USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -98:sc= 0.242 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.663 USER MOD Set 2.1: A 57 ASN : amide:sc= -9.46! C(o=-15!,f=-33!) USER MOD Set 2.2: A 60 MET CE :methyl 138:sc= -5.49! (180deg=-9!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.43 K(o=-1.4,f=-14!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -143:sc= -1.16 (180deg=-2.44!) USER MOD Single : A 53 GLN : amide:sc=-0.000869 X(o=-0.00087,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -84:sc= 0.315 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 100:sc= 0.241 USER MOD Single : A 73 TYR OH : rot 108:sc= 0.0567 USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= 0.705 (180deg=0.469) USER MOD Single : A 75 THR OG1 : rot -27:sc= 0.0667 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.48) USER MOD Single : A 94 HIS : no HD1:sc=-0.00413 X(o=-0.0041,f=-0.091) USER MOD Single : A 97 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 24.798 -10.003 -1.072 1.00 0.00 N ATOM 106 CA LEU A 11 25.509 -11.021 -1.839 1.00 0.00 C ATOM 107 C LEU A 11 24.829 -12.380 -1.702 1.00 0.00 C ATOM 108 O LEU A 11 24.335 -12.939 -2.681 1.00 0.00 O ATOM 109 CB LEU A 11 26.963 -11.116 -1.373 1.00 0.00 C ATOM 110 CG LEU A 11 27.861 -12.064 -2.168 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.783 -13.474 -1.603 1.00 0.00 C ATOM 112 CD2 LEU A 11 27.476 -12.056 -3.640 1.00 0.00 C ATOM 0 HA LEU A 11 25.489 -10.730 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.401 -10.118 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.969 -11.431 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 11 28.890 -11.716 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.429 -14.134 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.109 -13.468 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 11 26.755 -13.832 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.126 -12.737 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.440 -12.378 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.586 -11.048 -4.039 1.00 0.00 H new ATOM 124 N TRP A 12 24.806 -12.903 -0.481 1.00 0.00 N ATOM 125 CA TRP A 12 24.184 -14.195 -0.216 1.00 0.00 C ATOM 126 C TRP A 12 22.822 -14.294 -0.894 1.00 0.00 C ATOM 127 O TRP A 12 22.424 -15.364 -1.353 1.00 0.00 O ATOM 128 CB TRP A 12 24.034 -14.412 1.291 1.00 0.00 C ATOM 129 CG TRP A 12 22.873 -13.674 1.885 1.00 0.00 C ATOM 130 CD1 TRP A 12 22.902 -12.446 2.482 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.513 -14.117 1.940 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.641 -12.099 2.906 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.771 -13.108 2.584 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.849 -15.268 1.507 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.401 -13.217 2.805 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.489 -15.375 1.727 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.776 -14.354 2.370 1.00 0.00 C ATOM 0 H TRP A 12 25.210 -12.453 0.340 1.00 0.00 H new ATOM 0 HA TRP A 12 24.830 -14.972 -0.626 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.917 -15.478 1.487 1.00 0.00 H new ATOM 0 HB3 TRP A 12 24.950 -14.095 1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 12 23.786 -11.837 2.603 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.393 -11.232 3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.389 -16.060 1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 18.851 -12.432 3.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.966 -16.261 1.398 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.713 -14.467 2.525 1.00 0.00 H new ATOM 148 N GLU A 13 22.112 -13.171 -0.953 1.00 0.00 N ATOM 149 CA GLU A 13 20.794 -13.133 -1.576 1.00 0.00 C ATOM 150 C GLU A 13 20.911 -13.129 -3.097 1.00 0.00 C ATOM 151 O GLU A 13 20.142 -13.794 -3.792 1.00 0.00 O ATOM 152 CB GLU A 13 20.021 -11.898 -1.109 1.00 0.00 C ATOM 153 CG GLU A 13 18.974 -12.199 -0.050 1.00 0.00 C ATOM 154 CD GLU A 13 17.610 -11.639 -0.401 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.556 -10.612 -1.109 1.00 0.00 O ATOM 156 OE2 GLU A 13 16.597 -12.227 0.031 1.00 0.00 O ATOM 0 H GLU A 13 22.427 -12.277 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 13 20.251 -14.028 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 13 20.726 -11.167 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.534 -11.438 -1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.896 -13.278 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.298 -11.784 0.904 1.00 0.00 H new ATOM 163 N PHE A 14 21.878 -12.374 -3.609 1.00 0.00 N ATOM 164 CA PHE A 14 22.095 -12.282 -5.048 1.00 0.00 C ATOM 165 C PHE A 14 22.378 -13.657 -5.645 1.00 0.00 C ATOM 166 O PHE A 14 21.744 -14.067 -6.617 1.00 0.00 O ATOM 167 CB PHE A 14 23.257 -11.333 -5.349 1.00 0.00 C ATOM 168 CG PHE A 14 23.977 -11.655 -6.628 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.010 -12.577 -6.643 1.00 0.00 C ATOM 170 CD2 PHE A 14 23.621 -11.033 -7.814 1.00 0.00 C ATOM 171 CE1 PHE A 14 25.675 -12.876 -7.818 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.281 -11.328 -8.992 1.00 0.00 C ATOM 173 CZ PHE A 14 25.310 -12.250 -8.993 1.00 0.00 C ATOM 0 H PHE A 14 22.523 -11.817 -3.049 1.00 0.00 H new ATOM 0 HA PHE A 14 21.186 -11.889 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 14 22.878 -10.312 -5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 14 23.967 -11.367 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.300 -13.068 -5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 14 22.819 -10.310 -7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.478 -13.598 -7.816 1.00 0.00 H new ATOM 0 HE2 PHE A 14 23.993 -10.838 -9.911 1.00 0.00 H new ATOM 0 HZ PHE A 14 25.828 -12.481 -9.912 1.00 0.00 H new ATOM 183 N VAL A 15 23.336 -14.365 -5.055 1.00 0.00 N ATOM 184 CA VAL A 15 23.705 -15.695 -5.528 1.00 0.00 C ATOM 185 C VAL A 15 22.528 -16.659 -5.429 1.00 0.00 C ATOM 186 O VAL A 15 22.303 -17.474 -6.323 1.00 0.00 O ATOM 187 CB VAL A 15 24.890 -16.266 -4.727 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.599 -16.222 -3.235 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.201 -17.686 -5.177 1.00 0.00 C ATOM 0 H VAL A 15 23.871 -14.040 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 15 23.998 -15.590 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 15 25.767 -15.648 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.448 -16.630 -2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.430 -15.190 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.710 -16.815 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.041 -18.075 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.328 -18.318 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.458 -17.684 -6.236 1.00 0.00 H new ATOM 199 N ARG A 16 21.779 -16.559 -4.336 1.00 0.00 N ATOM 200 CA ARG A 16 20.624 -17.423 -4.119 1.00 0.00 C ATOM 201 C ARG A 16 19.542 -17.156 -5.162 1.00 0.00 C ATOM 202 O ARG A 16 19.025 -18.082 -5.786 1.00 0.00 O ATOM 203 CB ARG A 16 20.058 -17.210 -2.714 1.00 0.00 C ATOM 204 CG ARG A 16 18.804 -18.022 -2.434 1.00 0.00 C ATOM 205 CD ARG A 16 17.655 -17.135 -1.981 1.00 0.00 C ATOM 206 NE ARG A 16 17.226 -16.215 -3.031 1.00 0.00 N ATOM 207 CZ ARG A 16 16.237 -15.342 -2.884 1.00 0.00 C ATOM 208 NH1 ARG A 16 15.577 -15.269 -1.736 1.00 0.00 N ATOM 209 NH2 ARG A 16 15.905 -14.538 -3.887 1.00 0.00 N ATOM 0 H ARG A 16 21.951 -15.889 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 16 20.952 -18.458 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.821 -17.471 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 16 19.834 -16.152 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.513 -18.565 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.015 -18.766 -1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.813 -17.758 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 16 17.961 -16.566 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 16 17.713 -16.245 -3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.829 -15.885 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.818 -14.597 -1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.410 -14.591 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.145 -13.868 -3.773 1.00 0.00 H new ATOM 223 N ASP A 17 19.205 -15.884 -5.343 1.00 0.00 N ATOM 224 CA ASP A 17 18.185 -15.494 -6.310 1.00 0.00 C ATOM 225 C ASP A 17 18.482 -16.089 -7.683 1.00 0.00 C ATOM 226 O ASP A 17 17.571 -16.501 -8.403 1.00 0.00 O ATOM 227 CB ASP A 17 18.101 -13.970 -6.409 1.00 0.00 C ATOM 228 CG ASP A 17 16.808 -13.502 -7.047 1.00 0.00 C ATOM 229 OD1 ASP A 17 15.816 -14.259 -7.003 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.787 -12.377 -7.591 1.00 0.00 O ATOM 0 H ASP A 17 19.623 -15.106 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 17 17.226 -15.881 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.188 -13.539 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.945 -13.599 -6.991 1.00 0.00 H new ATOM 235 N LEU A 18 19.761 -16.131 -8.040 1.00 0.00 N ATOM 236 CA LEU A 18 20.178 -16.675 -9.327 1.00 0.00 C ATOM 237 C LEU A 18 19.641 -18.090 -9.521 1.00 0.00 C ATOM 238 O LEU A 18 19.115 -18.426 -10.583 1.00 0.00 O ATOM 239 CB LEU A 18 21.704 -16.678 -9.431 1.00 0.00 C ATOM 240 CG LEU A 18 22.345 -15.384 -9.934 1.00 0.00 C ATOM 241 CD1 LEU A 18 23.824 -15.349 -9.582 1.00 0.00 C ATOM 242 CD2 LEU A 18 22.150 -15.241 -11.436 1.00 0.00 C ATOM 0 H LEU A 18 20.527 -15.795 -7.456 1.00 0.00 H new ATOM 0 HA LEU A 18 19.767 -16.040 -10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.115 -16.905 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.001 -17.489 -10.095 1.00 0.00 H new ATOM 0 HG LEU A 18 21.855 -14.544 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.263 -14.421 -9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.942 -15.404 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.329 -16.197 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.613 -14.315 -11.