USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 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 -90:sc= 1.11 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.919 USER MOD Set 2.1: A 57 ASN : amide:sc= -4.08! C(o=-4.5!,f=-16!) USER MOD Set 2.2: A 60 MET CE :methyl 138:sc= -0.573 (180deg=-2.88!) USER MOD Set 2.3: A 64 LYS NZ :NH3+ -174:sc= 0.141 (180deg=0.128) USER MOD Single : A 21 SER OG : rot 135:sc= 0.0652 USER MOD Single : A 25 ASN : amide:sc= -1.25 K(o=-1.2,f=-13!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -7.6! C(o=-7.6!,f=-5.8!) 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 -141:sc= -2.01! (180deg=-3.3!) USER MOD Single : A 53 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.042) 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=-0.00346 USER MOD Single : A 66 SER OG : rot -81:sc= 0.248 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -162:sc=-0.00757 (180deg=-0.182) USER MOD Single : A 75 THR OG1 : rot -34:sc= -0.867 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= -0.059 X(o=-0.059,f=-0.1) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.342 -10.565 -0.911 1.00 0.00 N ATOM 106 CA LEU A 11 25.785 -11.575 -1.865 1.00 0.00 C ATOM 107 C LEU A 11 24.941 -12.841 -1.750 1.00 0.00 C ATOM 108 O LEU A 11 24.294 -13.257 -2.711 1.00 0.00 O ATOM 109 CB LEU A 11 27.260 -11.910 -1.636 1.00 0.00 C ATOM 110 CG LEU A 11 27.776 -13.176 -2.321 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.970 -12.936 -3.810 1.00 0.00 C ATOM 112 CD2 LEU A 11 29.076 -13.638 -1.679 1.00 0.00 C ATOM 0 HA LEU A 11 25.663 -11.168 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.860 -11.066 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.427 -12.008 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 11 27.032 -13.963 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.338 -13.848 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 11 27.018 -12.654 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.693 -12.134 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.428 -14.540 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.827 -12.854 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 11 28.905 -13.852 -0.624 1.00 0.00 H new ATOM 124 N TRP A 12 24.952 -13.446 -0.568 1.00 0.00 N ATOM 125 CA TRP A 12 24.185 -14.664 -0.326 1.00 0.00 C ATOM 126 C TRP A 12 22.812 -14.582 -0.984 1.00 0.00 C ATOM 127 O TRP A 12 22.270 -15.591 -1.435 1.00 0.00 O ATOM 128 CB TRP A 12 24.031 -14.903 1.177 1.00 0.00 C ATOM 129 CG TRP A 12 22.911 -14.120 1.791 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.006 -12.917 2.430 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.527 -14.487 1.826 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.765 -12.513 2.860 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.841 -13.458 2.502 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.801 -15.582 1.352 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.465 -13.496 2.713 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.436 -15.618 1.563 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.779 -14.580 2.238 1.00 0.00 C ATOM 0 H TRP A 12 25.483 -13.114 0.237 1.00 0.00 H new ATOM 0 HA TRP A 12 24.728 -15.500 -0.766 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.861 -15.965 1.353 1.00 0.00 H new ATOM 0 HB3 TRP A 12 24.964 -14.642 1.677 1.00 0.00 H new ATOM 0 HD1 TRP A 12 23.922 -12.364 2.576 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.565 -11.649 3.364 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.298 -16.386 0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 18.957 -12.697 3.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.865 -16.461 1.202 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.711 -14.637 2.386 1.00 0.00 H new ATOM 148 N GLU A 13 22.256 -13.376 -1.036 1.00 0.00 N ATOM 149 CA GLU A 13 20.945 -13.165 -1.639 1.00 0.00 C ATOM 150 C GLU A 13 21.038 -13.183 -3.162 1.00 0.00 C ATOM 151 O GLU A 13 20.215 -13.802 -3.838 1.00 0.00 O ATOM 152 CB GLU A 13 20.351 -11.836 -1.169 1.00 0.00 C ATOM 153 CG GLU A 13 19.328 -11.986 -0.055 1.00 0.00 C ATOM 154 CD GLU A 13 17.985 -11.379 -0.411 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.968 -10.325 -1.081 1.00 0.00 O ATOM 156 OE2 GLU A 13 16.950 -11.958 -0.019 1.00 0.00 O ATOM 0 H GLU A 13 22.692 -12.531 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 13 20.292 -13.978 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.158 -11.189 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.882 -11.337 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.196 -13.044 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.709 -11.511 0.849 1.00 0.00 H new ATOM 163 N PHE A 14 22.045 -12.500 -3.696 1.00 0.00 N ATOM 164 CA PHE A 14 22.245 -12.436 -5.139 1.00 0.00 C ATOM 165 C PHE A 14 22.502 -13.825 -5.714 1.00 0.00 C ATOM 166 O PHE A 14 21.817 -14.263 -6.639 1.00 0.00 O ATOM 167 CB PHE A 14 23.417 -11.509 -5.471 1.00 0.00 C ATOM 168 CG PHE A 14 24.100 -11.848 -6.765 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.083 -12.823 -6.811 1.00 0.00 C ATOM 170 CD2 PHE A 14 23.760 -11.190 -7.937 1.00 0.00 C ATOM 171 CE1 PHE A 14 25.713 -13.138 -8.000 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.386 -11.500 -9.129 1.00 0.00 C ATOM 173 CZ PHE A 14 25.365 -12.474 -9.160 1.00 0.00 C ATOM 0 H PHE A 14 22.735 -11.983 -3.151 1.00 0.00 H new ATOM 0 HA PHE A 14 21.336 -12.038 -5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.056 -10.482 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.146 -11.554 -4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.361 -13.343 -5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 14 22.997 -10.426 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.476 -13.902 -8.022 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.110 -10.981 -10.035 1.00 0.00 H new ATOM 0 HZ PHE A 14 25.858 -12.716 -10.090 1.00 0.00 H new ATOM 183 N VAL A 15 23.495 -14.515 -5.161 1.00 0.00 N