 4.861 1.00 0.00 N ATOM 599 CZ ARG A 39 1.431 0.724 4.548 1.00 0.00 C ATOM 600 NH1 ARG A 39 0.900 1.929 4.287 1.00 0.00 N ATOM 601 NH2 ARG A 39 2.761 0.560 4.498 1.00 0.00 N ATOM 0 H ARG A 39 0.842 -1.563 0.564 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.939 -1.933 1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.441 -1.035 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.410 0.453 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.378 -0.299 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.665 -1.881 3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.169 0.670 5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.121 -0.979 5.792 1.00 0.00 H new ATOM 0 HE ARG A 39 1.132 -1.213 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.111 2.060 4.324 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.507 2.714 4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.170 -0.353 4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.364 1.348 4.262 1.00 0.00 H new ATOM 615 N PRO A 40 -2.948 0.311 0.331 1.00 0.00 N ATOM 616 CA PRO A 40 -3.654 1.105 -0.692 1.00 0.00 C ATOM 617 C PRO A 40 -2.854 2.290 -1.278 1.00 0.00 C ATOM 618 O PRO A 40 -3.175 2.783 -2.360 1.00 0.00 O ATOM 619 CB PRO A 40 -4.959 1.585 -0.025 1.00 0.00 C ATOM 620 CG PRO A 40 -4.729 1.371 1.469 1.00 0.00 C ATOM 621 CD PRO A 40 -3.823 0.139 1.483 1.00 0.00 C ATOM 0 HA PRO A 40 -3.829 0.475 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.157 2.633 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.818 1.016 -0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.251 2.233 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.663 1.196 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.251 0.078 2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.403 -0.780 1.406 1.00 0.00 H new ATOM 629 N SER A 41 -1.829 2.761 -0.543 1.00 0.00 N ATOM 630 CA SER A 41 -1.187 4.078 -0.678 1.00 0.00 C ATOM 631 C SER A 41 -0.107 4.102 -1.781 1.00 0.00 C ATOM 632 O SER A 41 0.641 5.085 -1.886 1.00 0.00 O ATOM 633 CB SER A 41 -0.607 4.500 0.691 1.00 0.00 C ATOM 634 OG SER A 41 0.804 4.575 0.694 1.00 0.00 O ATOM 0 H SER A 41 -1.406 2.203 0.199 1.00 0.00 H new ATOM 0 HA SER A 41 -1.944 4.797 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.017 5.471 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.929 3.788 1.451 1.00 0.00 H new ATOM 0 HG SER A 41 1.106 5.085 -0.087 1.00 0.00 H new ATOM 640 N CYS A 42 0.017 3.034 -2.600 1.00 0.00 N ATOM 641 CA CYS A 42 1.219 2.748 -3.406 1.00 0.00 C ATOM 642 C CYS A 42 1.615 3.978 -4.253 1.00 0.00 C ATOM 643 O CYS A 42 0.900 4.353 -5.183 1.00 0.00 O ATOM 644 CB CYS A 42 0.989 1.498 -4.281 1.00 0.00 C ATOM 645 SG CYS A 42 2.548 0.767 -4.897 1.00 0.00 S ATOM 0 H CYS A 42 -0.723 2.342 -2.719 1.00 0.00 H new ATOM 0 HA CYS A 42 2.052 2.536 -2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.446 0.750 -3.703 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.358 1.765 -5.129 1.00 0.00 H new ATOM 0 HG CYS A 42 3.260 0.353 -3.891 1.00 0.00 H new ATOM 650 N ARG A 43 2.753 4.615 -3.912 1.00 0.00 N ATOM 651 CA ARG A 43 3.174 5.942 -4.384 1.00 0.00 C ATOM 652 C ARG A 43 3.512 5.914 -5.890 1.00 0.00 C ATOM 653 O ARG A 43 3.216 6.868 -6.611 1.00 0.00 O ATOM 654 CB ARG A 43 4.374 6.429 -3.544 1.00 0.00 C ATOM 655 CG ARG A 43 5.703 6.373 -4.317 1.00 0.00 C ATOM 656 CD ARG A 43 6.915 6.541 -3.390 1.00 0.00 C ATOM 657 NE ARG A 43 7.712 7.718 -3.773 1.00 0.00 N ATOM 658 CZ ARG A 43 7.840 8.851 -3.058 1.00 0.00 C ATOM 659 NH1 ARG A 43 7.202 9.015 -1.888 1.00 0.00 N ATOM 660 NH2 ARG A 43 8.619 9.838 -3.523 1.00 0.00 N ATOM 0 H ARG A 43 3.430 4.198 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 43 2.350 6.644 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.192 7.453 -3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.455 5.817 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.777 5.421 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.715 7.156 