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.613 -16.086 -11.945 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.084 -15.220 -11.664 1.00 0.00 H new ATOM 254 N LEU A 19 19.775 -18.914 -8.487 1.00 0.00 N ATOM 255 CA LEU A 19 19.302 -20.293 -8.542 1.00 0.00 C ATOM 256 C LEU A 19 17.796 -20.342 -8.781 1.00 0.00 C ATOM 257 O LEU A 19 17.309 -21.147 -9.576 1.00 0.00 O ATOM 258 CB LEU A 19 19.648 -21.023 -7.244 1.00 0.00 C ATOM 259 CG LEU A 19 21.089 -21.516 -7.115 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.479 -21.649 -5.650 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.266 -22.843 -7.838 1.00 0.00 C ATOM 0 H LEU A 19 20.207 -18.651 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 19 19.800 -20.790 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.437 -20.356 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.982 -21.880 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 19 21.747 -20.781 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.508 -22.001 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.392 -20.679 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.816 -22.363 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.298 -23.178 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.598 -23.586 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.029 -22.716 -8.894 1.00 0.00 H new ATOM 273 N LEU A 20 17.064 -19.475 -8.090 1.00 0.00 N ATOM 274 CA LEU A 20 15.613 -19.418 -8.228 1.00 0.00 C ATOM 275 C LEU A 20 15.215 -18.639 -9.478 1.00 0.00 C ATOM 276 O LEU A 20 14.063 -18.682 -9.908 1.00 0.00 O ATOM 277 CB LEU A 20 14.988 -18.772 -6.991 1.00 0.00 C ATOM 278 CG LEU A 20 15.580 -19.189 -5.644 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.798 -18.562 -4.500 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.594 -20.706 -5.515 1.00 0.00 C ATOM 0 H LEU A 20 17.451 -18.802 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 20 15.242 -20.438 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.079 -17.690 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.923 -19.003 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 20 16.608 -18.830 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.234 -18.870 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.839 -17.476 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.760 -18.890 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.018 -20.985 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.575 -21.087 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.198 -21.134 -6.315 1.00 0.00 H new ATOM 292 N SER A 21 16.178 -17.929 -10.058 1.00 0.00 N ATOM 293 CA SER A 21 15.928 -17.139 -11.258 1.00 0.00 C ATOM 294 C SER A 21 16.790 -17.627 -12.419 1.00 0.00 C ATOM 295 O SER A 21 17.862 -17.090 -12.698 1.00 0.00 O ATOM 296 CB SER A 21 16.207 -15.659 -10.988 1.00 0.00 C ATOM 297 OG SER A 21 15.123 -15.052 -10.306 1.00 0.00 O ATOM 0 H SER A 21 17.138 -17.885 -9.716 1.00 0.00 H new ATOM 0 HA SER A 21 14.880 -17.260 -11.530 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.116 -15.559 -10.394 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.384 -15.141 -11.931 1.00 0.00 H new ATOM 0 HG SER A 21 15.326 -14.107 -10.144 1.00 0.00 H new ATOM 303 N PRO A 22 16.311 -18.670 -13.113 1.00 0.00 N ATOM 304 CA PRO A 22 17.020 -19.254 -14.255 1.00 0.00 C ATOM 305 C PRO A 22 17.031 -18.328 -15.466 1.00 0.00 C ATOM 306 O PRO A 22 17.730 -18.582 -16.446 1.00 0.00 O ATOM 307 CB PRO A 22 16.220 -20.523 -14.559 1.00 0.00 C ATOM 308 CG PRO A 22 14.852 -20.241 -14.040 1.00 0.00 C ATOM 309 CD PRO A 22 15.039 -19.360 -12.836 1.00 0.00 C ATOM 0 HA PRO A 22 18.070 -19.440 -14.030 1.00 0.00 H new ATOM 0 HB2 PRO A 22 16.202 -20.733 -15.628 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.657 -21.394 -14.070 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.243 -19.745 -14.796 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.338 -21.164 -13.772 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.216 -18.655 -12.722 1.00 0.00 H new ATOM 0 HD3 PRO A 22 15.090 -19.942 -11.916 1.00 0.00 H new ATOM 317 N GLU A 23 16.251 -17.254 -15.390 1.00 0.00 N ATOM 318 CA GLU A 23 16.172 -16.290 -16.482 1.00 0.00 C ATOM 319 C GLU A 23 17.396 -15.379 -16.494 1.00 0.00 C ATOM 320 O GLU A 23 17.806 -14.888 -17.545 1.00 0.00 O ATOM 321 CB GLU A 23 14.898 -15.451 -16.359 1.00 0.00 C ATOM 322 CG GLU A 23 13.844 -15.788 -17.401 1.00 0.00 C ATOM 323 CD GLU A 23 12.617 -14.904 -17.296 1.00 0.00 C ATOM 324 OE1 GLU A 23 12.777 -13.666 -17.276 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.496 -15.451 -17.235 1.00 0.00 O ATOM 0 H GLU A 23 15.666 -17.030 -14.585 1.00 0.00 H new ATOM 0 HA GLU A 23 16.145 -16.844 -17.420 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.473 -15.594 -15.365 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.158 -14.396 -16.446 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.277 -15.686 -18.396 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.547 -16.831 -17.288 1.00 0.00 H new ATOM 332 N GLU A 24 17.972 -15.157 -15.316 1.00 0.00 N ATOM 333 CA GLU A 24 19.148 -14.304 -15.191 1.00 0.00 C ATOM 334 C GLU A 24 20.421 -15.140 -15.101 1.00 0.00 C ATOM 335 O GLU A 24 21.443 -14.800 -15.695 1.00 0.00 O ATOM 336 CB GLU A 24 19.025 -13.407 -13.957 1.00 0.00 C ATOM 337 CG GLU A 24 18.582 -11.989 -14.276 1.00 0.00 C ATOM 338 CD GLU A 24 19.688 -10.972 -14.074 1.00 0.00 C ATOM 339 OE1 GLU A 24 20.017 -10.678 -12.906 1.00 0.00 O ATOM 340 OE2 GLU A 24 20.225 -10.472 -15.084 1.00 0.00 O ATOM 0 H GLU A 24 17.644 -15.555 -14.436 1.00 0.00 H new ATOM 0 HA GLU A 24 19.208 -13.679 -16.082 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.313 -13.854 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.988 -13.372 -13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.237 -11.944 -15.309 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.733 -11.727 -13.644 1.00 0.00 H new ATOM 347 N ASN A 25 20.350 -16.237 -14.353 1.00 0.00 N ATOM 348 CA ASN A 25 21.496 -17.122 -14.184 1.00 0.00 C ATOM 349 C ASN A 25 21.712 -17.976 -15.430 1.00 0.00 C ATOM 350 O ASN A 25 20.786 -18.624 -15.919 1.00 0.00 O ATOM 351 CB ASN A 25 21.295 -18.023 -12.963 1.00 0.00 C ATOM 352 CG ASN A 25 22.309 -19.149 -12.903 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.362 -19.086 -13.537 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.993 -20.188 -12.139 1.00 0.00 N ATOM 0 H ASN A 25 19.511 -16.534 -13.855 1.00 0.00 H new ATOM 0 HA ASN A 25 22.381 -16.505 -14.030 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.368 -17.423 -12.056 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.290 -18.444 -12.987 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.635 -20.977 -12.060 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.109 -20.197 -11.631 1.00 0.00 H new ATOM 361 N CYS A 26 22.940 -17.973 -15.936 1.00 0.00 N ATOM 362 CA CYS A 26 23.279 -18.747 -17.125 1.00 0.00 C ATOM 363 C CYS A 26 24.310 -19.822 -16.798 1.00 0.00 C ATOM 364 O CYS A 26 25.514 -19.603 -16.931 1.00 0.00 O ATOM 365 CB CYS A 26 23.814 -17.827 -18.223 1.00 0.00 C ATOM 366 SG CYS A 26 23.122 -18.152 -19.861 1.00 0.00 S ATOM 0 H CYS A 26 23.717 -17.443 -15.542 1.00 0.00 H new ATOM 0 HA CYS A 26 22.372 -19.235 -17.481 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.603 -16.793 -17.950 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.898 -17.929 -18.272 1.00 0.00 H new ATOM 0 HG CYS A 26 23.634 -17.322 -20.721 1.00 0.00 H new ATOM 372 N GLY A 27 23.830 -20.985 -16.368 1.00 0.00 N ATOM 373 CA GLY A 27 24.723 -22.076 -16.027 1.00 0.00 C ATOM 374 C GLY A 27 25.846 -21.640 -15.107 1.00 0.00 C ATOM 375 O GLY A 27 26.989 -22.072 -15.264 1.00 0.00 O ATOM 0 H GLY A 27 22.838 -21.191 -16.250 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.153 -22.872 -15.548 1.00 0.00 H new ATOM 0 HA3 GLY A 27 25.147 -22.493 -16.940 1.00 0.00 H new ATOM 379 N ILE A 28 25.523 -20.782 -14.146 1.00 0.00 N ATOM 380 CA ILE A 28 26.514 -20.287 -13.199 1.00 0.00 C ATOM 381 C ILE A 28 26.552 -21.150 -11.942 1.00 0.00 C ATOM 382 O ILE A 28 27.608 -21.338 -11.337 1.00 0.00 O ATOM 383 CB ILE A 28 26.229 -18.828 -12.797 1.00 0.00 C ATOM 384 CG1 ILE A 28 26.030 -17.962 -14.043 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.363 -18.283 -11.942 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.561 -16.558 -13.735 1.00 0.00 C ATOM 0 H ILE A 28 24.582 -20.415 -14.002 1.00 0.00 H new ATOM 0 HA ILE A 28 27.481 -20.335 -13.700 1.00 0.00 H new ATOM 0 HB ILE A 28 25.312 -18.801 -12.209 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.970 -17.910 -14.593 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.304 -18.443 -14.698 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.147 -17.251 -11.666 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.461 -18.887 -11.040 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.295 -18.320 -12.507 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.441 -16.002 -14.665 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.606 -16.600 -13.212 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.297 -16.058 -13.106 1.00 0.00 H new ATOM 398 N LEU A 29 25.394 -21.674 -11.556 1.00 0.00 N ATOM 399 CA LEU A 29 25.294 -22.520 -10.372 1.00 0.00 C ATOM 400 C LEU A 29 24.465 -23.767 -10.662 1.00 0.00 C ATOM 401 O LEU A 29 23.868 -23.892 -11.731 1.00 0.00 O ATOM 402 CB LEU A 29 24.672 -21.739 -9.213 1.00 0.00 C ATOM 403 CG LEU A 29 25.318 -20.391 -8.890 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.282 -19.420 -8.345 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.458 -20.570 -7.898 1.00 0.00 C ATOM 0 H LEU A 29 24.511 -21.528 -12.046 1.00 0.00 H new ATOM 0 HA LEU A 29 26.301 -22.832 -10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.619 -21.570 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.711 -22.362 -8.319 1.00 0.00 H new ATOM 0 HG LEU A 29 25.727 -19.975 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.760 -18.466 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.499 -19.268 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.843 -19.829 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.906 -19.601 -7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.073 -21.008 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.212 -21.230 -8.326 1.00 0.00 H new ATOM 417 N GLU A 30 24.431 -24.686 -9.701 1.00 0.00 N ATOM 418 CA GLU A 30 23.673 -25.922 -9.854 1.00 0.00 C ATOM 419 C GLU A 30 23.042 -26.341 -8.529 1.00 0.00 C ATOM 420 O GLU A 30 23.638 -26.171 -7.465 1.00 0.00 O ATOM 421 CB GLU A 30 24.578 -27.040 -10.377 1.00 0.00 C ATOM 422 CG GLU A 30 24.626 -27.125 -11.893 1.00 0.00 C ATOM 423 CD GLU A 30 24.542 -28.552 -12.400 1.00 0.00 C ATOM 424 OE1 GLU A 30 24.863 -29.476 -11.624 1.00 0.00 O ATOM 425 OE2 GLU A 30 24.156 -28.743 -13.572 1.00 0.00 O ATOM 0 H GLU A 30 24.919 -24.598 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 30 22.876 -25.742 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.588 -26.885 -9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.231 -27.993 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.803 -26.545 -12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.550 -26.670 -12.250 1.00 0.00 H new ATOM 432 N TRP A 31 21.834 -26.888 -8.603 1.00 0.00 N ATOM 433 CA TRP A 31 21.122 -27.330 -7.410 1.00 0.00 C ATOM 434 C TRP A 31 21.495 -28.765 -7.054 1.00 0.00 C ATOM 435 O TRP A 31 20.930 -29.715 -7.596 1.00 0.00 O ATOM 436 CB TRP A 31 19.611 -27.221 -7.623 1.00 0.00 C ATOM 437 CG TRP A 31 19.052 -25.885 -7.236 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.361 -25.022 -8.038 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.137 -25.261 -5.950 1.00 0.00 C ATOM 440 NE1 TRP A 31 18.013 -23.898 -7.328 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.476 -24.020 -6.045 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.706 -25.629 -4.728 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.371 -23.149 -4.965 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.601 -24.762 -3.657 1.00 0.00 C ATOM 445 CH2 TRP A 31 18.937 -23.535 -3.780 1.00 0.00 C ATOM 0 H TRP A 31 21.328 -27.036 -9.476 1.00 0.00 H new ATOM 0 HA TRP A 31 21.413 -26.683 -6.583 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.384 -27.412 -8.672 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.112 -27.997 -7.043 1.00 0.00 H new ATOM 0 HD1 TRP A 31 18.123 -25.197 -9.077 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.494 -23.101 -7.697 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.219 -26.574 -4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.861 -22.202 -5.