ATOM 184 CA VAL A 15 23.843 -15.855 -5.618 1.00 0.00 C ATOM 185 C VAL A 15 22.659 -16.806 -5.484 1.00 0.00 C ATOM 186 O VAL A 15 22.472 -17.701 -6.309 1.00 0.00 O ATOM 187 CB VAL A 15 25.037 -16.424 -4.829 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.732 -16.443 -3.339 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.388 -17.818 -5.327 1.00 0.00 C ATOM 0 H VAL A 15 24.073 -14.168 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 15 24.119 -15.770 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 15 25.899 -15.777 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.587 -16.848 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.533 -15.428 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.857 -17.067 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.234 -18.205 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.530 -18.478 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.652 -17.771 -6.384 1.00 0.00 H new ATOM 199 N ARG A 16 21.862 -16.606 -4.439 1.00 0.00 N ATOM 200 CA ARG A 16 20.696 -17.447 -4.196 1.00 0.00 C ATOM 201 C ARG A 16 19.597 -17.161 -5.216 1.00 0.00 C ATOM 202 O ARG A 16 19.019 -18.081 -5.795 1.00 0.00 O ATOM 203 CB ARG A 16 20.163 -17.220 -2.780 1.00 0.00 C ATOM 204 CG ARG A 16 18.898 -18.004 -2.473 1.00 0.00 C ATOM 205 CD ARG A 16 17.808 -17.105 -1.909 1.00 0.00 C ATOM 206 NE ARG A 16 17.425 -16.055 -2.849 1.00 0.00 N ATOM 207 CZ ARG A 16 16.676 -15.009 -2.518 1.00 0.00 C ATOM 208 NH1 ARG A 16 16.233 -14.875 -1.275 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.369 -14.096 -3.429 1.00 0.00 N ATOM 0 H ARG A 16 22.002 -15.869 -3.748 1.00 0.00 H new ATOM 0 HA ARG A 16 21.002 -18.488 -4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.935 -17.496 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 16 19.964 -16.157 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.539 -18.487 -3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.124 -18.796 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.934 -17.707 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.156 -16.652 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 16 17.751 -16.129 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.467 -15.576 -0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.658 -14.071 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.708 -14.196 -4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.794 -13.293 -3.173 1.00 0.00 H new ATOM 223 N ASP A 17 19.315 -15.881 -5.431 1.00 0.00 N ATOM 224 CA ASP A 17 18.287 -15.473 -6.381 1.00 0.00 C ATOM 225 C ASP A 17 18.528 -16.106 -7.748 1.00 0.00 C ATOM 226 O ASP A 17 17.586 -16.489 -8.442 1.00 0.00 O ATOM 227 CB ASP A 17 18.256 -13.949 -6.509 1.00 0.00 C ATOM 228 CG ASP A 17 16.943 -13.442 -7.072 1.00 0.00 C ATOM 229 OD1 ASP A 17 16.779 -13.466 -8.310 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.079 -13.023 -6.274 1.00 0.00 O ATOM 0 H ASP A 17 19.784 -15.108 -4.960 1.00 0.00 H new ATOM 0 HA ASP A 17 17.323 -15.818 -6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.425 -13.502 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.073 -13.625 -7.153 1.00 0.00 H new ATOM 235 N LEU A 18 19.797 -16.213 -8.129 1.00 0.00 N ATOM 236 CA LEU A 18 20.163 -16.799 -9.413 1.00 0.00 C ATOM 237 C LEU A 18 19.649 -18.231 -9.525 1.00 0.00 C ATOM 238 O LEU A 18 19.262 -18.681 -10.604 1.00 0.00 O ATOM 239 CB LEU A 18 21.682 -16.775 -9.593 1.00 0.00 C ATOM 240 CG LEU A 18 22.284 -15.440 -10.034 1.00 0.00 C ATOM 241 CD1 LEU A 18 23.733 -15.333 -9.583 1.00 0.00 C ATOM 242 CD2 LEU A 18 22.180 -15.281 -11.543 1.00 0.00 C ATOM 0 H LEU A 18 20.589 -15.901 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 18 19.700 -16.204 -10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.144 -17.065 -8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.953 -17.533 -10.328 1.00 0.00 H new ATOM 0 HG LEU A 18 21.719 -14.635 -9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.145 -14.377 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.782 -15.401 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.312 -16.145 -10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.613 -14.326 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.720 -16.091 -12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.132 -15.312 -11.841 1.00 0.00 H new ATOM 254 N LEU A 19 19.647 -18.942 -8.403 1.00 0.00 N ATOM 255 CA LEU A 19 19.178 -20.323 -8.373 1.00 0.00 C ATOM 256 C LEU A 19 17.668 -20.390 -8.578 1.00 0.00 C ATOM 257 O LEU A 19 17.147 -21.361 -9.129 1.00 0.00 O ATOM 258 CB LEU A 19 19.554 -20.982 -7.045 1.00 0.00 C ATOM 259 CG LEU A 19 21.045 -21.232 -6.818 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.344 -21.371 -5.334 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.499 -22.473 -7.574 1.00 0.00 C ATOM 0 H LEU A 19 19.965 -18.585 -7.502 1.00 0.00 H new ATOM 0 HA LEU A 19 19.661 -20.862 -9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.184 -20.355 -6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.031 -21.936 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 19 21.599 -20.375 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.410 -21.548 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.057 -20.455 -4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.779 -22.209 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.563 -22.636 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.938 -23.339 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.322 -22.334 -8.641 1.00 0.00 H new ATOM 273 N LEU A 20 16.969 -19.352 -8.132 1.00 0.00 N ATOM 274 CA LEU A 20 15.518 -19.291 -8.267 1.00 0.00 C ATOM 275 C LEU A 20 15.119 -18.486 -9.500 1.00 0.00 C ATOM 276 O LEU A 20 13.936 -18.361 -9.817 1.00 0.00 O ATOM 277 CB LEU A 20 14.894 -18.672 -7.015 1.00 0.00 C ATOM 278 CG LEU A 20 15.583 -19.000 -5.690 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.873 -18.311 -4.535 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.626 -20.505 -5.470 1.00 0.00 C ATOM 0 H LEU A 20 17.384 -18.541 -7.674 1.00 0.00 H new ATOM 0 HA LEU A 20 15.146 -20.309 -8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.882 -17.589 -7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.856 -18.997 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 20 16.607 -18.630 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.377 -18.556 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.894 -17.232 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.838 -18.651 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.120 -20.720 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.610 -20.899 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.179 -20.976 -6.283 1.00 0.00 H new ATOM 292 N SER A 21 16.115 -17.942 -10.192 1.00 0.00 N ATOM 293 CA SER A 21 15.868 -17.147 -11.390 1.00 0.00 C ATOM 294 C SER A 21 16.674 -17.680 -12.571 1.00 0.00 C ATOM 295 O SER A 21 17.742 -17.168 -12.909 1.00 0.00 O ATOM 296 CB SER A 21 16.223 -15.681 -11.136 1.00 0.00 C ATOM 297 OG SER A 21 15.119 -14.976 -10.595 1.00 0.00 O ATOM 0 H SER A 21 17.100 -18.037 -9.944 1.00 0.00 H new ATOM 0 HA SER A 21 14.808 -17.220 -11.633 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.068 -15.622 -10.450 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.536 -15.212 -12.069 1.00 0.00 H new ATOM 0 HG SER A 21 15.420 -14.424 -9.843 1.00 0.00 H new ATOM 303 N PRO A 22 16.151 -18.734 -13.215 1.00 0.00 N ATOM 304 CA PRO A 22 16.804 -19.359 -14.369 1.00 0.00 C ATOM 305 C PRO A 22 16.778 -18.466 -15.605 1.00 0.00 C ATOM 306 O PRO A 22 17.434 -18.756 -16.605 1.00 0.00 O ATOM 307 CB PRO A 22 15.973 -20.623 -14.605 1.00 0.00 C ATOM 308 CG PRO A 22 14.632 -20.306 -14.038 1.00 0.00 C ATOM 309 CD PRO A 22 14.882 -19.395 -12.868 1.00 0.00 C ATOM 0 HA PRO A 22 17.860 -19.555 -14.183 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.908 -20.861 -15.667 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.418 -21.487 -14.111 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.999 -19.822 -14.781 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.117 -21.214 -13.723 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.075 -18.674 -12.741 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.961 -19.952 -11.935 1.00 0.00 H new ATOM 317 N GLU A 23 16.015 -17.380 -15.528 1.00 0.00 N ATOM 318 CA GLU A 23 15.904 -16.445 -16.642 1.00 0.00 C ATOM 319 C GLU A 23 17.102 -15.501 -16.681 1.00 0.00 C ATOM 320 O GLU A 23 17.481 -15.006 -17.742 1.00 0.00 O ATOM 321 CB GLU A 23 14.608 -15.639 -16.533 1.00 0.00 C ATOM 322 CG GLU A 23 13.753 -15.690 -17.788 1.00 0.00 C ATOM 323 CD GLU A 23 13.959 -14.485 -18.684 1.00 0.00 C ATOM 324 OE1 GLU A 23 15.042 -14.381 -19.298 1.00 0.00 O ATOM 325 OE2 GLU A 23 13.039 -13.645 -18.772 1.00 0.00 O ATOM 0 H GLU A 23 15.465 -17.126 -14.707 1.00 0.00 H new ATOM 0 HA GLU A 23 15.888 -17.021 -17.567 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.026 -16.015 -15.691 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.853 -14.600 -16.313 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.987 -16.597 -18.346 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.702 -15.752 -17.505 1.00 0.00 H new ATOM 332 N GLU A 24 17.693 -15.255 -15.515 1.00 0.00 N ATOM 333 CA GLU A 24 18.846 -14.369 -15.416 1.00 0.00 C ATOM 334 C GLU A 24 20.143 -15.170 -15.337 1.00 0.00 C ATOM 335 O GLU A 24 21.149 -14.803 -15.942 1.00 0.00 O ATOM 336 CB GLU A 24 18.718 -13.463 -14.190 1.00 0.00 C ATOM 337 CG GLU A 24 18.223 -12.064 -14.515 1.00 0.00 C ATOM 338 CD GLU A 24 19.293 -11.007 -14.319 1.00 0.00 C ATOM 339 OE1 GLU A 24 19.990 -11.053 -13.285 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.432 -10.134 -15.201 1.00 0.00 O ATOM 0 H GLU A 24 17.392 -15.657 -14.627 1.00 0.00 H new ATOM 0 HA GLU A 24 18.875 -13.751 -16.314 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.034 -13.925 -13.478 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.689 -13.391 -13.699 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.875 -12.036 -15.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.366 -11.830 -13.883 1.00 0.00 H new ATOM 347 N ASN A 25 20.110 -16.265 -14.585 1.00 0.00 N ATOM 348 CA ASN A 25 21.282 -17.118 -14.425 1.00 0.00 C ATOM 349 C ASN A 25 21.496 -17.986 -15.661 1.00 0.00 C ATOM 350 O ASN A 25 20.574 -18.656 -16.129 1.00 0.00 O ATOM 351 CB ASN A 25 21.129 -18.003 -13.186 1.00 0.00 C ATOM 352 CG ASN A 25 22.170 -19.104 -13.130 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.228 -19.005 -13.751 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.874 -20.161 -12.383 1.00 0.00 N ATOM 0 H ASN A 25 19.285 -16.583 -14.077 1.00 0.00 H new ATOM 0 HA ASN A 25 22.154 -16.476 -14.299 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.208 -17.386 -12.291 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.134 -18.447 -13.181 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.536 -20.933 -12.307 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.985 -20.201 -11.885 1.00 0.00 H new ATOM 361 N CYS A 26 22.717 -17.970 -16.184 1.00 0.00 N ATOM 362 CA CYS A 26 23.053 -18.756 -17.366 1.00 0.00 C ATOM 363 C CYS A 26 24.103 -19.812 -17.037 1.00 0.00 C ATOM 364 O CYS A 26 25.299 -19.590 -17.217 1.00 0.00 O ATOM 365 CB CYS A 26 23.562 -17.843 -18.482 1.00 0.00 C ATOM 366 SG CYS A 26 22.790 -18.142 -20.090 1.00 0.00 S ATOM 0 H CYS A 26 23.491 -17.422 -15.808 1.00 0.00 H new ATOM 0 HA CYS A 26 22.149 -19.263 -17.704 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.389 -16.806 -18.195 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.640 -17.972 -18.579 1.00 0.00 H new ATOM 0 HG CYS A 26 23.284 -17.320 -20.968 1.00 0.00 H new ATOM 372 N GLY A 27 23.646 -20.962 -16.551 1.00 0.00 N ATOM 373 CA GLY A 27 24.559 -22.035 -16.202 1.00 0.00 C ATOM 374 C GLY A 27 25.713 -21.558 -15.342 1.00 0.00 C ATOM 375 O GLY A 27 26.871 -21.871 -15.618 1.00 0.00 O ATOM 0 H GLY A 27 22.660 -21.170 -16.393 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.013 -22.815 -15.671 1.00 0.00 H new ATOM 0 HA3 GLY A 27 24.951 -22.485 -17.114 1.00 0.00 H new ATOM 379 N ILE A 28 25.397 -20.797 -14.300 1.00 0.00 N ATOM 380 CA ILE A 28 26.416 -20.275 -13.398 1.00 0.00 C ATOM 381 C ILE A 28 26.453 -21.065 -12.094 1.00 0.00 C ATOM 382 O ILE A 28 27.500 -21.184 -11.457 1.00 0.00 O ATOM 383 CB ILE A 28 26.177 -18.788 -13.078 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.919 -18.002 -14.364 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.367 -18.210 -12.327 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.427 -16.592 -14.123 1.00 0.00 C ATOM 0 H ILE A 28 24.443 -20.528 -14.059 1.00 0.00 H new ATOM 0 HA ILE A 28 27.373 -20.378 -13.910 1.00 0.00 H new ATOM 0 HB ILE A 28 25.296 -18.706 -12.442 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.839 -17.962 -14.947 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.184 -18.537 -14.966 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.183 -17.158 -12.108 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.508 -18.756 -11.394 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.264 -18.301 -12.940 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.265 -16.095 -15.079 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.490 -16.624 -13.567 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.171 -16.040 -13.548 1.00 0.00 H new ATOM 398 N LEU A 29 25.304 -21.606 -11.704 1.00 0.00 N ATOM 399 CA LEU A 29 25.204 -22.388 -10.476 1.00 0.00 C ATOM 400 C LEU A 29 24.384 -23.654 -10.702 1.00 0.00 C ATOM 401 O LEU A 29 23.758 -23.820 -11.748 1.00 0.00 O ATOM 402 CB LEU A 29 24.573 -21.549 -9.364 1.00 0.00 C ATOM 403 CG LEU A 29 25.279 -20.233 -9.033 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.276 -19.196 -8.552 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.361 -20.458 -7.987 1.00 0.00 C ATOM 0 H LEU A 29 24.429 -21.518 -12.220 1.00 0.00 H new ATOM 0 HA LEU A 29 26.211 -22.679 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.544 -21.325 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.532 -22.154 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 29 25.752 -19.857 -9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.796 -18.266 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.538 -19.014 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.774 -19.563 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.853 -19.512 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.911 -20.857 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.095 -21.167 -8.370 1.00 0.00 H new ATOM 417 N GLU A 30 24.391 -24.541 -9.712 1.00 0.00 N ATOM 418 CA GLU A 30 23.645 -25.791 -9.803 1.00 0.00 C ATOM 419 C GLU A 30 23.040 -26.164 -8.453 1.00 0.00 C ATOM 420 O GLU A 30 23.635 -25.915 -7.405 1.00 0.00 O ATOM 421 CB GLU A 30 24.556 -26.919 -10.295 1.00 0.00 C ATOM 422 CG GLU A 30 24.635 -27.021 -11.809 1.00 0.00 C ATOM 423 CD GLU A 30 25.004 -28.414 -12.281 1.00 0.00 C ATOM 424 OE1 GLU A 30 24.086 -29.239 -12.469 1.00 0.00 O ATOM 425 OE2 GLU A 30 26.211 -28.679 -12.462 1.00 0.00 O ATOM 0 H GLU A 30 24.904 -24.418 -8.839 1.00 0.00 H new ATOM 0 HA GLU A 30 22.834 -25.649 -10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.559 -26.764 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.196 -27.866 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.674 -26.738 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.372 -26.309 -12.180 1.00 0.00 H new ATOM 432 N TRP A 31 21.854 -26.760 -8.487 1.00 0.00 N ATOM 433 CA TRP A 31 21.167 -27.166 -7.267 1.00 0.00 C ATOM 434 C TRP A 31 21.573 -28.578 -6.858 1.00 0.00 C ATOM 435 O TRP A 31 21.051 -29.559 -7.384 1.00 0.00 O ATOM 436 CB TRP A 31 19.652 -27.094 -7.461 1.00 0.00 C ATOM 437 CG TRP A 31 19.052 -25.807 -6.981 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.260 -24.955 -7.696 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.198 -25.226 -5.681 1.00 0.00 C ATOM 440 NE1 TRP A 31 17.904 -23.879 -6.919 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.467 -24.022 -5.678 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.874 -25.606 -4.518 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.395 -23.198 -4.558 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.802 -24.786 -3.408 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.066 -23.594 -3.434 1.00 0.00 C ATOM 0 H TRP A 31 21.348 -26.973 -9.347 1.00 0.00 H new ATOM 0 HA TRP A 31 21.457 -26.479 -6.471 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.422 -27.222 -8.519 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.185 -27.924 -6.931 1.00 0.00 H new ATOM 0 HD1 TRP A 31 17.958 -25.105 -8.722 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.316 -23.101 -7.217 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.442 -26.524 -4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.829 -22.278 -4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.322 -25.069 -2.505 1.00 0.00 H new ATOM 0 HH2 TRP A 31 19.028 -22.976 -2.549 1.00 0.00 H new ATOM 456 N GLU A 32 22.506 -28.671 -5.916 1.00 0.00 N ATOM 457 CA GLU A 32 22.981 -29.965 -5.438 1.00 0.00 C ATOM 458 C GLU A 32 21.983 -30.585 -4.465 1.00 0.00 C ATOM 459 O GLU A 32 21.867 -31.808 -4.374 1.00 0.00 O ATOM 460 CB GLU A 32 24.345 -29.813 -4.760 1.00 0.00 C ATOM 461 CG GLU A 32 25.422 -29.260 -5.677 1.00 0.00 C ATOM 462 CD GLU A 32 26.486 -30.286 -6.014 1.00 0.00 C ATOM 463 OE1 GLU A 32 26.734 -31.180 -5.178 1.00 0.00 O ATOM 464 OE2 GLU A 32 27.069 -30.196 -7.114 1.00 0.00 O ATOM 0 H GLU A 32 22.948 -27.867 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 32 23.082 -30.627 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.241 -29.155 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.664 -30.785 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.961 -28.904 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.891 -28.399 -5.202 1.00 0.00 H new ATOM 471 N ASP A 33 21.265 -29.734 -3.740 1.00 0.00 N ATOM 472 CA