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.577 6.646 -2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.537 5.647 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 43 8.212 7.671 -4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.605 8.272 -1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.314 9.882 -1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.108 9.726 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.723 10.701 -2.989 1.00 0.00 H new ATOM 674 N ALA A 44 4.149 4.822 -6.357 1.00 0.00 N ATOM 675 CA ALA A 44 4.394 4.516 -7.773 1.00 0.00 C ATOM 676 C ALA A 44 3.113 4.704 -8.614 1.00 0.00 C ATOM 677 O ALA A 44 2.018 4.369 -8.160 1.00 0.00 O ATOM 678 CB ALA A 44 4.926 3.080 -7.911 1.00 0.00 C ATOM 0 H ALA A 44 4.519 4.105 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 44 5.143 5.211 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.106 2.858 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.858 2.982 -7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.191 2.380 -7.513 1.00 0.00 H new ATOM 684 N ARG A 45 3.252 5.257 -9.835 1.00 0.00 N ATOM 685 CA ARG A 45 2.206 5.322 -10.866 1.00 0.00 C ATOM 686 C ARG A 45 1.478 3.968 -11.001 1.00 0.00 C ATOM 687 O ARG A 45 1.960 3.069 -11.693 1.00 0.00 O ATOM 688 CB ARG A 45 2.834 5.767 -12.204 1.00 0.00 C ATOM 689 CG ARG A 45 2.926 7.296 -12.336 1.00 0.00 C ATOM 690 CD ARG A 45 4.249 7.737 -12.978 1.00 0.00 C ATOM 691 NE ARG A 45 4.104 7.879 -14.435 1.00 0.00 N ATOM 692 CZ ARG A 45 3.304 8.759 -15.067 1.00 0.00 C ATOM 693 NH1 ARG A 45 2.569 9.650 -14.384 1.00 0.00 N ATOM 694 NH2 ARG A 45 3.239 8.745 -16.406 1.00 0.00 N ATOM 0 H ARG A 45 4.127 5.685 -10.138 1.00 0.00 H new ATOM 0 HA ARG A 45 1.456 6.057 -10.573 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.832 5.338 -12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.242 5.370 -13.029 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.092 7.659 -12.937 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.831 7.752 -11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.569 8.685 -12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.027 7.007 -12.755 1.00 0.00 H new ATOM 0 HE ARG A 45 4.660 7.254 -15.019 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.609 9.670 -13.365 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.970 10.307 -14.884 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.792 8.072 -16.936 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.636 9.407 -16.894 1.00 0.00 H new ATOM 708 N HIS A 46 0.325 3.821 -10.319 1.00 0.00 N ATOM 709 CA HIS A 46 -0.345 2.541 -10.048 1.00 0.00 C ATOM 710 C HIS A 46 -0.445 1.678 -11.327 1.00 0.00 C ATOM 711 O HIS A 46 -0.575 2.216 -12.428 1.00 0.00 O ATOM 712 CB HIS A 46 -1.742 2.772 -9.422 1.00 0.00 C ATOM 713 CG HIS A 46 -1.804 3.910 -8.433 1.00 0.00 C ATOM 714 ND1 HIS A 46 -2.880 4.801 -8.420 1.00 0.00 N ATOM 715 CD2 HIS A 46 -0.926 4.261 -7.442 1.00 0.00 C ATOM 716 CE1 HIS A 46 -2.612 5.644 -7.418 1.00 0.00 C ATOM 717 NE2 HIS A 46 -1.453 5.363 -6.801 1.00 0.00 N ATOM 0 H HIS A 46 -0.179 4.618 -9.930 1.00 0.00 H new ATOM 0 HA HIS A 46 0.262 1.993 -9.327 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.457 2.963 -10.222 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.059 1.856 -8.923 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.005 3.767 -7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.258 6.462 -7.135 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.043 5.865 -6.014 1.00 0.00 H new ATOM 725 N ALA A 47 -0.417 0.342 -11.168 1.00 0.00 N ATOM 726 CA ALA A 47 -0.884 -0.643 -12.155 1.00 0.00 C ATOM 727 C ALA A 47 -2.417 -0.821 -12.065 1.00 0.00 C ATOM 728 O ALA A 47 -2.948 -1.007 -10.967 1.00 0.00 O ATOM 729 CB ALA A 47 -0.166 -1.985 -11.940 1.00 0.00 C ATOM 0 H ALA A 47 -0.056 -0.094 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.646 -0.277 -13.154 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.518 -2.708 -12.676 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.909 -1.845 -12.055 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.379 -2.355 -10.937 1.00 0.00 H new ATOM 735 N LEU A 48 -3.121 -0.732 -13.209 1.00 0.00 N ATOM 736 CA LEU A 48 -4.572 -0.512 -13.303 1.00 0.00 C ATOM 737 C LEU A 48 -5.335 -1.465 -12.357 1.00 0.00 C ATOM 738 O LEU A 48 -4.849 -2.551 -12.041 1.00 0.00 O ATOM 739 CB LEU A 48 -5.044 -0.723 -14.757 1.00 0.00 C ATOM 740 CG LEU A 48 -4.744 0.439 -15.729 1.00 0.00 C ATOM 741 CD1 LEU A 48 -5.717 0.370 -16.917 1.00 0.00 C ATOM 742 CD2 LEU A 48 -4.876 1.813 -15.051 1.00 0.00 C ATOM 0 H LEU A 48 -2.677 -0.814 -14.124 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.784 0.514 -13.001 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.576 -1.628 -15.145 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.120 -0.899 -14.749 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.713 0.330 -16.065 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.509 1.189 -17.606 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.592 -0.581 -17.435 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.741 0.453 -16.554 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.656 2.598 -15.774 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.892 1.938 -14.678 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.174 1.878 -14.220 1.00 0.00 H new ATOM 754 N ARG A 49 -6.532 -1.041 -11.901 1.00 0.00 N ATOM 755 CA ARG A 49 -7.553 -1.866 -11.240 1.00 0.00 C ATOM 756 C ARG A 49 -7.796 -3.186 -12.006 1.00 0.00 C ATOM 757 O ARG A 49 -8.215 -4.187 -11.425 1.00 0.00 O ATOM 758 CB ARG A 49 -8.860 -1.053 -11.114 1.00 0.00 C ATOM 759 CG ARG A 49 -9.971 -1.820 -10.380 1.00 0.00 C ATOM 760 CD ARG A 49 -9.446 -2.491 -9.104 1.00 0.00 C ATOM 761 NE ARG A 49 -10.550 -3.063 -8.318 1.00 0.00 N ATOM 762 CZ ARG A 49 -10.999 -4.330 -8.392 1.00 0.00 C ATOM 763 NH1 ARG A 49 -10.555 -5.178 -9.332 1.00 0.00 N ATOM 764 NH2 ARG A 49 -11.909 -4.755 -7.503 1.00 0.00 N ATOM 0 H ARG A 49 -6.822 -0.067 -11.990 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.197 -2.135 -10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.654 -0.124 -10.583 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.210 -0.780 -12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.780 -1.135 -10.125 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.391 -2.576 -11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.737 -3.276 -9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.905 -1.762 -8.501 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.018 -2.443 -7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.861 -4.868 -10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.911 -6.133 -9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.253 -4.121 -6.782 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.257 -5.713 -7.548 1.00 0.00 H new ATOM 778 N GLU A 50 -7.551 -3.161 -13.338 1.00 0.00 N ATOM 779 CA GLU A 50 -7.869 -4.226 -14.290 1.00 0.00 C ATOM 780 C GLU A 50 -7.038 -5.494 -14.025 1.00 0.00 C ATOM 781 O GLU A 50 -7.455 -6.606 -14.349 1.00 0.00 O ATOM 782 CB GLU A 50 -7.627 -3.709 -15.720 1.00 0.00 C ATOM 783 CG GLU A 50 -8.100 -4.717 -16.775 1.00 0.00 C ATOM 784 CD GLU A 50 -9.618 -4.727 -17.005 1.00 0.00 C ATOM 785 OE1 GLU A 50 -10.369 -4.595 -16.013 1.00 0.00 O ATOM 786 OE2 GLU A 50 -10.001 -4.870 -18.188 1.00 0.00 O ATOM 0 H GLU A 50 -7.107 -2.360 -13.787 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.917 -4.501 -14.169 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.152 -2.764 -15.859 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.565 -3.508 -15.859 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.603 -4.496 -17.720 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.784 -5.716 -16.474 1.00 0.00 H new ATOM 793 N ASN A 51 -5.848 -5.317 -13.407 1.00 0.00 N ATOM 794 CA ASN A 51 -4.919 -6.366 -12.966 1.00 0.00 C ATOM 795 C ASN A 51 -4.873 -6.469 -11.424 1.00 0.00 C ATOM 796 O ASN A 51 -4.276 -7.410 -10.890 1.00 0.00 O ATOM 797 CB ASN A 51 -3.506 -6.073 -13.513 1.00 0.00 C ATOM 798 CG ASN A 51 -3.443 -5.969 -15.046 1.00 0.00 C ATOM 799 OD1 ASN A 51 -3.600 -6.956 -15.760 1.00 0.00 O ATOM 800 ND2 ASN A 51 -3.195 -4.751 -15.546 1.00 0.00 N ATOM 0 H ASN A 51 -5.497 -4.383 -13.194 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.275 -7.319 -13.356 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.145 -5.140 -13.080 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.828 -6.861 -13.183 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.130 -4.617 -16.555 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.071 -3.957 -14.918 1.00 0.00 H new ATOM 807 N VAL A 52 -5.480 -5.503 -10.709 1.00 0.00 N ATOM 808 CA VAL A 52 -5.368 -5.291 -9.256 1.00 0.00 C ATOM 809 C VAL A 52 -6.612 -5.851 -8.534 1.00 0.00 C ATOM 810 O VAL A 52 -7.742 -5.595 -8.963 1.00 0.00 O ATOM 811 CB VAL A 52 -5.178 -3.780 -8.958 1.00 0.00 C ATOM 812 CG1 VAL A 52 -6.234 -3.250 -7.970 1.00 0.00 C ATOM 813 CG2 VAL A 52 -3.789 -3.463 -8.376 1.00 0.00 C ATOM 0 H VAL A 52 -6.091 -4.817 -11.152 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.496 -5.827 -8.881 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.288 -3.286 -9.923 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.063 -2.189 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.229 -3.391 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.158 -3.795 -7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.710 -2.393 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.653 -4.008 -7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.019 -3.763 -9.087 1.00 0.00 H new ATOM 823 N SER A 53 -6.416 -6.627 -7.450 1.00 0.00 N ATOM 824 CA SER A 53 -7.475 -7.176 -6.591 1.00 0.00 C ATOM 825 C SER A 53 -7.097 -7.126 -5.092 1.00 0.00 C ATOM 826 O SER A 53 -5.919 -7.039 -4.747 1.00 0.00 O ATOM 827 CB SER A 53 -7.796 -8.621 -7.018 1.00 0.00 C ATOM 828 OG SER A 53 -7.030 -9.558 -6.285 1.00 0.00 O ATOM 0 H SER A 53 -5.482 -6.896 -7.141 1.00 0.00 H new ATOM 0 HA SER A 53 -8.361 -6.553 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.857 -8.819 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.597 -8.740 -8.083 1.00 0.00 H new ATOM 0 HG SER A 53 -7.257 -10.466 -6.577 1.00 0.00 H new ATOM 834 N PHE A 54 -8.125 -7.162 -4.215 1.00 0.00 N ATOM 835 CA PHE A 54 -8.069 -6.745 -2.807 1.00 0.00 C ATOM 836 C PHE A 54 -8.277 -7.926 -1.827 1.00 0.00 C ATOM 837 O PHE A 54 -9.110 -8.806 -2.045 1.00 0.00 O ATOM 838 CB PHE A 54 -9.134 -5.660 -2.542 1.00 0.00 C ATOM 839 CG PHE A 54 -9.119 -4.493 -3.520 1.00 0.00 C ATOM 840 CD1 PHE A 54 -9.315 -4.724 -4.903 1.00 0.00 C ATOM 841 CD2 PHE A 54 -8.879 -3.179 -3.059 1.00 0.00 C ATOM 842 CE1 PHE A 54 -9.187 -3.662 -5.824 1.00 0.00 C ATOM 843 CE2 PHE A 54 -8.790 -2.111 -3.978 1.00 0.00 C ATOM 844 CZ PHE A 54 -8.932 -2.355 -5.360 1.00 0.00 C ATOM 0 H PHE A 54 -9.050 -7.496 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.070 -6.347 -2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.120 -6.125 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.992 -5.272 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.563 -5.715 -5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.763 -2.991 -2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.284 -3.850 -6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.613 -1.107 -3.623 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.845 -1.540 -6.063 1.00 0.00 H new ATOM 854 N TYR A 55 -7.494 -7.932 -0.732 1.00 0.00 N ATOM 855 CA TYR A 55 -7.515 -8.850 0.413 1.00 0.00 C ATOM 856 C TYR A 55 -7.881 -8.123 1.728 1.00 0.00 C ATOM 857 O TYR A 55 -8.093 -6.912 1.757 1.00 0.00 O ATOM 858 CB TYR A 55 -6.120 -9.502 0.565 1.00 0.00 C ATOM 859 CG TYR A 55 -5.515 -9.985 -0.747 1.00 0.00 C ATOM 860 CD1 TYR A 55 -5.058 -9.060 -1.710 1.00 0.00 C ATOM 861 CD2 TYR A 55 -5.444 -11.373 -1.022 1.00 0.00 C ATOM 862 CE1 TYR A 55 -4.607 -9.512 -2.968 1.00 0.00 C ATOM 863 CE2 TYR A 55 -4.996 -11.823 -2.280 1.00 0.00 C ATOM 864 CZ TYR A 55 -4.592 -10.892 -3.262 1.00 0.00 C ATOM 865 OH TYR A 55 -4.182 -11.321 -4.492 1.00 0.00 O ATOM 0 H TYR A 55 -6.765 -7.228 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.277 -9.606 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.442 -8.782 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.198 -10.346 1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.054 -8.004 -1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.734 -12.088 -0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.272 -8.800 -3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.962 -12.881 -2.493 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.231 -12.299 -4.530 1.00 0.00 H new ATOM 875 N ALA A 56 -7.927 -8.907 2.833 1.00 0.00 N ATOM 876 CA ALA A 56 -7.962 -8.422 4.218 1.00 0.00 C ATOM 877 C ALA A 56 -6.564 -7.987 4.709 1.00 0.00 C ATOM 878 O ALA A 56 -6.448 -6.987 5.428 1.00 0.00 O ATOM 879 CB ALA A 56 -8.536 -9.516 5.134 1.00 0.00 C ATOM 0 H ALA A 56 -7.941 -9.925 2.773 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.605 -7.543 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.561 -9.154 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.547 -9.766 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.907 -10.405 5.078 1.00 0.00 H new ATOM 885 N ASN A 57 -5.499 -8.734 4.350 1.00 0.00 N ATOM 886 CA ASN A 57 -4.103 -8.417 4.692 1.00 0.00 C ATOM 887 C ASN A 57 -3.105 -9.184 3.793 1.00 0.00 C ATOM 888 O ASN A 57 -3.506 -9.920 2.892 1.00 0.00 O ATOM 889 CB ASN A 57 -3.835 -8.752 6.176 1.00 0.00 C ATOM 890 CG ASN A 57 -3.829 -10.253 6.491 1.00 0.00 C ATOM 891 OD1 ASN A 57 -3.916 -11.098 5.603 1.00 0.00 O ATOM 892 ND2 ASN A 57 -3.715 -10.596 7.781 1.00 0.00 N ATOM 0 H ASN A 57 -5.591 -9.590 3.804 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.954 -7.351 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.873 -8.328 6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.594 -8.267 6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.699 -11.580 8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.645 -9.873 8.497 1.00 0.00 H new ATOM 899 N ALA A 58 -1.795 -8.993 4.062 1.00 0.00 N ATOM 900 CA ALA A 58 -0.663 -9.518 3.289 1.00 0.00 C ATOM 901 C ALA A 58 -0.608 -11.060 3.336 1.00 0.00 C ATOM 902 O ALA A 58 0.003 -11.682 2.461 1.00 0.00 O ATOM 903 CB ALA A 58 0.649 -8.918 3.825 1.00 0.00 C ATOM 0 H ALA A 58 -1.490 -8.441 4.864 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.798 -9.229 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.489 -9.308 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.618 -7.833 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.770 -9.188 4.874 1.00 0.00 H new ATOM 909 N SER A 59 -1.223 -11.678 4.362 1.00 0.00 N ATOM 910 CA SER A 59 -1.240 -13.132 4.595 1.00 0.00 C ATOM 911 C SER A 59 -2.172 -13.870 3.611 1.00 0.00 C ATOM 912 O SER A 59 -1.872 -14.991 3.195 1.00 0.00 O ATOM 913 CB SER A 59 -1.631 -13.429 6.056 1.00 0.00 C ATOM 914 OG SER A 59 -1.028 -12.520 6.956 1.00 0.00 O ATOM 0 H SER A 59 -1.738 -11.161 5.074 1.00 0.00 H new ATOM 0 HA SER A 59 -0.233 -13.509 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.715 -13.378 6.160 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.334 -14.446 6.312 1.00 0.00 H new ATOM 0 HG SER A 59 -1.300 -12.738 7.872 1.00 0.00 H new ATOM 920 N GLU A 60 -3.303 -13.240 3.247 1.00 0.00 N ATOM 921 CA GLU A 60 -4.215 -13.674 2.173 1.00 0.00 C ATOM 922 C GLU A 60 -3.489 -13.607 0.812 1.00 0.00 C ATOM 923 O GLU A 60 -3.560 -14.517 -0.012 1.00 0.00 O ATOM 924 CB GLU A 60 -5.488 -12.801 2.174 1.00 0.00 C ATOM 925 CG GLU A 60 -6.776 -13.627 2.003 1.00 0.00 C ATOM 926 CD GLU A 60 -7.048 -14.609 3.150 1.00 0.00 C ATOM 927 OE1 GLU A 60 -6.754 -14.259 4.315 1.00 0.00 O ATOM 928 OE2 GLU A 60 -7.550 -15.711 2.833 1.00 0.00 O ATOM 0 H GLU A 60 -3.618 -12.386 3.708 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.517 -14.707 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.540 -12.244 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.422 -12.068 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.622 -12.946 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.716 -14.185 1.068 1.00 0.00 H new ATOM 935 N ALA A 61 -2.745 -12.490 0.600 1.00 0.00 N ATOM 936 CA ALA A 61 -1.945 -12.238 -0.604 1.00 0.00 C ATOM 937 C ALA A 61 -0.660 -13.095 -0.611 1.00 0.00 C ATOM 938 O ALA A 61 -0.129 -13.405 -1.679 1.00 0.00 O ATOM 939 CB ALA A 61 -1.606 -10.742 -0.703 1.00 0.00 C ATOM 0 H ALA A 61 -2.691 -11.732 1.280 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.533 -12.524 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.012 -10.562 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.528 -10.163 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.037 -10.439 0.176 1.00 0.00 H new ATOM 945 N LEU A 62 -0.184 -13.499 0.580 1.00 0.00 N ATOM 946 CA LEU A 62 0.798 -14.581 0.783 1.00 0.00 C ATOM 947 C LEU A 62 0.167 -15.954 0.472 1.00 0.00 C ATOM 948 O LEU A 62 0.813 -16.820 -0.119 1.00 0.00 O ATOM 949 CB LEU A 62 1.310 -14.552 2.238 1.00 0.00 C ATOM 950 CG LEU A 62 2.763 -14.064 2.435 1.00 0.00 C ATOM 951 CD1 LEU A 62 3.085 -14.032 3.938 1.00 0.00 C ATOM 952 CD2 LEU A 62 3.787 -14.964 1.725 1.00 0.00 C ATOM 0 H LEU A 62 -0.481 -13.069 1.456 1.00 0.00 H new ATOM 0 HA LEU A 62 1.635 -14.426 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.650 -13.910 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.226 -15.557 2.652 1.00 0.00 H new ATOM 0 HG LEU A 62 2.836 -13.069 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.109 -13.688 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.399 -13.352 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.976 -15.033 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.792 -14.577 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.717 -15.977 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.580 -14.977 0.655 1.00 0.00 H new ATOM 964 N ALA A 63 -1.112 -16.138 0.859 1.00 0.00 N ATOM 965 CA ALA A 63 -1.994 -17.222 0.404 1.00 0.00 C ATOM 966 C ALA A 63 -2.172 -17.189 -1.129 1.00 0.00 C ATOM 967 O ALA A 63 -2.519 -18.204 -1.736 1.00 0.00 O ATOM 968 CB ALA A 63 -3.358 -17.120 1.106 1.00 0.00 C ATOM 0 H ALA A 63 -1.571 -15.512 1.520 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.530 -18.173 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.005 -17.927 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.219 -17.200 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.818 -16.161 0.869 1.00 0.00 H new ATOM 974 N ALA A 64 -1.932 -16.019 -1.755 1.00 0.00 N ATOM 975 CA ALA A 64 -1.930 -15.820 -3.212 1.00 0.00 C ATOM 976 C ALA A 64 -0.572 -16.200 -3.839 1.00 0.00 C ATOM 977 O ALA A 64 -0.468 -16.341 -5.059 1.00 0.00 O ATOM 978 CB ALA A 64 -2.281 -14.358 -3.536 1.00 0.00 C ATOM 0 H ALA A 64 -1.728 -15.162 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.683 -16.479 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.279 -14.214 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.270 -14.125 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.544 -13.697 -3.080 1.00 0.00 H new ATOM 984 N GLY A 65 0.479 -16.385 -3.005 1.00 0.00 N ATOM 985 CA GLY A 65 1.820 -16.799 -3.445 1.00 0.00 C ATOM 986 C GLY A 65 2.837 -15.631 -3.523 1.00 0.00 C ATOM 987 O GLY A 65 4.030 -15.848 -3.733 1.00 0.00 O ATOM 0 H GLY A 65 0.412 -16.248 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.201 -17.556 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.743 -17.268 -4.426 1.00 0.00 H new ATOM 991 N PHE A 66 2.320 -14.394 -3.386 1.00 0.00 N ATOM 992 CA PHE A 66 2.953 -13.137 -3.804 1.00 0.00 C ATOM 993 C PHE A 66 4.014 -12.663 -2.786 1.00 0.00 C ATOM 994 O PHE A 66 4.111 -13.196 -1.680 1.00 0.00 O ATOM 995 CB PHE A 66 1.878 -12.045 -3.992 1.00 0.00 C ATOM 996 CG PHE A 66 0.866 -12.283 -5.105 1.00 0.00 C ATOM 997 CD1 PHE A 66 0.569 -13.595 -5.546 1.00 0.00 C ATOM 998 CD2 PHE A 66 0.201 -11.185 -5.698 1.00 0.00 C ATOM 999 CE1 PHE A 66 -0.438 -13.810 -6.510 