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.039 -25.035 -2.708 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.870 -22.881 -2.923 1.00 0.00 H new ATOM 456 N GLU A 32 22.448 -28.915 -6.139 1.00 0.00 N ATOM 457 CA GLU A 32 22.896 -30.236 -5.713 1.00 0.00 C ATOM 458 C GLU A 32 21.908 -30.852 -4.726 1.00 0.00 C ATOM 459 O GLU A 32 21.707 -32.066 -4.710 1.00 0.00 O ATOM 460 CB GLU A 32 24.283 -30.147 -5.075 1.00 0.00 C ATOM 461 CG GLU A 32 25.405 -29.958 -6.082 1.00 0.00 C ATOM 462 CD GLU A 32 26.009 -31.273 -6.536 1.00 0.00 C ATOM 463 OE1 GLU A 32 25.247 -32.249 -6.700 1.00 0.00 O ATOM 464 OE2 GLU A 32 27.242 -31.326 -6.727 1.00 0.00 O ATOM 0 H GLU A 32 22.924 -28.139 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 32 22.950 -30.876 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.296 -29.317 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.469 -31.056 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.023 -29.419 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.185 -29.338 -5.640 1.00 0.00 H new ATOM 471 N ASP A 33 21.297 -30.006 -3.904 1.00 0.00 N ATOM 472 CA ASP A 33 20.331 -30.466 -2.913 1.00 0.00 C ATOM 473 C ASP A 33 19.419 -29.325 -2.472 1.00 0.00 C ATOM 474 O ASP A 33 19.811 -28.480 -1.667 1.00 0.00 O ATOM 475 CB ASP A 33 21.053 -31.056 -1.701 1.00 0.00 C ATOM 476 CG ASP A 33 21.296 -32.546 -1.840 1.00 0.00 C ATOM 477 OD1 ASP A 33 20.319 -33.319 -1.750 1.00 0.00 O ATOM 478 OD2 ASP A 33 22.464 -32.940 -2.041 1.00 0.00 O ATOM 0 H ASP A 33 21.453 -28.998 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 33 19.717 -31.241 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 33 22.007 -30.546 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.463 -30.869 -0.804 1.00 0.00 H new ATOM 483 N ARG A 34 18.203 -29.307 -3.006 1.00 0.00 N ATOM 484 CA ARG A 34 17.236 -28.268 -2.670 1.00 0.00 C ATOM 485 C ARG A 34 16.824 -28.364 -1.204 1.00 0.00 C ATOM 486 O ARG A 34 16.751 -27.355 -0.503 1.00 0.00 O ATOM 487 CB ARG A 34 16.002 -28.380 -3.566 1.00 0.00 C ATOM 488 CG ARG A 34 16.316 -28.281 -5.050 1.00 0.00 C ATOM 489 CD ARG A 34 16.540 -26.839 -5.477 1.00 0.00 C ATOM 490 NE ARG A 34 15.314 -26.050 -5.406 1.00 0.00 N ATOM 491 CZ ARG A 34 14.388 -26.042 -6.359 1.00 0.00 C ATOM 492 NH1 ARG A 34 14.550 -26.778 -7.450 1.00 0.00 N ATOM 493 NH2 ARG A 34 13.299 -25.298 -6.221 1.00 0.00 N ATOM 0 H ARG A 34 17.863 -30.000 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 34 17.709 -27.300 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.507 -29.331 -3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.297 -27.593 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.205 -28.870 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.495 -28.709 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.300 -26.386 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.926 -26.819 -6.496 1.00 0.00 H new ATOM 0 HE ARG A 34 15.160 -25.473 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.386 -27.352 -7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.838 -26.771 -8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.172 -24.731 -5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.589 -25.293 -6.953 1.00 0.00 H new ATOM 507 N GLU A 35 16.554 -29.583 -0.748 1.00 0.00 N ATOM 508 CA GLU A 35 16.148 -29.809 0.634 1.00 0.00 C ATOM 509 C GLU A 35 17.226 -29.333 1.603 1.00 0.00 C ATOM 510 O GLU A 35 16.941 -28.610 2.557 1.00 0.00 O ATOM 511 CB GLU A 35 15.856 -31.293 0.866 1.00 0.00 C ATOM 512 CG GLU A 35 14.429 -31.692 0.533 1.00 0.00 C ATOM 513 CD GLU A 35 13.621 -32.056 1.764 1.00 0.00 C ATOM 514 OE1 GLU A 35 13.878 -33.132 2.344 1.00 0.00 O ATOM 515 OE2 GLU A 35 12.734 -31.266 2.147 1.00 0.00 O ATOM 0 H GLU A 35 16.609 -30.429 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 35 15.240 -29.234 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.541 -31.888 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.058 -31.536 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.939 -30.870 0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.443 -32.540 -0.151 1.00 0.00 H new ATOM 522 N GLN A 36 18.464 -29.746 1.350 1.00 0.00 N ATOM 523 CA GLN A 36 19.585 -29.363 2.201 1.00 0.00 C ATOM 524 C GLN A 36 20.002 -27.920 1.935 1.00 0.00 C ATOM 525 O GLN A 36 20.511 -27.238 2.823 1.00 0.00 O ATOM 526 CB GLN A 36 20.771 -30.300 1.970 1.00 0.00 C ATOM 527 CG GLN A 36 20.418 -31.773 2.101 1.00 0.00 C ATOM 528 CD GLN A 36 21.492 -32.570 2.814 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.444 -33.045 2.193 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.346 -32.721 4.125 1.00 0.00 N ATOM 0 H GLN A 36 18.716 -30.345 0.564 1.00 0.00 H new ATOM 0 HA GLN A 36 19.264 -29.444 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.177 -30.120 0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.558 -30.059 2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.478 -31.870 2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.258 -32.194 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.542 -32.310 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.038 -33.248 4.658 1.00 0.00 H new ATOM 539 N GLY A 37 19.782 -27.463 0.706 1.00 0.00 N ATOM 540 CA GLY A 37 20.142 -26.104 0.346 1.00 0.00 C ATOM 541 C GLY A 37 21.574 -25.992 -0.139 1.00 0.00 C ATOM 542 O GLY A 37 22.220 -24.960 0.047 1.00 0.00 O ATOM 0 H GLY A 37 19.361 -28.009 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.469 -25.748 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 37 20.002 -25.454 1.210 1.00 0.00 H new ATOM 546 N ILE A 38 22.071 -27.056 -0.761 1.00 0.00 N ATOM 547 CA ILE A 38 23.436 -27.072 -1.273 1.00 0.00 C ATOM 548 C ILE A 38 23.469 -26.734 -2.759 1.00 0.00 C ATOM 549 O ILE A 38 22.647 -27.219 -3.536 1.00 0.00 O ATOM 550 CB ILE A 38 24.102 -28.444 -1.055 1.00 0.00 C ATOM 551 CG1 ILE A 38 24.159 -28.776 0.437 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.498 -28.456 -1.660 1.00 0.00 C ATOM 553 CD1 ILE A 38 24.102 -30.259 0.729 1.00 0.00 C ATOM 0 H ILE A 38 21.549 -27.918 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 38 23.991 -26.315 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 38 23.504 -29.206 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 38 25.078 -28.366 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 38 23.329 -28.282 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.956 -29.432 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.433 -28.259 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 38 26.107 -27.686 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 38 24.147 -30.420 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 38 23.171 -30.671 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.947 -30.756 0.252 1.00 0.00 H new ATOM 565 N PHE A 39 24.427 -25.899 -3.148 1.00 0.00 N ATOM 566 CA PHE A 39 24.569 -25.495 -4.543 1.00 0.00 C ATOM 567 C PHE A 39 26.041 -25.424 -4.941 1.00 0.00 C ATOM 568 O PHE A 39 26.908 -25.162 -4.108 1.00 0.00 O ATOM 569 CB PHE A 39 23.900 -24.139 -4.774 1.00 0.00 C ATOM 570 CG PHE A 39 24.599 -23.001 -4.086 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.508 -22.844 -2.712 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.348 -22.089 -4.813 1.00 0.00 C ATOM 573 CE1 PHE A 39 25.149 -21.797 -2.077 1.00 0.00 C ATOM 574 CE2 PHE A 39 25.991 -21.041 -4.183 1.00 0.00 C ATOM 575 CZ PHE A 39 25.893 -20.895 -2.813 1.00 0.00 C ATOM 0 H PHE A 39 25.116 -25.489 -2.518 1.00 0.00 H new ATOM 0 HA PHE A 39 24.078 -26.244 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.864 -23.938 -5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.869 -24.187 -4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.930 -23.547 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.430 -22.199 -5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 39 25.068 -21.684 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.570 -20.336 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.397 -20.078 -2.318 1.00 0.00 H new ATOM 585 N ARG A 40 26.313 -25.660 -6.220 1.00 0.00 N ATOM 586 CA ARG A 40 27.679 -25.625 -6.729 1.00 0.00 C ATOM 587 C ARG A 40 27.880 -24.435 -7.664 1.00 0.00 C ATOM 588 O ARG A 40 26.964 -24.034 -8.381 1.00 0.00 O ATOM 589 CB ARG A 40 28.006 -26.926 -7.465 1.00 0.00 C ATOM 590 CG ARG A 40 29.342 -26.897 -8.188 1.00 0.00 C ATOM 591 CD ARG A 40 29.476 -28.062 -9.157 1.00 0.00 C ATOM 592 NE ARG A 40 29.691 -27.610 -10.529 1.00 0.00 N ATOM 593 CZ ARG A 40 30.169 -28.389 -11.493 1.00 0.00 C ATOM 594 NH1 ARG A 40 30.480 -29.653 -11.236 1.00 0.00 N ATOM 595 NH2 ARG A 40 30.338 -27.906 -12.717 1.00 0.00 N ATOM 0 H ARG A 40 25.606 -25.877 -6.923 1.00 0.00 H new ATOM 0 HA ARG A 40 28.354 -25.517 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 40 28.008 -27.748 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.216 -27.134 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.443 -25.957 -8.731 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.152 -26.933 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 40 30.308 -28.696 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.576 -28.675 -9.114 1.00 0.00 H new ATOM 0 HE ARG A 40 29.462 -26.643 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 40 30.352 -30.029 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.847 -30.249 -11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.101 -26.935 -12.919 1.00 0.00 H new ATOM 0 HH22 ARG A 40 30.705 -28.506 -13.456 1.00 0.00 H new ATOM 609 N VAL A 41 29.085 -23.875 -7.649 1.00 0.00 N ATOM 610 CA VAL A 41 29.407 -22.732 -8.495 1.00 0.00 C ATOM 611 C VAL A 41 30.008 -23.182 -9.822 1.00 0.00 C ATOM 612 O VAL A 41 31.227 -23.197 -9.991 1.00 0.00 O ATOM 613 CB VAL A 41 30.393 -21.776 -7.796 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.733 -20.603 -8.703 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.816 -21.290 -6.475 1.00 0.00 C ATOM 0 H VAL A 41 29.854 -24.194 -7.060 1.00 0.00 H new ATOM 0 HA VAL A 41 28.472 -22.204 -8.683 1.00 0.00 H new ATOM 0 HB VAL A 41 31.314 -22.320 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.430 -19.939 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.190 -20.973 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.822 -20.056 -8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.525 -20.616 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.881 -20.762 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.629 -22.144 -5.824 1.00 0.00 H new ATOM 625 N VAL A 42 29.143 -23.550 -10.762 1.00 0.00 N ATOM 626 CA VAL A 42 29.587 -23.999 -12.076 1.00 0.00 C ATOM 627 C VAL A 42 30.586 -23.020 -12.684 1.00 0.00 C ATOM 628 O VAL A 42 31.659 -23.414 -13.141 1.00 0.00 O ATOM 629 CB VAL A 42 28.400 -24.170 -13.042 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.887 -24.605 -14.416 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.397 -25.168 -12.482 1.00 0.00 C ATOM 0 H VAL A 42 28.131 -23.546 -10.638 1.00 0.00 H new ATOM 0 HA VAL A 42 30.071 -24.965 -11.932 1.00 0.00 H new ATOM 0 HB VAL A 42 27.900 -23.208 -13.149 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.034 -24.721 -15.085 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.563 -23.851 -14.818 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.413 -25.556 -14.331 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.565 -25.277 -13.177 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.883 -26.134 -12.344 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.024 -24.809 -11.523 1.00 0.00 H new ATOM 641 N LYS A 43 30.225 -21.741 -12.685 1.00 0.00 N ATOM 642 CA LYS A 43 31.089 -20.703 -13.235 1.00 0.00 C ATOM 643 C LYS A 43 31.530 -19.730 -12.146 1.00 0.00 C ATOM 644 O LYS A 43 30.748 -18.892 -11.695 1.00 0.00 O ATOM 645 CB LYS A 43 30.364 -19.945 -14.349 1.00 0.00 C ATOM 646 CG LYS A 43 30.019 -20.810 -15.548 1.00 0.00 C ATOM 647 CD LYS A 43 29.001 -20.132 -16.450 1.00 0.00 C ATOM 648 CE LYS A 43 28.847 -20.870 -17.771 1.00 0.00 C ATOM 649 NZ LYS A 43 29.843 -20.414 -18.780 1.00 0.00 N ATOM 0 H LYS A 43 29.340 -21.399 -12.311 1.00 0.00 H new ATOM 0 HA LYS A 43 31.975 -21.184 -13.649 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.447 -19.514 -13.947 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.989 -19.115 -14.678 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.924 -21.024 -16.116 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.624 -21.767 -15.206 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.037 -20.087 -15.943 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.310 -19.104 -16.640 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.963 -21.941 -17.604 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.840 -20.715 -18.