ASP A 33 20.276 -30.198 -2.774 1.00 0.00 C ATOM 473 C ASP A 33 19.251 -29.107 -2.480 1.00 0.00 C ATOM 474 O ASP A 33 19.570 -28.094 -1.857 1.00 0.00 O ATOM 475 CB ASP A 33 20.962 -30.633 -1.478 1.00 0.00 C ATOM 476 CG ASP A 33 21.943 -31.769 -1.696 1.00 0.00 C ATOM 477 OD1 ASP A 33 21.488 -32.916 -1.889 1.00 0.00 O ATOM 478 OD2 ASP A 33 23.164 -31.510 -1.673 1.00 0.00 O ATOM 0 H ASP A 33 21.349 -28.719 -3.803 1.00 0.00 H new ATOM 0 HA ASP A 33 19.756 -31.054 -3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.487 -29.782 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.206 -30.943 -0.756 1.00 0.00 H new ATOM 483 N ARG A 34 18.020 -29.320 -2.933 1.00 0.00 N ATOM 484 CA ARG A 34 16.949 -28.354 -2.721 1.00 0.00 C ATOM 485 C ARG A 34 16.494 -28.359 -1.264 1.00 0.00 C ATOM 486 O ARG A 34 16.209 -27.309 -0.690 1.00 0.00 O ATOM 487 CB ARG A 34 15.765 -28.664 -3.637 1.00 0.00 C ATOM 488 CG ARG A 34 14.934 -27.442 -3.994 1.00 0.00 C ATOM 489 CD ARG A 34 15.688 -26.510 -4.930 1.00 0.00 C ATOM 490 NE ARG A 34 14.845 -26.032 -6.023 1.00 0.00 N ATOM 491 CZ ARG A 34 14.346 -26.824 -6.966 1.00 0.00 C ATOM 492 NH1 ARG A 34 14.603 -28.124 -6.950 1.00 0.00 N ATOM 493 NH2 ARG A 34 13.586 -26.314 -7.927 1.00 0.00 N ATOM 0 H ARG A 34 17.740 -30.154 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 34 17.334 -27.363 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.136 -29.121 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.124 -29.400 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.004 -27.758 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.664 -26.906 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.067 -25.658 -4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.553 -27.031 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 34 14.628 -25.036 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.186 -28.520 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.218 -28.729 -7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.385 -25.314 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.203 -26.922 -8.651 1.00 0.00 H new ATOM 507 N GLU A 35 16.428 -29.548 -0.674 1.00 0.00 N ATOM 508 CA GLU A 35 16.006 -29.689 0.715 1.00 0.00 C ATOM 509 C GLU A 35 17.024 -29.058 1.659 1.00 0.00 C ATOM 510 O GLU A 35 16.675 -28.232 2.503 1.00 0.00 O ATOM 511 CB GLU A 35 15.815 -31.166 1.066 1.00 0.00 C ATOM 512 CG GLU A 35 14.556 -31.775 0.473 1.00 0.00 C ATOM 513 CD GLU A 35 14.609 -31.868 -1.039 1.00 0.00 C ATOM 514 OE1 GLU A 35 14.218 -30.890 -1.709 1.00 0.00 O ATOM 515 OE2 GLU A 35 15.041 -32.921 -1.553 1.00 0.00 O ATOM 0 H GLU A 35 16.661 -30.427 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 35 15.055 -29.169 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.680 -31.729 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.784 -31.272 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.408 -32.771 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.694 -31.176 0.766 1.00 0.00 H new ATOM 522 N GLN A 36 18.285 -29.453 1.511 1.00 0.00 N ATOM 523 CA GLN A 36 19.354 -28.927 2.352 1.00 0.00 C ATOM 524 C GLN A 36 19.715 -27.502 1.945 1.00 0.00 C ATOM 525 O GLN A 36 20.068 -26.676 2.786 1.00 0.00 O ATOM 526 CB GLN A 36 20.589 -29.824 2.264 1.00 0.00 C ATOM 527 CG GLN A 36 20.269 -31.309 2.324 1.00 0.00 C ATOM 528 CD GLN A 36 21.337 -32.164 1.671 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.446 -32.294 2.188 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.007 -32.752 0.527 1.00 0.00 N ATOM 0 H GLN A 36 18.591 -30.135 0.817 1.00 0.00 H new ATOM 0 HA GLN A 36 18.998 -28.912 3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.116 -29.612 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.268 -29.574 3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.155 -31.610 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.313 -31.491 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.075 -32.617 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.685 -33.339 0.041 1.00 0.00 H new ATOM 539 N GLY A 37 19.625 -27.221 0.649 1.00 0.00 N ATOM 540 CA GLY A 37 19.946 -25.895 0.153 1.00 0.00 C ATOM 541 C GLY A 37 21.372 -25.795 -0.352 1.00 0.00 C ATOM 542 O GLY A 37 21.943 -24.706 -0.405 1.00 0.00 O ATOM 0 H GLY A 37 19.336 -27.888 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.259 -25.636 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.794 -25.166 0.949 1.00 0.00 H new ATOM 546 N ILE A 38 21.948 -26.933 -0.723 1.00 0.00 N ATOM 547 CA ILE A 38 23.316 -26.969 -1.226 1.00 0.00 C ATOM 548 C ILE A 38 23.361 -26.656 -2.718 1.00 0.00 C ATOM 549 O ILE A 38 22.562 -27.177 -3.497 1.00 0.00 O ATOM 550 CB ILE A 38 23.971 -28.340 -0.980 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.933 -28.688 0.510 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.403 -28.343 -1.494 1.00 0.00 C ATOM 553 CD1 ILE A 38 23.886 -30.175 0.782 1.00 0.00 C ATOM 0 H ILE A 38 21.489 -27.843 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 38 23.873 -26.207 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 38 23.409 -29.098 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.812 -28.266 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 38 23.061 -28.216 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.853 -29.319 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.406 -28.135 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.978 -27.577 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 38 23.861 -30.347 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 38 22.992 -30.600 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.771 -30.650 0.359 1.00 0.00 H new ATOM 565 N PHE A 39 24.302 -25.804 -3.110 1.00 0.00 N ATOM 566 CA PHE A 39 24.454 -25.423 -4.509 1.00 0.00 C ATOM 567 C PHE A 39 25.926 -25.397 -4.910 1.00 0.00 C ATOM 568 O PHE A 39 26.807 -25.244 -4.065 1.00 0.00 O ATOM 569 CB PHE A 39 23.821 -24.051 -4.757 1.00 0.00 C ATOM 570 CG PHE A 39 24.580 -22.919 -4.126 