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -0.790 -11.399 -6.680 1.00 0.00 C ATOM 1001 CZ PHE A 66 -1.089 -12.710 -7.108 1.00 0.00 C ATOM 0 H PHE A 66 1.406 -14.242 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 66 3.461 -13.319 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.335 -11.933 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.382 -11.098 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.116 -14.435 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.452 -10.178 -5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.711 -14.817 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.320 -10.559 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.815 -12.871 -7.892 1.00 0.00 H new ATOM 1011 N ARG A 67 4.824 -11.659 -3.190 1.00 0.00 N ATOM 1012 CA ARG A 67 5.916 -11.047 -2.422 1.00 0.00 C ATOM 1013 C ARG A 67 5.630 -9.552 -2.124 1.00 0.00 C ATOM 1014 O ARG A 67 4.865 -8.926 -2.860 1.00 0.00 O ATOM 1015 CB ARG A 67 7.237 -11.195 -3.211 1.00 0.00 C ATOM 1016 CG ARG A 67 7.624 -12.662 -3.426 1.00 0.00 C ATOM 1017 CD ARG A 67 7.135 -13.248 -4.755 1.00 0.00 C ATOM 1018 NE ARG A 67 8.292 -13.557 -5.609 1.00 0.00 N ATOM 1019 CZ ARG A 67 9.004 -12.683 -6.338 1.00 0.00 C ATOM 1020 NH1 ARG A 67 8.709 -11.374 -6.346 1.00 0.00 N ATOM 1021 NH2 ARG A 67 10.030 -13.138 -7.072 1.00 0.00 N ATOM 0 H ARG A 67 4.722 -11.235 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 67 6.000 -11.561 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.137 -10.702 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.037 -10.685 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.709 -12.751 -3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.219 -13.257 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.551 -14.151 -4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.477 -12.539 -5.258 1.00 0.00 H new ATOM 0 HE ARG A 67 8.583 -14.534 -5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.929 -11.024 -5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.265 -10.729 -6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.257 -14.132 -7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.583 -12.490 -7.633 1.00 0.00 H new ATOM 1035 N PRO A 68 6.197 -8.968 -1.042 1.00 0.00 N ATOM 1036 CA PRO A 68 5.875 -7.625 -0.528 1.00 0.00 C ATOM 1037 C PRO A 68 6.599 -6.458 -1.241 1.00 0.00 C ATOM 1038 O PRO A 68 7.824 -6.357 -1.177 1.00 0.00 O ATOM 1039 CB PRO A 68 6.209 -7.665 0.974 1.00 0.00 C ATOM 1040 CG PRO A 68 6.809 -9.046 1.242 1.00 0.00 C ATOM 1041 CD PRO A 68 7.181 -9.567 -0.139 1.00 0.00 C ATOM 0 HA PRO A 68 4.824 -7.412 -0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.914 -6.877 1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.314 -7.506 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.682 -8.982 1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.092 -9.702 1.735 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.196 -9.277 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.140 -10.656 -0.175 1.00 0.00 H new ATOM 1049 N CYS A 69 5.829 -5.592 -1.926 1.00 0.00 N ATOM 1050 CA CYS A 69 6.287 -4.451 -2.735 1.00 0.00 C ATOM 1051 C CYS A 69 7.405 -3.677 -2.007 1.00 0.00 C ATOM 1052 O CYS A 69 7.426 -3.639 -0.772 1.00 0.00 O ATOM 1053 CB CYS A 69 5.063 -3.566 -3.064 1.00 0.00 C ATOM 1054 SG CYS A 69 5.488 -1.979 -3.857 1.00 0.00 S ATOM 0 H CYS A 69 4.812 -5.676 -1.929 1.00 0.00 H new ATOM 0 HA CYS A 69 6.725 -4.797 -3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.392 -4.120 -3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.514 -3.365 -2.144 1.00 0.00 H new ATOM 0 HG CYS A 69 4.398 -1.357 -4.196 1.00 0.00 H new ATOM 1059 N LYS A 70 8.340 -3.064 -2.758 1.00 0.00 N ATOM 1060 CA LYS A 70 9.597 -2.495 -2.251 1.00 0.00 C ATOM 1061 C LYS A 70 9.360 -1.109 -1.610 1.00 0.00 C ATOM 1062 O LYS A 70 10.325 -0.421 -1.259 1.00 0.00 O ATOM 1063 CB LYS A 70 10.629 -2.420 -3.398 1.00 0.00 C ATOM 1064 CG LYS A 70 12.077 -2.364 -2.883 1.00 0.00 C ATOM 1065 CD LYS A 70 12.961 -1.423 -3.713 