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.705 -20.941 -19.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.716 -19.397 -18.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.804 -20.585 -18.421 1.00 0.00 H new ATOM 663 N SER A 44 32.787 -19.845 -11.729 1.00 0.00 N ATOM 664 CA SER A 44 33.330 -18.976 -10.692 1.00 0.00 C ATOM 665 C SER A 44 33.672 -17.601 -11.259 1.00 0.00 C ATOM 666 O SER A 44 33.865 -16.642 -10.513 1.00 0.00 O ATOM 667 CB SER A 44 34.577 -19.608 -10.069 1.00 0.00 C ATOM 668 OG SER A 44 35.615 -19.735 -11.025 1.00 0.00 O ATOM 0 H SER A 44 33.448 -20.531 -12.093 1.00 0.00 H new ATOM 0 HA SER A 44 32.570 -18.853 -9.921 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.920 -18.997 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.328 -20.589 -9.665 1.00 0.00 H new ATOM 0 HG SER A 44 36.401 -20.140 -10.602 1.00 0.00 H new ATOM 674 N GLU A 45 33.746 -17.516 -12.583 1.00 0.00 N ATOM 675 CA GLU A 45 34.065 -16.259 -13.250 1.00 0.00 C ATOM 676 C GLU A 45 32.797 -15.465 -13.550 1.00 0.00 C ATOM 677 O GLU A 45 32.754 -14.250 -13.360 1.00 0.00 O ATOM 678 CB GLU A 45 34.832 -16.525 -14.547 1.00 0.00 C ATOM 679 CG GLU A 45 34.037 -17.314 -15.574 1.00 0.00 C ATOM 680 CD GLU A 45 34.916 -18.186 -16.448 1.00 0.00 C ATOM 681 OE1 GLU A 45 35.480 -19.171 -15.928 1.00 0.00 O ATOM 682 OE2 GLU A 45 35.040 -17.884 -17.654 1.00 0.00 O ATOM 0 H GLU A 45 33.590 -18.301 -13.215 1.00 0.00 H new ATOM 0 HA GLU A 45 34.691 -15.670 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.130 -15.572 -14.985 1.00 0.00 H new ATOM 0 HB3 GLU A 45 35.747 -17.069 -14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.307 -17.940 -15.060 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.477 -16.623 -16.204 1.00 0.00 H new ATOM 689 N ALA A 46 31.767 -16.161 -14.021 1.00 0.00 N ATOM 690 CA ALA A 46 30.498 -15.522 -14.346 1.00 0.00 C ATOM 691 C ALA A 46 29.780 -15.055 -13.085 1.00 0.00 C ATOM 692 O ALA A 46 29.153 -13.995 -13.072 1.00 0.00 O ATOM 693 CB ALA A 46 29.615 -16.475 -15.137 1.00 0.00 C ATOM 0 H ALA A 46 31.787 -17.167 -14.186 1.00 0.00 H new ATOM 0 HA ALA A 46 30.707 -14.645 -14.959 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.670 -15.985 -15.373 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.119 -16.755 -16.062 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.422 -17.369 -14.544 1.00 0.00 H new ATOM 699 N LEU A 47 29.874 -15.852 -12.027 1.00 0.00 N ATOM 700 CA LEU A 47 29.232 -15.520 -10.759 1.00 0.00 C ATOM 701 C LEU A 47 29.757 -14.197 -10.213 1.00 0.00 C ATOM 702 O LEU A 47 28.983 -13.333 -9.801 1.00 0.00 O ATOM 703 CB LEU A 47 29.467 -16.636 -9.739 1.00 0.00 C ATOM 704 CG LEU A 47 28.702 -16.511 -8.421 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.212 -16.713 -8.647 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.229 -17.511 -7.402 1.00 0.00 C ATOM 0 H LEU A 47 30.388 -16.733 -12.021 1.00 0.00 H new ATOM 0 HA LEU A 47 28.161 -15.418 -10.937 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.201 -17.586 -10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.533 -16.678 -9.515 1.00 0.00 H new ATOM 0 HG LEU A 47 28.856 -15.506 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.684 -16.620 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.844 -15.958 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.038 -17.705 -9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 47 28.673 -17.408 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.106 -18.523 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.286 -17.319 -7.217 1.00 0.00 H new ATOM 718 N ALA A 48 31.078 -14.044 -10.214 1.00 0.00 N ATOM 719 CA ALA A 48 31.706 -12.824 -9.722 1.00 0.00 C ATOM 720 C ALA A 48 31.457 -11.657 -10.672 1.00 0.00 C ATOM 721 O ALA A 48 31.075 -10.567 -10.246 1.00 0.00 O ATOM 722 CB ALA A 48 33.200 -13.041 -9.529 1.00 0.00 C ATOM 0 H ALA A 48 31.733 -14.750 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 48 31.258 -12.576 -8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.657 -12.122 -9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.361 -13.841 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.654 -13.316 -10.481 1.00 0.00 H new ATOM 728 N LYS A 49 31.677 -11.892 -11.961 1.00 0.00 N ATOM 729 CA LYS A 49 31.477 -10.861 -12.972 1.00 0.00 C ATOM 730 C LYS A 49 30.108 -10.207 -12.818 1.00 0.00 C ATOM 731 O LYS A 49 29.988 -8.982 -12.847 1.00 0.00 O ATOM 732 CB LYS A 49 31.613 -11.460 -14.374 1.00 0.00 C ATOM 733 CG LYS A 49 32.913 -11.093 -15.069 1.00 0.00 C ATOM 734 CD LYS A 49 33.172 -11.983 -16.273 1.00 0.00 C ATOM 735 CE LYS A 49 34.209 -11.374 -17.203 1.00 0.00 C ATOM 736 NZ LYS A 49 33.709 -11.275 -18.603 1.00 0.00 N ATOM 0 H LYS A 49 31.994 -12.788 -12.330 1.00 0.00 H new ATOM 0 HA LYS A 49 32.243 -10.098 -12.834 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.542 -12.545 -14.305 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.776 -11.124 -14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.875 -10.051 -15.387 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.741 -11.182 -14.365 1.00 0.00 H new ATOM 0 HD2 LYS A 49 33.514 -12.962 -15.936 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.241 -12.140 -16.818 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.481 -10.382 -16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 49 35.115 -11.980 -17.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 34.445 -10.855 -19.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 33.473 -12.225 -18.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 32.859 -10.676 -18.627 1.00 0.00 H new ATOM 750 N MET A 50 29.078 -11.031 -12.652 1.00 0.00 N ATOM 751 CA MET A 50 27.718 -10.531 -12.490 1.00 0.00 C ATOM 752 C MET A 50 27.555 -9.823 -11.149 1.00 0.00 C ATOM 753 O MET A 50 26.912 -8.778 -11.062 1.00 0.00 O ATOM 754 CB MET A 50 26.713 -11.679 -12.600 1.00 0.00 C ATOM 755 CG MET A 50 26.191 -11.897 -14.011 1.00 0.00 C ATOM 756 SD MET A 50 24.501 -11.308 -14.225 1.00 0.00 S ATOM 757 CE MET A 50 23.646 -12.275 -12.983 1.00 0.00 C ATOM 0 H MET A 50 29.160 -12.047 -12.626 1.00 0.00 H new ATOM 0 HA MET A 50 27.525 -9.812 -13.286 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.184 -12.598 -12.250 1.00 0.00 H new ATOM 0 HB3 MET A 50 25.871 -11.479 -11.937 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.843 -11.384 -14.719 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.234 -12.960 -14.250 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.662 -12.558 -13.356 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.222 -13.173 -12.761 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.533 -11.683 -12.075 1.00 0.00 H new ATOM 767 N TRP A 51 28.141 -10.401 -10.106 1.00 0.00 N ATOM 768 CA TRP A 51 28.059 -9.825 -8.768 1.00 0.00 C ATOM 769 C TRP A 51 28.614 -8.405 -8.752 1.00 0.00 C ATOM 770 O TRP A 51 27.941 -7.470 -8.322 1.00 0.00 O ATOM 771 CB TRP A 51 28.823 -10.695 -7.769 1.00 0.00 C ATOM 772 CG TRP A 51 28.923 -10.084 -6.404 1.00 0.00 C ATOM 773 CD1 TRP A 51 30.053 -9.944 -5.650 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.852 -9.532 -5.631 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.749 -9.338 -4.455 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.405 -9.074 -4.419 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.480 -9.377 -5.846 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.633 -8.475 -3.428 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.714 -8.783 -4.861 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.292 -8.337 -3.665 1.00 0.00 C ATOM 0 H TRP A 51 28.677 -11.267 -10.161 1.00 0.00 H new ATOM 0 HA TRP A 51 27.009 -9.788 -8.479 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.330 -11.664 -7.690 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.827 -10.879 -8.151 1.00 0.00 H new ATOM 0 HD1 TRP A 51 31.041 -10.263 -5.949 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.416 -9.120 -3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 51 26.026 -9.715 -6.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.076 -8.131 -2.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.652 -8.661 -5.016 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.667 -7.875 -2.915 1.00 0.00 H new ATOM 791 N GLY A 52 29.848 -8.251 -9.225 1.00 0.00 N ATOM 792 CA GLY A 52 30.472 -6.941 -9.256 1.00 0.00 C ATOM 793 C GLY A 52 29.548 -5.871 -9.804 1.00 0.00 C ATOM 794 O GLY A 52 29.402 -4.804 -9.209 1.00 0.00 O ATOM 0 H GLY A 52 30.426 -9.010 -9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.783 -6.666 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.374 -6.986 -9.867 1.00 0.00 H new ATOM 798 N GLN A 53 28.925 -6.157 -10.943 1.00 0.00 N ATOM 799 CA GLN A 53 28.012 -5.209 -11.572 1.00 0.00 C ATOM 800 C GLN A 53 26.998 -4.679 -10.565 1.00 0.00 C ATOM 801 O GLN A 53 26.656 -3.497 -10.577 1.00 0.00 O ATOM 802 CB GLN A 53 27.286 -5.870 -12.745 1.00 0.00 C ATOM 803 CG GLN A 53 28.216 -6.319 -13.861 1.00 0.00 C ATOM 804 CD GLN A 53 28.277 -5.325 -15.005 1.00 0.00 C ATOM 805 OE1 GLN A 53 27.259 -5.005 -15.619 1.00 0.00 O ATOM 806 NE2 GLN A 53 29.474 -4.831 -15.297 1.00 0.00 N ATOM 0 H GLN A 53 29.035 -7.036 -11.448 1.00 0.00 H new ATOM 0 HA GLN A 53 28.600 -4.370 -11.944 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.730 -6.732 -12.378 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.556 -5.170 -13.151 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.218 -6.465 -13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.882 -7.284 -14.241 1.00 0.00 H new ATOM 0 HE21 GLN A 53 30.291 -5.124 -14.762 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.577 -4.158 -16.057 1.00 0.00 H new ATOM 815 N ARG A 54 26.519 -5.562 -9.694 1.00 0.00 N ATOM 816 CA ARG A 54 25.542 -5.183 -8.680 1.00 0.00 C ATOM 817 C ARG A 54 26.142 -4.186 -7.693 1.00 0.00 C ATOM 818 O ARG A 54 25.460 -3.276 -7.221 1.00 0.00 O ATOM 819 CB ARG A 54 25.045 -6.421 -7.932 1.00 0.00 C ATOM 820 CG ARG A 54 24.817 -7.625 -8.831 1.00 0.00 C ATOM 821 CD ARG A 54 23.928 -7.277 -10.014 1.00 0.00 C ATOM 822 NE ARG A 54 22.509 -7.395 -9.687 1.00 0.00 N ATOM 823 CZ ARG A 54 21.532 -7.051 -10.517 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.818 -6.569 -11.719 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.265 -7.188 -10.147 1.00 0.00 N ATOM 0 H ARG A 54 26.792 -6.545 -9.670 1.00 0.00 H new ATOM 0 HA ARG A 54 24.699 -4.708 -9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.770 -6.685 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.113 -6.177 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.776 -7.997 -9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.359 -8.429 -8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.141 -6.259 -10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.163 -7.936 -10.850 1.00 0.00 H new ATOM 0 HE ARG A 54 22.255 -7.762 -8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.791 -6.462 -12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.065 -6.305 -12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.041 -7.558 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.516 -6.923 -10.786 1.00 0.00 H new ATOM 839 N LYS A 55 27.422 -4.364 -7.385 1.00 0.00 N ATOM 840 CA LYS A 55 28.115 -3.480 -6.455 1.00 0.00 C ATOM 841 C LYS A 55 29.015 -2.501 -7.202 1.00 0.00 C ATOM 842 O LYS A 55 29.878 -1.857 -6.606 1.00 0.00 O ATOM 843 CB LYS A 55 28.946 -4.299 -5.464 1.00 0.00 C ATOM 844 CG LYS A 55 28.112 -5.199 -4.569 1.00 0.00 C ATOM 845 CD LYS A 55 28.244 -4.809 -3.107 1.00 0.00 C ATOM 