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.594 -22.759 -2.750 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.280 -22.015 -4.909 1.00 0.00 C ATOM 573 CE1 PHE A 39 25.291 -21.717 -2.167 1.00 0.00 C ATOM 574 CE2 PHE A 39 25.978 -20.971 -4.332 1.00 0.00 C ATOM 575 CZ PHE A 39 25.985 -20.823 -2.959 1.00 0.00 C ATOM 0 H PHE A 39 24.971 -25.364 -2.478 1.00 0.00 H new ATOM 0 HA PHE A 39 23.943 -26.167 -5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.754 -23.879 -5.831 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.802 -24.055 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 39 24.054 -23.456 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.280 -22.128 -5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 39 25.293 -21.602 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.517 -20.272 -4.954 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.532 -20.010 -2.505 1.00 0.00 H new ATOM 585 N ARG A 40 26.183 -25.548 -6.205 1.00 0.00 N ATOM 586 CA ARG A 40 27.547 -25.544 -6.719 1.00 0.00 C ATOM 587 C ARG A 40 27.774 -24.356 -7.649 1.00 0.00 C ATOM 588 O ARG A 40 26.845 -23.876 -8.299 1.00 0.00 O ATOM 589 CB ARG A 40 27.840 -26.849 -7.460 1.00 0.00 C ATOM 590 CG ARG A 40 29.165 -26.843 -8.205 1.00 0.00 C ATOM 591 CD ARG A 40 29.226 -27.954 -9.242 1.00 0.00 C ATOM 592 NE ARG A 40 29.970 -27.552 -10.432 1.00 0.00 N ATOM 593 CZ ARG A 40 29.959 -28.235 -11.571 1.00 0.00 C ATOM 594 NH1 ARG A 40 29.246 -29.348 -11.674 1.00 0.00 N ATOM 595 NH2 ARG A 40 30.662 -27.805 -12.611 1.00 0.00 N ATOM 0 H ARG A 40 25.464 -25.675 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 40 28.227 -25.455 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.839 -27.671 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.035 -27.043 -8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.304 -25.879 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.983 -26.961 -7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.694 -28.835 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.213 -28.240 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 40 30.529 -26.700 -10.386 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.704 -29.682 -10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 40 29.240 -29.870 -12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 40 31.212 -26.949 -12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 40 30.653 -28.330 -13.485 1.00 0.00 H new ATOM 609 N VAL A 41 29.016 -23.885 -7.708 1.00 0.00 N ATOM 610 CA VAL A 41 29.366 -22.754 -8.558 1.00 0.00 C ATOM 611 C VAL A 41 30.048 -23.221 -9.840 1.00 0.00 C ATOM 612 O VAL A 41 31.272 -23.165 -9.961 1.00 0.00 O ATOM 613 CB VAL A 41 30.294 -21.767 -7.826 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.594 -20.563 -8.706 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.675 -21.333 -6.507 1.00 0.00 C ATOM 0 H VAL A 41 29.797 -24.270 -7.176 1.00 0.00 H new ATOM 0 HA VAL A 41 28.435 -22.246 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 41 31.235 -22.272 -7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.251 -19.877 -8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.083 -20.895 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.663 -20.054 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.344 -20.636 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.719 -20.845 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.518 -22.206 -5.874 1.00 0.00 H new ATOM 625 N VAL A 42 29.247 -23.680 -10.796 1.00 0.00 N ATOM 626 CA VAL A 42 29.772 -24.155 -12.071 1.00 0.00 C ATOM 627 C VAL A 42 30.715 -23.131 -12.692 1.00 0.00 C ATOM 628 O VAL A 42 31.801 -23.473 -13.161 1.00 0.00 O ATOM 629 CB VAL A 42 28.637 -24.462 -13.066 1.00 0.00 C ATOM 630 CG1 VAL A 42 29.206 -24.954 -14.388 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.675 -25.483 -12.477 1.00 0.00 C ATOM 0 H VAL A 42 28.232 -23.733 -10.712 1.00 0.00 H new ATOM 0 HA VAL A 42 30.322 -25.073 -11.865 1.00 0.00 H new ATOM 0 HB VAL A 42 28.083 -23.542 -13.256 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.390 -25.166 -15.079 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.852 -24.187 -14.814 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.784 -25.863 -14.220 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.879 -25.688 -13.193 1.00 0.00 H new ATOM 0 HG22 VAL A 42 28.213 -26.405 -12.258 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.243 -25.088 -11.558 1.00 0.00 H new ATOM 641 N LYS A 43 30.293 -21.871 -12.693 1.00 0.00 N ATOM 642 CA LYS A 43 31.100 -20.794 -13.256 1.00 0.00 C ATOM 643 C LYS A 43 31.535 -19.816 -12.169 1.00 0.00 C ATOM 644 O LYS A 43 30.844 -18.837 -11.889 1.00 0.00 O ATOM 645 CB LYS A 43 30.313 -20.052 -14.339 1.00 0.00 C ATOM 646 CG LYS A 43 30.037 -20.893 -15.573 1.00 0.00 C ATOM 647 CD LYS A 43 29.128 -20.166 -16.551 1.00 0.00 C ATOM 648 CE LYS A 43 28.797 -21.035 -17.754 1.00 0.00 C ATOM 649 NZ LYS A 43 29.535 -20.600 -18.972 1.00 0.00 N ATOM 0 H LYS A 43 29.397 -21.570 -12.310 1.00 0.00 H new ATOM 0 HA LYS A 43 31.991 -21.236 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.365 -19.714 -13.920 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.867 -19.161 -14.633 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.978 -21.140 -16.064 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.575 -21.835 -15.277 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.207 -19.875 -16.046 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.611 -19.248 -16.886 1.00 0.00 H new ATOM 0 HE2 LYS A 43 29.044 -22.073 -17.531 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.725 -20.996 -17.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.282 -21.217 -19.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.280 -19.618 -19.