1.00 0.00 C ATOM 1066 CE LYS A 70 13.526 -2.174 -4.929 1.00 0.00 C ATOM 1067 NZ LYS A 70 13.894 -1.256 -6.021 1.00 0.00 N ATOM 0 H LYS A 70 8.235 -2.949 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 70 9.993 -3.144 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.511 -3.288 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.428 -1.538 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.077 -2.035 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.504 -3.367 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.380 -0.562 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.777 -1.041 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.402 -2.747 -4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.786 -2.889 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.271 -1.802 -6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.053 -0.727 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.619 -0.590 -5.685 1.00 0.00 H new ATOM 1081 N ARG A 71 8.089 -0.691 -1.464 1.00 0.00 N ATOM 1082 CA ARG A 71 7.662 0.673 -1.111 1.00 0.00 C ATOM 1083 C ARG A 71 6.643 0.649 0.048 1.00 0.00 C ATOM 1084 O ARG A 71 6.757 1.424 0.998 1.00 0.00 O ATOM 1085 CB ARG A 71 7.076 1.349 -2.369 1.00 0.00 C ATOM 1086 CG ARG A 71 7.486 2.822 -2.505 1.00 0.00 C ATOM 1087 CD ARG A 71 7.289 3.345 -3.934 1.00 0.00 C ATOM 1088 NE ARG A 71 7.737 2.357 -4.927 1.00 0.00 N ATOM 1089 CZ ARG A 71 8.955 2.300 -5.495 1.00 0.00 C ATOM 1090 NH1 ARG A 71 9.920 3.175 -5.171 1.00 0.00 N ATOM 1091 NH2 ARG A 71 9.211 1.351 -6.407 1.00 0.00 N ATOM 0 H ARG A 71 7.299 -1.323 -1.595 1.00 0.00 H new ATOM 0 HA ARG A 71 8.519 1.249 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.404 0.803 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.989 1.282 -2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.899 3.427 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.532 2.935 -2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.237 3.578 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.845 4.274 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 71 7.061 1.649 -5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.737 3.903 -4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.836 3.112 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.486 0.682 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.131 1.299 -6.844 1.00 0.00 H new ATOM 1105 N CYS A 72 5.649 -0.262 -0.033 1.00 0.00 N ATOM 1106 CA CYS A 72 4.462 -0.320 0.830 1.00 0.00 C ATOM 1107 C CYS A 72 4.634 -1.365 1.952 1.00 0.00 C ATOM 1108 O CYS A 72 4.703 -1.007 3.129 1.00 0.00 O ATOM 1109 CB CYS A 72 3.217 -0.603 -0.042 1.00 0.00 C ATOM 1110 SG CYS A 72 3.242 0.409 -1.553 1.00 0.00 S ATOM 0 H CYS A 72 5.658 -1.005 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 72 4.328 0.641 1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.186 -1.660 -0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.312 -0.391 0.528 1.00 0.00 H new ATOM 0 HG CYS A 72 3.460 1.652 -1.239 1.00 0.00 H new ATOM 1115 N GLN A 73 4.674 -2.662 1.587 1.00 0.00 N ATOM 1116 CA GLN A 73 4.459 -3.798 2.495 1.00 0.00 C ATOM 1117 C GLN A 73 5.513 -3.791 3.631 1.00 0.00 C ATOM 1118 O GLN A 73 5.125 -3.831 4.802 1.00 0.00 O ATOM 1119 CB GLN A 73 4.543 -5.093 1.659 1.00 0.00 C ATOM 1120 CG GLN A 73 3.324 -6.024 1.820 1.00 0.00 C ATOM 1121 CD GLN A 73 3.051 -6.481 3.260 1.00 0.00 C ATOM 1122 OE1 GLN A 73 3.645 -7.458 3.709 1.00 0.00 O ATOM 1123 NE2 GLN A 73 2.169 -5.796 3.996 1.00 0.00 N ATOM 0 H GLN A 73 4.862 -2.952 0.627 1.00 0.00 H new ATOM 0 HA GLN A 73 3.480 -3.729 2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.648 -4.828 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.443 -5.638 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.440 -5.511 1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.472 -6.905 1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.690 -4.988 3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.975 -6.081 4.956 1.00 0.00 H new