846 CE LYS A 55 26.904 -4.866 -2.391 1.00 0.00 C ATOM 847 NZ LYS A 55 26.971 -5.689 -1.151 1.00 0.00 N ATOM 0 H LYS A 55 28.001 -5.113 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 55 27.364 -2.910 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.658 -4.911 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.527 -3.619 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.065 -5.142 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.425 -6.235 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.950 -5.477 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 55 28.654 -3.802 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.584 -3.855 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.151 -5.281 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.038 -5.703 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 27.252 -6.661 -1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.671 -5.279 -0.500 1.00 0.00 H new ATOM 861 N LYS A 56 28.807 -2.394 -8.510 1.00 0.00 N ATOM 862 CA LYS A 56 29.597 -1.492 -9.339 1.00 0.00 C ATOM 863 C LYS A 56 31.089 -1.708 -9.109 1.00 0.00 C ATOM 864 O LYS A 56 31.880 -0.768 -9.183 1.00 0.00 O ATOM 865 CB LYS A 56 29.229 -0.037 -9.040 1.00 0.00 C ATOM 866 CG LYS A 56 28.676 0.711 -10.241 1.00 0.00 C ATOM 867 CD LYS A 56 27.517 1.613 -9.851 1.00 0.00 C ATOM 868 CE LYS A 56 27.667 3.003 -10.451 1.00 0.00 C ATOM 869 NZ LYS A 56 26.347 3.616 -10.767 1.00 0.00 N ATOM 0 H LYS A 56 28.097 -2.921 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 56 29.373 -1.709 -10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.491 -0.015 -8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 56 30.113 0.484 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 56 29.467 1.309 -10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 56 28.345 -0.003 -10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 56 26.580 1.169 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 56 27.462 1.688 -8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 56 28.207 3.643 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 56 28.267 2.944 -11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.492 4.562 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.842 3.018 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.784 3.696 -9.896 1.00 0.00 H new ATOM 883 N ASN A 57 31.467 -2.951 -8.831 1.00 0.00 N ATOM 884 CA ASN A 57 32.865 -3.290 -8.591 1.00 0.00 C ATOM 885 C ASN A 57 33.521 -3.824 -9.861 1.00 0.00 C ATOM 886 O ASN A 57 33.573 -5.033 -10.085 1.00 0.00 O ATOM 887 CB ASN A 57 32.975 -4.328 -7.472 1.00 0.00 C ATOM 888 CG ASN A 57 34.387 -4.855 -7.310 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.243 -4.644 -8.169 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.637 -5.546 -6.203 1.00 0.00 N ATOM 0 H ASN A 57 30.825 -3.741 -8.766 1.00 0.00 H new ATOM 0 HA ASN A 57 33.386 -2.382 -8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.646 -3.882 -6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.302 -5.159 -7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.569 -5.926 -6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 57 33.897 -5.697 -5.518 1.00 0.00 H new ATOM 897 N ASP A 58 34.021 -2.913 -10.689 1.00 0.00 N ATOM 898 CA ASP A 58 34.676 -3.291 -11.936 1.00 0.00 C ATOM 899 C ASP A 58 35.795 -4.295 -11.680 1.00 0.00 C ATOM 900 O ASP A 58 36.180 -5.052 -12.571 1.00 0.00 O ATOM 901 CB ASP A 58 35.235 -2.054 -12.639 1.00 0.00 C ATOM 902 CG ASP A 58 34.195 -0.963 -12.805 1.00 0.00 C ATOM 903 OD1 ASP A 58 33.172 -1.215 -13.475 1.00 0.00 O ATOM 904 OD2 ASP A 58 34.405 0.143 -12.264 1.00 0.00 O ATOM 0 H ASP A 58 33.985 -1.908 -10.519 1.00 0.00 H new ATOM 0 HA ASP A 58 33.932 -3.760 -12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.078 -1.665 -12.068 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.618 -2.339 -13.619 1.00 0.00 H new ATOM 909 N ARG A 59 36.314 -4.295 -10.456 1.00 0.00 N ATOM 910 CA ARG A 59 37.391 -5.204 -10.083 1.00 0.00 C ATOM 911 C ARG A 59 36.865 -6.344 -9.215 1.00 0.00 C ATOM 912 O ARG A 59 37.507 -6.747 -8.247 1.00 0.00 O ATOM 913 CB ARG A 59 38.491 -4.447 -9.337 1.00 0.00 C ATOM 914 CG ARG A 59 37.993 -3.708 -8.105 1.00 0.00 C ATOM 915 CD ARG A 59 39.148 -3.219 -7.245 1.00 0.00 C ATOM 916 NE ARG A 59 38.930 -3.496 -5.827 1.00 0.00 N ATOM 917 CZ ARG A 59 39.567 -2.864 -4.848 1.00 0.00 C ATOM 918 NH1 ARG A 59 40.457 -1.923 -5.131 1.00 0.00 N ATOM 919 NH2 ARG A 59 39.314 -3.172 -3.583 1.00 0.00 N ATOM 0 H ARG A 59 36.006 -3.676 -9.706 1.00 0.00 H new ATOM 0 HA ARG A 59 37.807 -5.628 -10.997 1.00 0.00 H new ATOM 0 HB2 ARG A 59 39.267 -5.152 -9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.954 -3.732 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 59 37.381 -2.860 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.354 -4.367 -7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 59 40.071 -3.699 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 59 39.279 -2.146 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 59 38.251 -4.214 -5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 59 40.654 -1.683 -6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 59 40.945 -1.439 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 59 38.630 -3.895 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 59 39.804 -2.686 -2.832 1.00 0.00 H new ATOM 933 N MET A 60 35.691 -6.857 -9.570 1.00 0.00 N ATOM 934 CA MET A 60 35.079 -7.950 -8.824 1.00 0.00 C ATOM 935 C MET A 60 35.476 -9.300 -9.413 1.00 0.00 C ATOM 936 O MET A 60 35.391 -9.511 -10.624 1.00 0.00 O ATOM 937 CB MET A 60 33.556 -7.808 -8.827 1.00 0.00 C ATOM 938 CG MET A 60 32.833 -8.993 -8.208 1.00 0.00 C ATOM 939 SD MET A 60 33.398 -9.354 -6.534 1.00 0.00 S ATOM 940 CE MET A 60 32.403 -8.205 -5.586 1.00 0.00 C ATOM 0 H MET A 60 35.145 -6.533 -10.369 1.00 0.00 H new ATOM 0 HA MET A 60 35.440 -7.901 -7.796 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.283 -6.903 -8.285 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.213 -7.680 -9.854 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.762 -8.791 -8.190 1.00 0.00 H new ATOM 0 HG3 MET A 60 32.981 -9.872 -8.835 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.035 -8.699 -4.686 1.00 0.00 H new ATOM 0 HE2 MET A 60 33.010 -7.344 -5.305 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.558 -7.872 -6.189 1.00 0.00 H new ATOM 950 N THR A 61 35.910 -10.213 -8.550 1.00 0.00 N ATOM 951 CA THR A 61 36.322 -11.542 -8.985 1.00 0.00 C ATOM 952 C THR A 61 36.105 -12.573 -7.883 1.00 0.00 C ATOM 953 O THR A 61 36.182 -12.253 -6.696 1.00 0.00 O ATOM 954 CB THR A 61 37.803 -11.561 -9.407 1.00 0.00 C ATOM 955 OG1 THR A 61 38.155 -12.859 -9.899 1.00 0.00 O ATOM 956 CG2 THR A 61 38.704 -11.195 -8.237 1.00 0.00 C ATOM 0 H THR A 61 35.985 -10.056 -7.545 1.00 0.00 H new ATOM 0 HA THR A 61 35.704 -11.799 -9.845 1.00 0.00 H new ATOM 0 HB THR A 61 37.943 -10.823 -10.197 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.098 -12.863 -10.167 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.745 -11.215 -8.559 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.453 -10.195 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.560 -11.912 -7.429 1.00 0.00 H new ATOM 964 N TYR A 62 35.836 -13.811 -8.282 1.00 0.00 N ATOM 965 CA TYR A 62 35.607 -14.889 -7.328 1.00 0.00 C ATOM 966 C TYR A 62 36.545 -14.765 -6.131 1.00 0.00 C ATOM 967 O TYR A 62 36.104 -14.746 -4.982 1.00 0.00 O ATOM 968 CB TYR A 62 35.802 -16.247 -8.004 1.00 0.00 C ATOM 969 CG TYR A 62 35.111 -17.385 -7.287 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.771 -17.296 -6.930 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.798 -18.550 -6.968 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.136 -18.333 -6.275 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.170 -19.592 -6.313 1.00 0.00 C ATOM 974 CZ TYR A 62 33.840 -19.479 -5.969 1.00 0.00 C ATOM 975 OH TYR A 62 33.210 -20.515 -5.317 1.00 0.00 O ATOM 0 H TYR A 62 35.771 -14.093 -9.260 1.00 0.00 H new ATOM 0 HA TYR A 62 34.580 -14.812 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.427 -16.192 -9.026 1.00 0.00 H new ATOM 0 HB3 TYR A 62 36.869 -16.462 -8.067 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.217 -16.401 -7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.840 -18.643 -7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.094 -18.247 -6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.718 -20.491 -6.072 1.00 0.00 H new ATOM 0 HH TYR A 62 33.408 -20.467 -4.358 1.00 0.00 H new ATOM 985 N GLU A 63 37.842 -14.681 -6.410 1.00 0.00 N ATOM 986 CA GLU A 63 38.843 -14.559 -5.357 1.00 0.00 C ATOM 987 C GLU A 63 38.383 -13.583 -4.278 1.00 0.00 C ATOM 988 O GLU A 63 38.573 -13.821 -3.086 1.00 0.00 O ATOM 989 CB GLU A 63 40.179 -14.097 -5.943 1.00 0.00 C ATOM 990 CG GLU A 63 40.956 -15.203 -6.635 1.00 0.00 C ATOM 991 CD GLU A 63 42.378 -14.797 -6.969 1.00 0.00 C ATOM 992 OE1 GLU A 63 43.245 -14.883 -6.074 1.00 0.00 O ATOM 993 OE2 GLU A 63 42.624 -14.392 -8.125 1.00 0.00 O ATOM 0 H GLU A 63 38.224 -14.695 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 63 38.975 -15.541 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.995 -13.293 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.792 -13.680 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.975 -16.084 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.439 -15.487 -7.551 1.00 0.00 H new ATOM 1000 N LYS A 64 37.776 -12.481 -4.707 1.00 0.00 N ATOM 1001 CA LYS A 64 37.286 -11.467 -3.781 1.00 0.00 C ATOM 1002 C LYS A 64 35.884 -11.810 -3.289 1.00 0.00 C ATOM 1003 O LYS A 64 35.624 -11.827 -2.085 1.00 0.00 O ATOM 1004 CB LYS A 64 37.280 -10.092 -4.454 1.00 0.00 C ATOM 1005 CG LYS A 64 38.653 -9.636 -4.917 1.00 0.00 C ATOM 1006 CD LYS A 64 38.600 -8.247 -5.531 1.00 0.00 C ATOM 1007 CE LYS A 64 39.852 -7.949 -6.343 1.00 0.00 C ATOM 1008 NZ LYS A 64 40.896 -7.273 -5.524 1.00 0.00 N ATOM 0 H LYS A 64 37.612 -12.268 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 64 37.957 -11.442 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.607 -10.119 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 64 36.878 -9.357 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.342 -9.636 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 64 39.045 -10.343 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.722 -8.164 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.491 -7.503 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.253 -8.879 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 64 39.592 -7.318 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 41.733 -7.087 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 40.523 -6.374 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.163 -7.886 -4.727 1.00 0.00 H new ATOM 1022 N LEU A 65 34.984 -12.085 -4.227 1.00 0.00 N ATOM 1023 CA LEU A 65 33.608 -12.430 -3.889 1.00 0.00 C ATOM 1024 C LEU A 65 33.564 -13.428 -2.736 1.00 0.00 C ATOM 1025 O LEU A 65 32.786 -13.269 -1.795 1.00 0.00 O ATOM 1026 CB LEU A 65 32.893 -13.013 -5.110 1.00 0.00 C ATOM 1027 CG LEU A 65 31.486 -13.561 -4.865 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.566 -13.205 -6.022 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.530 -15.069 -4.661 1.00 0.00 C ATOM 0 H LEU A 65 35.183 -12.076 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 65 33.097 -11.519 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.832 -12.238 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.508 -13.815 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 65 31.090 -13.103 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.570 -13.603 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.511 -12.121 -6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 65 30.957 -13.635 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.521 -15.442 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 65 31.945 -15.544 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.156 -15.301 -3.799 1.00 0.00 H new ATOM 1041 N SER A 66 34.405 -14.454 -2.816 1.00 0.00 N ATOM 1042 CA SER A 66 34.461 -15.478 -1.779 1.00 0.00 C ATOM 1043 C SER A 66 34.526 -14.845 -0.393 1.00 0.00 C ATOM 1044 O SER A 66 33.958 -15.367 0.567 1.00 0.00 O ATOM 1045 CB SER A 66 35.673 -16.386 -1.995 1.00 0.00 C ATOM 1046 OG SER A 66 36.864 -15.762 -1.548 1.00 0.00 O ATOM 0 H SER A 66 35.057 -14.598 -3.587 1.00 0.00 H new ATOM 0 HA SER A 66 33.552 -16.076 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 66 35.528 -17.325 -1.460 1.00 0.00 H new ATOM 0 HB3 SER A 66 35.763 -16.632 -3.053 1.00 0.00 H new ATOM 0 HG SER A 66 37.213 -15.179 -2.254 1.00 0.00 H new ATOM 1052 N ARG A 67 35.222 -13.717 -0.296 1.00 0.00 N ATOM 1053 CA ARG A 67 35.364 -13.013 0.972 1.00 0.00 C ATOM 1054 C ARG A 67 34.048 -13.017 1.746 1.00 0.00 C ATOM 1055 O ARG A 67 34.034 -13.193 2.964 1.00 0.00 O ATOM 1056 CB ARG A 67 35.822 -11.573 0.732 1.00 0.00 C ATOM 1057 CG ARG A 67 34.686 -10.620 0.399 1.00 0.00 C ATOM 1058 CD ARG A 67 35.143 -9.171 0.444 1.00 0.00 C ATOM 1059 NE ARG A 67 34.037 -8.256 0.712 1.00 0.00 N ATOM 1060 CZ ARG A 67 33.232 -7.780 -0.232 1.00 0.00 C ATOM 1061 NH1 ARG A 67 33.409 -8.130 -1.498 1.00 0.00 N ATOM 1062 NH2 ARG A 67 32.247 -6.951 0.091 1.00 0.00 N ATOM 0 H ARG A 67 35.697 -13.271 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 67 36.117 -13.532 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.339 -11.212 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.545 -11.562 -0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.296 -10.849 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 67 33.868 -10.767 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 67 35.904 -9.055 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 67 35.609 -8.908 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 67 33.873 -7.966 1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 67 34.165 -8.767 -1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 67 32.789 -7.763 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 67 32.108 -6.679 1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 67 31.629 -6.586 -0.634 1.00 0.00 H new ATOM 1076 N ALA A 68 32.946 -12.822 1.030 1.00 0.00 N ATOM 1077 CA ALA A 68 31.626 -12.805 1.648 1.00 0.00 C ATOM 1078 C ALA A 68 31.124 -14.220 1.910 1.00 0.00 C ATOM 1079 O ALA A 68 30.376 -14.460 2.859 1.00 0.00 O ATOM 1080 CB ALA A 68 30.642 -12.047 0.770 1.00 0.00 C ATOM 0 H ALA A 68 32.941 -12.673 0.021 1.00 0.00 H new ATOM 0 HA ALA A 68 31.708 -12.294 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.660 -12.042 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 68 30.987 -11.021 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.573 -12.534 -0.203 1.00 0.00 H new ATOM 1086 N LEU A 69 31.539 -15.156 1.063 1.00 0.00 N ATOM 1087 CA LEU A 69 31.130 -16.549 1.201 1.00 0.00 C ATOM 1088 C LEU A 69 31.730 -17.170 2.459 1.00 0.00 C ATOM 1089 O LEU A 69 31.078 -17.956 3.147 1.00 0.00 O ATOM 1090 CB LEU A 69 31.555 -17.351 -0.030 1.00 0.00 C ATOM 1091 CG LEU A 69 31.030 -16.846 -1.374 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.523 -17.732 -2.507 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.509 -16.786 -1.364 1.00 0.00 C ATOM 0 H LEU A 69 32.159 -14.975 0.273 1.00 0.00 H new ATOM 0 HA LEU A 69 30.044 -16.576 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.644 -17.366 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.226 -18.382 0.102 1.00 0.00 H new ATOM 0 HG LEU A 69 31.412 -15.838 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.139 -17.357 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.613 -17.723 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.171 -18.752 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.153 -16.424 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.107 -17.782 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.177 -16.109 -0.577 1.00 0.00 H new ATOM 1105 N ARG A 70 32.975 -16.811 2.754 1.00 0.00 N ATOM 1106 CA ARG A 70 33.662 -17.332 3.929 1.00 0.00 C ATOM 1107 C ARG A 70 33.341 -16.494 5.163 1.00 0.00 C ATOM 1108 O ARG A 70 33.446 -16.970 6.294 1.00 0.00 O ATOM 1109 CB ARG A 70 35.174 -17.354 3.694 1.00 0.00 C ATOM 1110 CG ARG A 70 35.588 -18.154 2.469 1.00 0.00 C ATOM 1111 CD ARG A 70 36.017 -19.564 2.844 1.00 0.00 C ATOM 1112 NE ARG A 70 37.154 -20.020 2.050 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.388 -19.549 2.195 1.00 0.00 C ATOM 1114 NH1 ARG A 70 38.641 -18.613 3.100 1.00 0.00 N ATOM 1115 NH2 ARG A 70 39.371 -20.013 1.435 1.00 0.00 N ATOM 0 H ARG A 70 33.528 -16.161 2.195 1.00 0.00 H new ATOM 0 HA ARG A 70 33.313 -18.350 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.532 -16.330 3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.664 -17.772 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.757 -18.200 1.765 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.408 -17.646 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.278 -19.594 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 70 35.179 -20.247 2.703 1.00 0.00 H new ATOM 0 HE ARG A 70 36.992 -20.740 1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 70 37.888 -18.253 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 70 39.589 -18.253 3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 70 39.180 -20.733 0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 70 40.318 -19.650 1.548 1.00 0.00 H new ATOM 1129 N TYR A 71 32.950 -15.245 4.938 1.00 0.00 N ATOM 1130 CA TYR A 71 32.616 -14.340 6.031 1.00 0.00 C ATOM 1131 C TYR A 71 31.204 -14.604 6.545 1.00 0.00 C ATOM 1132 O TYR A 71 30.837 -14.169 7.637 1.00 0.00 O ATOM 1133 CB TYR A 71 32.740 -12.886 5.573 1.00 0.00 C ATOM 1134 CG TYR A 71 32.433 -11.880 6.660 1.00 0.00 C ATOM 1135 CD1 TYR A 71 31.132 -11.448 6.886 1.00 0.00 C ATOM 1136 CD2 TYR A 71 33.444 -11.364 7.461 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.847 -10.529 7.877 1.00 0.00 C ATOM 1138 CE2 TYR A 71 33.168 -10.445 8.456 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.868 -10.031 8.659 1.00 0.00 C ATOM 1140 OH TYR A 71 31.588 -9.116 9.649 1.00 0.00 O ATOM 0 H TYR A 71 32.856 -14.836 4.008 1.00 0.00 H new ATOM 0 HA TYR A 71 33.319 -14.519 6.845 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.752 -12.715 5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.064 -12.719 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.330 -11.837 6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 71 34.463 -11.686 7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 71 29.830 -10.202 8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 71 33.965 -10.054 9.071 1.00 0.00 H new ATOM 0 HH TYR A 71 32.417 -8.867 10.108 1.00 0.00 H new ATOM 1150 N TYR A 72 30.417 -15.321 5.750 1.00 0.00 N ATOM 1151 CA TYR A 72 29.044 -15.642 6.123 1.00 0.00 C ATOM 1152 C TYR A 72 29.008 -16.771 7.148 1.00 0.00 C ATOM 1153 O TYR A 72 28.105 -16.838 7.983 1.00 0.00 O ATOM 1154 CB TYR A 72 28.237 -16.037 4.885 1.00 0.00 C ATOM 1155 CG TYR A 72 27.676 -14.856 4.125 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.039 -13.816 4.791 1.00 0.00 C ATOM 1157 CD2 TYR A 72 27.783 -14.780 2.742 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.525 -12.735 4.101 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.273 -13.702 2.044 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.645 -12.683 2.728 1.00 0.00 C ATOM 1161 OH TYR A 72 26.134 -11.608 2.037 1.00 0.00 O ATOM 0 H TYR A 72 30.706 -15.691 4.844 1.00 0.00 H new ATOM 0 HA TYR A 72 28.599 -14.754 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.873 -16.619 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.416 -16.686 5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 72 26.944 -13.853 5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.273 -15.577 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.032 -11.935 4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.366 -13.658 0.969 1.00 0.00 H new ATOM 0 HH TYR A 72 26.858 -10.984 1.821 1.00 0.00 H new ATOM 1171 N TYR A 73 29.997 -17.655 7.080 1.00 0.00 N ATOM 1172 CA TYR A 73 30.079 -18.783 8.001 1.00 0.00 C ATOM 1173 C TYR A 73 30.093 -18.304 9.449 1.00 0.00 C ATOM 1174 O TYR A 73 29.659 -19.015 10.355 1.00 0.00 O ATOM 1175 CB TYR A 73 31.331 -19.612 7.714 1.00 0.00 C ATOM 1176 CG TYR A 73 31.376 -20.178 6.312 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.254 -20.770 5.745 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.539 -20.120 5.555 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.290 -21.289 4.465 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.584 -20.634 4.274 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.457 -21.218 3.734 1.00 0.00 C ATOM 1182 OH TYR A 73 31.498 -21.733 2.458 1.00 0.00 O ATOM 0 H TYR A 73 30.753 -17.613 6.397 1.00 0.00 H new ATOM 0 HA TYR A 73 29.197 -19.406 7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.212 -18.991 7.874 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.385 -20.432 8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.338 -20.825 6.315 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.424 -19.665 5.975 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.409 -21.747 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.496 -20.579 3.698 1.00 0.00 H new ATOM 0 HH TYR A 73 31.531 -20.999 1.810 1.00 0.00 H new ATOM 1192 N LYS A 74 30.594 -17.091 9.659 1.00 0.00 N ATOM 1193 CA LYS A 74 30.665 -16.513 10.996 1.00 0.00 C ATOM 1194 C LYS A 74 29.268 -16.243 11.546 1.00 0.00 C ATOM 1195 O LYS A 74 28.974 -16.550 12.702 1.00 0.00 O ATOM 1196 CB LYS A 74 31.474 -15.215 10.970 1.00 0.00 C ATOM 1197 CG LYS A 74 32.719 -15.291 10.104 1.00 0.00 C ATOM 1198 CD LYS A 74 33.835 -14.417 10.652 1.00 0.00 C ATOM 1199 CE LYS A 74 35.120 -14.589 9.856 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.469 -13.357 9.095 1.00 0.00 N ATOM 0 H LYS A 74 30.957 -16.489 8.920 1.00 0.00 H new ATOM 0 HA LYS A 74 31.162 -17.230 11.649 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.838 -14.408 10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.765 -14.958 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 74 33.060 -16.325 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.476 -14.978 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.526 -13.372 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 74 34.016 -14.669 11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.936 -14.841 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 74 35.010 -15.424 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.138 -13.596 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 34.607 -12.949 8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 35.906 -12.665 9.736 1.00 0.00 H new ATOM 1214 N THR A 75 28.409 -15.667 10.710 1.00 0.00 N ATOM 1215 CA THR A 75 27.043 -15.356 11.113 1.00 0.00 C ATOM 1216 C THR A 75 26.128 -16.562 10.932 1.00 0.00 C ATOM 1217 O THR A 75 25.080 -16.660 11.569 1.00 0.00 O ATOM 1218 CB THR A 75 26.476 -14.171 10.308 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.277 -14.556 8.944 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.415 -12.976 10.371 1.00 0.00 C ATOM 0 H THR A 75 28.635 -15.407 9.750 1.00 0.00 H new ATOM 0 HA THR A 75 27.079 -15.085 12.168 1.00 0.00 H new ATOM 0 HB THR A 75 25.520 -13.886 10.748 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.905 -15.271 8.711 1.00 0.00 H new ATOM 0 HG21 THR A 75 26.994 -12.152 9.796 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.541 -12.667 11.409 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.384 -13.252 9.954 1.00 0.00 H new ATOM 1228 N GLY A 76 26.532 -17.480 10.058 1.00 0.00 N ATOM 1229 CA GLY A 76 25.737 -18.668 9.810 1.00 0.00 C ATOM 1230 C GLY A 76 25.039 -18.628 8.465 1.00 0.00 C ATOM 1231 O GLY A 76 24.603 -19.660 7.953 1.00 0.00 O ATOM 0 H GLY A 76 27.395 -17.422 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.379 -19.547 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.993 -18.775 10.599 1.00 0.00 H new ATOM 1235 N ILE A 77 24.931 -17.434 7.891 1.00 0.00 N ATOM 1236 CA ILE A 77 24.280 -17.264 6.598 1.00 0.00 C ATOM 1237 C ILE A 77 24.651 -18.394 5.644 1.00 0.00 C ATOM 1238 O ILE A 77 23.803 -18.906 4.911 1.00 0.00 O ATOM 1239 CB ILE A 77 24.656 -15.917 5.952 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.111 -14.757 6.787 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.125 -15.847 4.528 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.678 -14.397 6.460 1.00 0.00 C ATOM 0 H ILE A 77 25.286 -16.570 8.301 1.00 0.00 H new ATOM 0 HA ILE A 77 23.205 -17.283 6.780 1.00 0.00 H new ATOM 0 HB ILE A 77 25.743 -15.837 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.180 -15.017 7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.741 -13.881 6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.398 -14.890 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.556 -16.656 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.039 -15.945 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.358 -13.567 7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.606 -14.106 5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.036 -15.259 6.642 1.00 0.00 H new ATOM 1254 N LEU A 78 25.922 -18.780 5.658 1.00 0.00 N ATOM 1255 CA LEU A 78 26.406 -19.852 4.795 1.00 0.00 C ATOM 1256 C LEU A 78 26.901 -21.034 5.621 1.00 0.00 C ATOM 1257 O LEU A 78 27.120 -20.913 6.825 1.00 0.00 O ATOM 1258 CB LEU A 78 27.529 -19.339 3.892 1.00 0.00 C ATOM 1259 CG LEU A 78 27.101 -18.805 2.525 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.284 -18.180 1.802 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.488 -19.917 1.686 1.00 0.00 C ATOM 0 H LEU A 78 26.636 -18.367 6.258 1.00 0.00 H new ATOM 0 HA LEU A 78 25.575 -20.189 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.059 -18.546 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.241 -20.149 3.736 1.00 0.00 H new ATOM 0 HG LEU A 78 26.346 -18.034 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 78 27.960 -17.805 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.679 -17.356 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.062 -18.930 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.189 -19.519 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.221 -20.711 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.614 -20.319 2.198 1.00 0.00 H new ATOM 1273 N GLU A 79 27.077 -22.176 4.963 1.00 0.00 N ATOM 1274 CA GLU A 79 27.549 -23.380 5.638 1.00 0.00 C ATOM 1275 C GLU A 79 28.822 -23.907 4.983 1.00 0.00 C ATOM 1276 O GLU A 79 28.832 -24.239 3.797 1.00 0.00 O ATOM 1277 CB GLU A 79 26.466 -24.461 5.615 1.00 0.00 C ATOM 1278 CG GLU A 79 25.656 -24.538 6.899 1.00 0.00 C ATOM 1279 CD GLU A 79 25.697 -25.914 7.534 1.00 0.00 C ATOM 1280 OE1 GLU A 79 26.772 -26.549 7.503 1.00 0.00 O ATOM 1281 OE2 GLU A 79 24.655 -26.356 8.061 1.00 0.00 O ATOM 0 H GLU A 79 26.900 -22.293 3.965 1.00 0.00 H new ATOM 0 HA GLU A 79 27.773 -23.122 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.791 -24.270 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.934 -25.428 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 79 26.036 -23.803 7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.621 -24.270 6.687 1.00 0.00 H new ATOM 1288 N ARG A 80 29.895 -23.981 5.764 1.00 0.00 N ATOM 1289 CA ARG A 80 31.175 -24.465 5.260 1.00 0.00 C ATOM 1290 C ARG A 80 31.059 -25.909 4.780 1.00 0.00 C ATOM 1291 O ARG A 80 30.702 -26.803 5.547 1.00 0.00 O ATOM 1292 CB ARG A 80 32.247 -24.363 6.347 1.00 0.00 C ATOM 1293 CG ARG A 80 33.655 -24.196 5.800 1.00 0.00 C ATOM 1294 CD ARG A 80 34.320 -22.943 6.349 1.00 0.00 C ATOM 1295 NE ARG A 80 35.698 -22.808 5.885 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.575 -21.965 6.420 1.00 0.00 C ATOM 1297 NH1 ARG A 80 36.218 -21.187 7.433 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.811 -21.899 5.942 1.00 0.00 N ATOM 0 H ARG A 80 29.903 -23.712 6.748 1.00 0.00 H new ATOM 0 HA ARG A 80 31.464 -23.841 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 80 32.016 -23.518 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 80 32.211 -25.259 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.253 -25.070 6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.620 -24.144 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.748 -22.066 6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 80 34.305 -22.972 7.439 1.00 0.00 H new ATOM 0 HE ARG A 80 36.004 -23.393 5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 80 35.269 -21.235 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 80 36.893 -20.541 7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 80 38.089 -22.496 5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.483 -21.251 6.354 1.00 0.00 H new ATOM 1312 N VAL A 81 31.362 -26.129 3.504 1.00 0.00 N ATOM 1313 CA VAL A 81 31.292 -27.463 2.921 1.00 0.00 C ATOM 1314 C VAL A 81 32.680 -27.976 2.553 1.00 0.00 C ATOM 1315 O VAL A 81 33.489 -27.247 1.978 1.00 0.00 O ATOM 1316 CB VAL A 81 30.401 -27.481 1.665 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.063 -28.910 1.270 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.134 -26.671 1.900 1.00 0.00 C ATOM 0 H VAL A 81 31.658 -25.400 2.855 1.00 0.00 H new ATOM 0 HA VAL A 81 30.855 -28.116 3.677 1.00 0.00 H new ATOM 0 HB VAL A 81 30.952 -27.023 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 81 29.433 -28.902 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 81 30.982 -29.456 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 81 29.531 -29.397 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.516 -26.694 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.578 -27.099 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.399 -25.639 2.131 1.00 0.00 H new ATOM 1328 N ASP A 82 32.948 -29.233 2.887 1.00 0.00 N ATOM 1329 CA ASP A 82 34.238 -29.844 2.591 1.00 0.00 C ATOM 1330 C ASP A 82 34.272 -30.375 1.161 1.00 0.00 C ATOM 1331 O ASP A 82 34.815 -31.448 0.899 1.00 0.00 O ATOM 1332 CB ASP A 82 34.528 -30.978 3.575 1.00 0.00 C ATOM 1333 CG ASP A 82 35.401 -30.532 4.732 1.00 0.00 C ATOM 1334 OD1 ASP A 82 35.195 -29.406 5.231 1.00 0.00 O ATOM 1335 OD2 ASP A 82 36.290 -31.309 5.138 1.00 0.00 O ATOM 0 H ASP A 82 32.289 -29.849 3.363 1.00 0.00 H new ATOM 0 HA ASP A 82 35.007 -29.078 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.587 -31.368 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.019 -31.796 3.048 1.00 0.00 H new ATOM 1340 N ARG A 83 33.688 -29.616 0.239 1.00 0.00 N ATOM 1341 CA ARG A 83 33.649 -30.011 -1.163 1.00 0.00 C ATOM 1342 C ARG A 83 34.359 -28.981 -2.038 1.00 0.00 C ATOM 1343 O ARG A 83 34.900 -27.994 -1.538 1.00 0.00 O ATOM 1344 CB ARG A 83 32.202 -30.180 -1.628 1.00 0.00 C ATOM 1345 CG ARG A 83 31.627 -31.557 -1.342 1.00 0.00 C ATOM 1346 CD ARG A 83 30.175 -31.474 -0.897 1.00 0.00 C ATOM 1347 NE ARG A 83 29.464 -32.732 -1.110 1.00 0.00 N ATOM 1348 CZ ARG A 83 28.140 -32.834 -1.125 1.00 0.00 C ATOM 1349 NH1 ARG A 83 27.387 -31.758 -0.942 1.00 0.00 N ATOM 1350 NH2 ARG A 83 27.567 -34.013 -1.325 1.00 0.00 N ATOM 0 H ARG A 83 33.235 -28.724 0.439 1.00 0.00 H new ATOM 0 HA ARG A 83 34.168 -30.965 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.582 -29.428 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.149 -29.989 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 83 31.700 -32.176 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.218 -32.046 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.134 -31.209 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 83 29.673 -30.677 -1.445 1.00 0.00 H new ATOM 0 HE ARG A 83 30.014 -33.578 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 83 27.824 -30.849 -0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 83 26.370 -31.839 -0.954 1.00 0.00 H new ATOM 0 HH21 ARG A 83 28.143 -34.842 -1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 83 26.550 -34.090 -1.336 1.00 0.00 H new ATOM 1364 N ARG A 84 34.352 -29.217 -3.346 1.00 0.00 N ATOM 1365 CA ARG A 84 34.996 -28.311 -4.289 1.00 0.00 C ATOM 1366 C ARG A 84 33.967 -27.412 -4.968 1.00 0.00 C ATOM 1367 O ARG A 84 33.059 -27.892 -5.648 1.00 0.00 O ATOM 1368 CB ARG A 84 35.770 -29.105 -5.344 1.00 0.00 C ATOM 1369 CG ARG A 84 36.333 -28.243 -6.462 1.00 0.00 C ATOM 1370 CD ARG A 84 37.520 -27.420 -5.987 1.00 0.00 C ATOM 1371 NE ARG A 84 38.199 -26.750 -7.093 1.00 0.00 N ATOM 1372 CZ ARG A 84 39.011 -25.711 -6.936 1.00 0.00 C ATOM 1373 NH1 ARG A 84 39.245 -25.226 -5.724 1.00 0.00 N ATOM 1374 NH2 ARG A 84 39.592 -25.155 -7.991 1.00 0.00 N ATOM 0 H ARG A 84 33.907 -30.028 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 84 35.692 -27.683 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.589 -29.636 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 84 35.111 -29.859 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 84 36.639 -28.878 -7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 84 35.555 -27.578 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 84 37.180 -26.676 -5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.226 -28.068 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 84 38.041 -27.099 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 84 38.801 -25.651 -4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 84 39.869 -24.428 -5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 84 39.415 -25.525 -8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 84 40.215 -24.357 -7.868 1.00 0.00 H new ATOM 1388 N LEU A 85 34.114 -26.105 -4.777 1.00 0.00 N ATOM 1389 CA LEU A 85 33.197 -25.138 -5.370 1.00 0.00 C ATOM 1390 C LEU A 85 31.748 -25.502 -5.065 1.00 0.00 C ATOM 1391 O LEU A 85 30.861 -25.315 -5.898 1.00 0.00 O ATOM 1392 CB LEU A 85 33.409 -25.066 -6.883 1.00 0.00 C ATOM 1393 CG LEU A 85 34.565 -24.184 -7.358 1.00 0.00 C ATOM 1394 CD1 LEU A 85 34.234 -22.714 -7.153 1.00 0.00 C ATOM 1395 CD2 LEU A 85 35.849 -24.550 -6.629 1.00 0.00 C ATOM 0 H LEU A 85 34.859 -25.691 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 85 33.406 -24.162 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.573 -26.077 -7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.489 -24.703 -7.342 1.00 0.00 H new ATOM 0 HG LEU A 85 34.714 -24.356 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 85 35.068 -22.102 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.339 -22.460 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.057 -22.525 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 85 36.661 -23.913 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 85 35.712 -24.407 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.095 -25.593 -6.827 1.00 0.00 H new ATOM 1407 N VAL A 86 31.515 -26.023 -3.864 1.00 0.00 N ATOM 1408 CA VAL A 86 30.172 -26.411 -3.447 1.00 0.00 C ATOM 1409 C VAL A 86 29.799 -25.759 -2.120 1.00 0.00 C ATOM 1410 O VAL A 86 30.263 -26.177 -1.059 1.00 0.00 O ATOM 1411 CB VAL A 86 30.048 -27.939 -3.308 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.736 -28.309 -2.633 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.164 -28.609 -4.669 1.00 0.00 C ATOM 0 H VAL A 86 32.238 -26.186 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 86 29.488 -26.067 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 86 30.865 -28.297 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.666 -29.393 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.698 -27.860 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 86 27.903 -27.940 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.074 -29.689 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.369 -28.247 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.132 -28.371 -5.110 1.00 0.00 H new ATOM 1423 N TYR A 87 28.958 -24.733 -2.187 1.00 0.00 N ATOM 1424 CA TYR A 87 28.524 -24.021 -0.991 1.00 0.00 C ATOM 1425 C TYR A 87 27.102 -24.418 -0.608 1.00 0.00 C ATOM 1426 O TYR A 87 26.404 -25.089 -1.369 1.00 0.00 O ATOM 1427 CB TYR A 87 28.600 -22.510 -1.216 1.00 0.00 C ATOM 1428 CG TYR A 87 29.988 -22.019 -1.563 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.570 -22.327 -2.786 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.716 -21.246 -0.667 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.837 -21.881 -3.107 1.00 0.00 C ATOM 1432 CE2 TYR A 87 31.984 -20.794 -0.980 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.540 -21.115 -2.200 1.00 0.00 C ATOM 1434 OH TYR A 87 33.802 -20.668 -2.517 1.00 0.00 O ATOM 0 H TYR A 87 28.563 -24.376 -3.057 1.00 0.00 H new ATOM 0 HA TYR A 87 29.191 -24.294 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.915 -22.236 -2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.257 -21.999 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 87 30.022 -22.926 -3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.284 -20.994 0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.275 -22.130 -4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.536 -20.193 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 87 34.159 -20.142 -1.772 1.00 0.00 H new ATOM 1444 N LYS A 88 26.677 -23.998 0.579 1.00 0.00 N ATOM 1445 CA LYS A 88 25.338 -24.307 1.067 1.00 0.00 C ATOM 1446 C LYS A 88 24.844 -23.226 2.023 1.00 0.00 C ATOM 1447 O LYS A 88 25.563 -22.814 2.934 1.00 0.00 O ATOM 1448 CB LYS A 88 25.329 -25.666 1.769 1.00 0.00 C ATOM 1449 CG LYS A 88 24.025 -25.972 2.486 1.00 0.00 C ATOM 1450 CD LYS A 88 24.255 -26.823 3.723 1.00 0.00 C ATOM 1451 CE LYS A 88 23.127 -27.822 3.931 1.00 0.00 C ATOM 1452 NZ LYS A 88 23.438 -28.791 5.018 1.00 0.00 N ATOM 0 H LYS A 88 27.241 -23.442 1.221 1.00 0.00 H new ATOM 0 HA LYS A 88 24.666 -24.344 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.521 -26.447 1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 88 26.146 -25.699 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.538 -25.039 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.349 -26.491 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 88 25.201 -27.356 3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.338 -26.179 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.208 -27.287 4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.946 -28.364 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.645 -29.455 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 24.300 -29.319 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 23.586 -28.277 5.910 1.00 0.00 H new ATOM 1466 N PHE A 89 23.614 -22.771 1.810 1.00 0.00 N ATOM 1467 CA PHE A 89 23.024 -21.738 2.653 1.00 0.00 C ATOM 1468 C PHE A 89 22.669 -22.295 4.029 1.00 0.00 C ATOM 1469 O PHE A 89 22.047 -23.351 4.141 1.00 0.00 O ATOM 1470 CB PHE A 89 21.775 -21.158 1.988 1.00 0.00 C ATOM 1471 CG PHE A 89 22.041 -20.548 0.641 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.467 -19.234 0.534 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.865 -21.288 -0.516 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.712 -18.670 -0.704 1.00 0.00 C ATOM 1475 CE2 PHE A 89 22.109 -20.730 -1.757 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.534 -19.419 -1.851 1.00 0.00 C ATOM 0 H PHE A 89 23.006 -23.102 1.061 1.00 0.00 H new ATOM 0 HA PHE A 89 23.761 -20.945 2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.031 -21.947 1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.343 -20.400 2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.609 -18.644 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.533 -22.313 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.042 -17.644 -0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.968 -21.318 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.727 -18.981 -2.819 1.00 0.00 H new ATOM 1486 N GLY A 90 23.071 -21.578 5.074 1.00 0.00 N ATOM 1487 CA GLY A 90 22.788 -22.016 6.428 1.00 0.00 C ATOM 1488 C GLY A 90 21.358 -21.732 6.841 1.00 0.00 C ATOM 1489 O GLY A 90 20.455 -21.701 6.004 1.00 0.00 O ATOM 0 H GLY A 90 23.588 -20.701 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.981 -23.086 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.468 -21.517 7.118 1.00 0.00 H new ATOM 1493 N LYS A 91 21.148 -21.526 8.137 1.00 0.00 N ATOM 1494 CA LYS A 91 19.818 -21.243 8.662 1.00 0.00 C ATOM 1495 C LYS A 91 19.580 -19.740 8.761 1.00 0.00 C ATOM 1496 O LYS A 91 18.438 -19.283 8.787 1.00 0.00 O ATOM 1497 CB LYS A 91 19.642 -21.890 10.038 1.00 0.00 C ATOM 1498 CG LYS A 91 20.452 -21.219 11.134 1.00 0.00 C ATOM 1499 CD LYS A 91 21.177 -22.238 11.995 1.00 0.00 C ATOM 1500 CE LYS A 91 20.951 -21.978 13.477 1.00 0.00 C ATOM 1501 NZ LYS A 91 21.434 -23.108 14.318 1.00 0.00 N ATOM 0 H LYS A 91 21.883 -21.550 8.844 1.00 0.00 H new ATOM 0 HA LYS A 91 19.086 -21.664 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.587 -21.864 10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.930 -22.940 9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.176 -20.538 10.687 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.792 -20.617 11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.831 -23.240 11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.245 -22.206 11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.466 -21.063 13.768 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.888 -21.817 13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.262 -22.893 15.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.924 -23.977 14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 22.453 -23.245 14.163 1.00 0.00 H new ATOM 1515 N ASN A 92 20.666 -18.976 8.816 1.00 0.00 N ATOM 1516 CA ASN A 92 20.575 -17.523 8.911 1.00 0.00 C ATOM 1517 C ASN A 92 19.918 -16.937 7.665 1.00 0.00 C ATOM 1518 O ASN A 92 19.230 -15.919 7.735 1.00 0.00 O ATOM 1519 CB ASN A 92 21.966 -16.915 9.102 1.00 0.00 C ATOM 1520 CG ASN A 92 22.309 -16.705 10.564 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.555 -15.581 11.000 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.328 -17.791 11.329 1.00 0.00 N ATOM 0 H ASN A 92 21.619 -19.338 8.796 1.00 0.00 H new ATOM 0 HA ASN A 92 19.958 -17.278 9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.711 -17.568 8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 92 22.017 -15.960 8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.553 -17.712 12.321 1.00 0.00 H new ATOM 0 HD22 ASN A 92 22.117 -18.703 10.925 1.00 0.00 H new ATOM 1529 N ALA A 93 20.134 -17.587 6.527 1.00 0.00 N ATOM 1530 CA ALA A 93 19.561 -17.132 5.266 1.00 0.00 C ATOM 1531 C ALA A 93 18.120 -17.606 5.115 1.00 0.00 C ATOM 1532 O ALA A 93 17.814 -18.777 5.340 1.00 0.00 O ATOM 1533 CB ALA A 93 20.404 -17.620 4.097 1.00 0.00 C ATOM 0 H ALA A 93 20.702 -18.431 6.452 1.00 0.00 H new ATOM 0 HA ALA A 93 19.559 -16.042 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.965 -17.273 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.417 -17.228 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.435 -18.710 4.101 1.00 0.00 H new ATOM 1539 N HIS A 94 17.237 -16.688 4.734 1.00 0.00 N ATOM 1540 CA HIS A 94 15.826 -17.012 4.554 1.00 0.00 C ATOM 1541 C HIS A 94 15.365 -16.664 3.142 1.00 0.00 C ATOM 1542 O HIS A 94 15.647 -15.578 2.636 1.00 0.00 O ATOM 1543 CB HIS A 94 14.974 -16.265 5.580 1.00 0.00 C ATOM 1544 CG HIS A 94 15.199 -14.784 5.581 1.00 0.00 C ATOM 1545 ND1 HIS A 94 14.438 -13.907 4.837 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.105 -14.027 6.242 1.00 0.00 C ATOM 1547 CE1 HIS A 94 14.868 -12.674 5.040 1.00 0.00 C ATOM 1548 NE2 HIS A 94 15.878 -12.719 5.889 1.00 0.00 N ATOM 0 H HIS A 94 17.474 -15.714 4.544 1.00 0.00 H new ATOM 0 HA HIS A 94 15.703 -18.085 4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 94 13.921 -16.464 5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.189 -16.658 6.574 1.00 0.00 H new ATOM 0 HD2 HIS A 94 16.865 -14.385 6.921 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.462 -11.781 4.588 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.404 -11.914 6.228 1.00 0.00 H new ATOM 1556 N GLY A 95 14.655 -17.594 2.510 1.00 0.00 N ATOM 1557 CA GLY A 95 14.167 -17.366 1.162 1.00 0.00 C ATOM 1558 C GLY A 95 14.065 -18.647 0.359 1.00 0.00 C ATOM 1559 O GLY A 95 13.073 -18.875 -0.335 1.00 0.00 O ATOM 0 H GLY A 95 14.409 -18.501 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.187 -16.891 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.833 -16.672 0.650 1.00 0.00 H new ATOM 1563 N TRP A 96 15.091 -19.484 0.450 1.00 0.00 N ATOM 1564 CA TRP A 96 15.113 -20.749 -0.277 1.00 0.00 C ATOM 1565 C TRP A 96 14.371 -21.834 0.497 1.00 0.00 C ATOM 1566 O TRP A 96 13.452 -22.462 -0.027 1.00 0.00 O ATOM 1567 CB TRP A 96 16.556 -21.187 -0.537 1.00 0.00 C ATOM 1568 CG TRP A 96 17.343 -21.414 0.718 1.00 0.00 C ATOM 1569 CD1 TRP A 96 17.996 -20.470 1.459 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.561 -22.666 1.378 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.607 -21.060 2.539 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.354 -22.406 2.513 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.161 -23.980 1.122 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.755 -23.413 3.387 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.560 -24.979 1.990 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.350 -24.691 3.112 1.00 0.00 C ATOM 0 H TRP A 96 15.919 -19.311 1.020 1.00 0.00 H new ATOM 0 HA TRP A 96 14.609 -20.600 -1.232 1.00 0.00 H new ATOM 0 HB2 TRP A 96 16.549 -22.105 -1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.056 -20.428 -1.138 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.027 -19.415 1.230 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.159 -20.574 3.246 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.551 -24.211 0.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 19.364 -23.193 4.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.258 -25.999 1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.645 -25.493 3.772 1.00 0.00 H new ATOM 1587 N GLN A 97 14.777 -22.047 1.744 1.00 0.00 N ATOM 1588 CA GLN A 97 14.149 -23.057 2.589 1.00 0.00 C ATOM 1589 C GLN A 97 12.630 -22.929 2.553 1.00 0.00 C ATOM 1590 O GLN A 97 12.094 -21.829 2.421 1.00 0.00 O ATOM 1591 CB GLN A 97 14.650 -22.931 4.029 1.00 0.00 C ATOM 1592 CG GLN A 97 13.763 -22.063 4.907 1.00 0.00 C ATOM 1593 CD GLN A 97 14.518 -21.444 6.067 1.00 0.00 C ATOM 1594 OE1 GLN A 97 14.080 -21.516 7.216 1.00 0.00 O ATOM 1595 NE2 GLN A 97 15.658 -20.831 5.773 1.00 0.00 N ATOM 0 H GLN A 97 15.537 -21.535 2.192 1.00 0.00 H new ATOM 0 HA GLN A 97 14.421 -24.039 2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.721 -23.926 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.657 -22.514 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.322 -21.271 4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.940 -22.665 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.983 -20.795 4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.209 -20.396 6.513 1.00 0.00 H new