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.559 -20.661 -18.798 1.00 0.00 H new ATOM 663 N SER A 44 32.686 -20.088 -11.562 1.00 0.00 N ATOM 664 CA SER A 44 33.213 -19.233 -10.504 1.00 0.00 C ATOM 665 C SER A 44 33.604 -17.865 -11.056 1.00 0.00 C ATOM 666 O SER A 44 33.682 -16.885 -10.315 1.00 0.00 O ATOM 667 CB SER A 44 34.423 -19.893 -9.841 1.00 0.00 C ATOM 668 OG SER A 44 35.521 -19.959 -10.734 1.00 0.00 O ATOM 0 H SER A 44 33.271 -20.893 -11.784 1.00 0.00 H new ATOM 0 HA SER A 44 32.430 -19.095 -9.758 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.707 -19.330 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.158 -20.897 -9.511 1.00 0.00 H new ATOM 0 HG SER A 44 36.282 -20.383 -10.286 1.00 0.00 H new ATOM 674 N GLU A 45 33.847 -17.807 -12.361 1.00 0.00 N ATOM 675 CA GLU A 45 34.231 -16.560 -13.012 1.00 0.00 C ATOM 676 C GLU A 45 33.006 -15.694 -13.293 1.00 0.00 C ATOM 677 O GLU A 45 32.992 -14.502 -12.988 1.00 0.00 O ATOM 678 CB GLU A 45 34.975 -16.848 -14.317 1.00 0.00 C ATOM 679 CG GLU A 45 36.351 -17.460 -14.111 1.00 0.00 C ATOM 680 CD GLU A 45 37.414 -16.420 -13.815 1.00 0.00 C ATOM 681 OE1 GLU A 45 37.831 -15.714 -14.755 1.00 0.00 O ATOM 682 OE2 GLU A 45 37.828 -16.314 -12.641 1.00 0.00 O ATOM 0 H GLU A 45 33.785 -18.609 -12.988 1.00 0.00 H new ATOM 0 HA GLU A 45 34.893 -16.016 -12.337 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.374 -17.523 -14.927 1.00 0.00 H new ATOM 0 HB3 GLU A 45 35.080 -15.919 -14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 45 36.308 -18.174 -13.288 1.00 0.00 H new ATOM 0 HG3 GLU A 45 36.633 -18.019 -15.003 1.00 0.00 H new ATOM 689 N ALA A 46 31.979 -16.303 -13.878 1.00 0.00 N ATOM 690 CA ALA A 46 30.750 -15.590 -14.199 1.00 0.00 C ATOM 691 C ALA A 46 30.014 -15.165 -12.932 1.00 0.00 C ATOM 692 O ALA A 46 29.350 -14.128 -12.905 1.00 0.00 O ATOM 693 CB ALA A 46 29.850 -16.454 -15.069 1.00 0.00 C ATOM 0 H ALA A 46 31.975 -17.289 -14.139 1.00 0.00 H new ATOM 0 HA ALA A 46 31.016 -14.690 -14.753 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.935 -15.908 -15.301 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.369 -16.703 -15.995 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.600 -17.371 -14.536 1.00 0.00 H new ATOM 699 N LEU A 47 30.136 -15.972 -11.884 1.00 0.00 N ATOM 700 CA LEU A 47 29.482 -15.681 -10.613 1.00 0.00 C ATOM 701 C LEU A 47 29.907 -14.315 -10.083 1.00 0.00 C ATOM 702 O LEU A 47 29.069 -13.468 -9.779 1.00 0.00 O ATOM 703 CB LEU A 47 29.812 -16.765 -9.587 1.00 0.00 C ATOM 704 CG LEU A 47 29.510 -16.422 -8.127 1.00 0.00 C ATOM 705 CD1 LEU A 47 28.039 -16.078 -7.954 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.901 -17.577 -7.216 1.00 0.00 C ATOM 0 H LEU A 47 30.682 -16.833 -11.889 1.00 0.00 H new ATOM 0 HA LEU A 47 28.405 -15.666 -10.781 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.258 -17.666 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.872 -17.006 -9.671 1.00 0.00 H new ATOM 0 HG LEU A 47 30.101 -15.550 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.842 -15.837 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.790 -15.219 -8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.429 -16.931 -8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.679 -17.315 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.337 -18.467 -7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.968 -17.777 -7.319 1.00 0.00 H new ATOM 718 N ALA A 48 31.216 -14.109 -9.976 1.00 0.00 N ATOM 719 CA ALA A 48 31.753 -12.846 -9.487 1.00 0.00 C ATOM 720 C ALA A 48 31.482 -11.715 -10.473 1.00 0.00 C ATOM 721 O ALA A 48 30.965 -10.662 -10.101 1.00 0.00 O ATOM 722 CB ALA A 48 33.246 -12.973 -9.224 1.00 0.00 C ATOM 0 H ALA A 48 31.924 -14.801 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 48 31.250 -12.605 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.633 -12.022 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.419 -13.746 -8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.757 -13.242 -10.149 1.00 0.00 H new ATOM 728 N LYS A 49 31.836 -11.939 -11.734 1.00 0.00 N ATOM 729 CA LYS A 49 31.631 -10.940 -12.776 1.00 0.00 C ATOM 730 C LYS A 49 30.237 -10.329 -12.677 1.00 0.00 C ATOM 731 O LYS A 49 30.078 -9.110 -12.743 1.00 0.00 O ATOM 732 CB LYS A 49 31.828 -11.567 -14.159 1.00 0.00 C ATOM 733 CG LYS A 49 33.030 -11.020 -14.909 1.00 0.00 C ATOM 734 CD LYS A 49 34.007 -12.124 -15.277 1.00 0.00 C ATOM 735 CE LYS A 49 34.994 -11.664 -16.339 1.00 0.00 C ATOM 736 NZ LYS A 49 35.578 -12.811 -17.088 1.00 0.00 N ATOM 0 H LYS A 49 32.267 -12.805 -12.059 1.00 0.00 H new ATOM 0 HA LYS A 49 32.367 -10.148 -12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.940 -12.645 -14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.931 -11.400 -14.756 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.695 -10.512 -15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.536 -10.275 -14.294 1.00 0.00 H new ATOM 0 HD2 LYS A 49 34.550 -12.442 -14.387 1.00 0.00 H new ATOM 0 HD3 LYS A 49 33.457 -12.992 -15.641 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.491 -10.994 -17.036 1.00 0.00 H new ATOM 0 HE3 LYS A 49 35.794 -11.093 -15.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 36.245 -12.456 -17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 36.080 -13.438 -16.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 34.817 -13.342 -17.559 1.00 0.00 H new ATOM 750 N MET A 50 29.231 -11.183 -12.517 1.00 0.00 N ATOM 751 CA MET A 50 27.851 -10.725 -12.407 1.00 0.00 C ATOM 752 C MET A 50 27.626 -9.992 -11.088 1.00 0.00 C ATOM 753 O MET A 50 26.952 -8.963 -11.047 1.00 0.00 O ATOM 754 CB MET A 50 26.888 -11.909 -12.517 1.00 0.00 C ATOM 755 CG MET A 50 26.393 -12.159 -13.932 1.00 0.00 C ATOM 756 SD MET A 50 24.711 -11.564 -14.194 1.00 0.00 S ATOM 757 CE MET A 50 23.823 -12.501 -12.952 1.00 0.00 C ATOM 0 H MET A 50 29.346 -12.195 -12.461 1.00 0.00 H new ATOM 0 HA MET A 50 27.657 -10.032 -13.226 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.386 -12.807 -12.151 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.031 -11.732 -11.867 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.062 -11.668 -14.639 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.433 -13.227 -14.144 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.860 -12.816 -13.353 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.405 -13.380 -12.674 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.663 -11.878 -12.072 1.00 0.00 H new ATOM 767 N TRP A 51 28.193 -10.529 -10.014 1.00 0.00 N ATOM 768 CA TRP A 51 28.053 -9.926 -8.693 1.00 0.00 C ATOM 769 C TRP A 51 28.525 -8.476 -8.704 1.00 0.00 C ATOM 770 O TRP A 51 27.786 -7.569 -8.325 1.00 0.00 O ATOM 771 CB TRP A 51 28.845 -10.725 -7.658 1.00 0.00 C ATOM 772 CG TRP A 51 28.892 -10.070 -6.311 1.00 0.00 C ATOM 773 CD1 TRP A 51 30.001 -9.847 -5.546 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.781 -9.555 -5.569 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.647 -9.225 -4.374 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.291 -9.034 -4.363 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.406 -9.482 -5.806 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.472 -8.450 -3.400 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.595 -8.902 -4.849 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.130 -8.391 -3.659 1.00 0.00 C ATOM 0 H TRP A 51 28.754 -11.381 -10.032 1.00 0.00 H new ATOM 0 HA TRP A 51 26.997 -9.943 -8.424 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.401 -11.715 -7.557 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.863 -10.867 -8.021 1.00 0.00 H new ATOM 0 HD1 TRP A 51 31.009 -10.120 -5.822 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.290 -8.950 -3.632 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.984 -9.872 -6.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.882 -8.057 -2.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.531 -8.842 -5.021 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.470 -7.942 -2.932 1.00 0.00 H new ATOM 791 N GLY A 52 29.763 -8.265 -9.143 1.00 0.00 N ATOM 792 CA GLY A 52 30.312 -6.923 -9.195 1.00 0.00 C ATOM 793 C GLY A 52 29.352 -5.927 -9.816 1.00 0.00 C ATOM 794 O GLY A 52 29.094 -4.867 -9.246 1.00 0.00 O ATOM 0 H GLY A 52 30.394 -8.999 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.565 -6.598 -8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.239 -6.935 -9.768 1.00 0.00 H new ATOM 798 N GLN A 53 28.824 -6.268 -10.987 1.00 0.00 N ATOM 799 CA GLN A 53 27.890 -5.394 -11.686 1.00 0.00 C ATOM 800 C GLN A 53 26.824 -4.862 -10.733 1.00 0.00 C ATOM 801 O GLN A 53 26.364 -3.729 -10.870 1.00 0.00 O ATOM 802 CB GLN A 53 27.227 -6.142 -12.844 1.00 0.00 C ATOM 803 CG GLN A 53 28.170 -6.429 -14.001 1.00 0.00 C ATOM 804 CD GLN A 53 27.987 -5.464 -15.156 1.00 0.00 C ATOM 805 OE1 GLN A 53 28.941 -4.826 -15.603 1.00 0.00 O ATOM 806 NE2 GLN A 53 26.758 -5.353 -15.646 1.00 0.00 N ATOM 0 H GLN A 53 29.027 -7.143 -11.471 1.00 0.00 H new ATOM 0 HA GLN A 53 28.452 -4.548 -12.083 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.823 -7.084 -12.473 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.384 -5.555 -13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.200 -6.375 -13.647 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.007 -7.447 -14.354 1.00 0.00 H new ATOM 0 HE21 GLN A 53 25.997 -5.901 -15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 53 26.574 -4.719 -16.424 1.00 0.00 H new ATOM 815 N ARG A 54 26.437 -5.689 -9.767 1.00 0.00 N ATOM 816 CA ARG A 54 25.424 -5.302 -8.791 1.00 0.00 C ATOM 817 C ARG A 54 25.982 -4.282 -7.803 1.00 0.00 C ATOM 818 O ARG A 54 25.266 -3.396 -7.338 1.00 0.00 O ATOM 819 CB ARG A 54 24.915 -6.532 -8.038 1.00 0.00 C ATOM 820 CG ARG A 54 24.801 -7.774 -8.907 1.00 0.00 C ATOM 821 CD ARG A 54 23.971 -7.509 -10.152 1.00 0.00 C ATOM 822 NE ARG A 54 22.543 -7.698 -9.909 1.00 0.00 N ATOM 823 CZ ARG A 54 21.591 -7.116 -10.630 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.913 -6.314 -11.635 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.314 -7.338 -10.347 1.00 0.00 N ATOM 0 H ARG A 54 26.809 -6.630 -9.639 1.00 0.00 H new ATOM 0 HA ARG A 54 24.594 -4.844 -9.329 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.587 -6.742 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 54 23.938 -6.307 -7.610 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.797 -8.109 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.348 -8.581 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.148 -6.490 -10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.294 -8.176 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 54 22.261 -8.311 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.894 -6.142 -11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.180 -5.868 -12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.063 -7.956 -9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.584 -6.891 -10.901 1.00 0.00 H new ATOM 839 N LYS A 55 27.266 -4.414 -7.486 1.00 0.00 N ATOM 840 CA LYS A 55 27.922 -3.505 -6.554 1.00 0.00 C ATOM 841 C LYS A 55 28.768 -2.478 -7.300 1.00 0.00 C ATOM 842 O LYS A 55 29.509 -1.707 -6.690 1.00 0.00 O ATOM 843 CB LYS A 55 28.799 -4.290 -5.576 1.00 0.00 C ATOM 844 CG LYS A 55 28.011 -5.191 -4.641 1.00 0.00 C ATOM 845 CD LYS A 55 28.098 -4.714 -3.201 1.00 0.00 C ATOM 846 CE LYS A 55 26.752 -4.809 -2.500 1.00 0.00 C ATOM 847 NZ LYS A 55 26.870 -5.444 -1.158 1.00 0.00 N ATOM 0 H LYS A 55 27.873 -5.143 -7.861 1.00 0.00 H new ATOM 0 HA LYS A 55 27.149 -2.977 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.506 -4.897 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.385 -3.588 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 55 26.967 -5.217 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.391 -6.210 -4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.833 -5.312 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 55 28.449 -3.682 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.327 -3.811 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.062 -5.386 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.932 -5.491 -0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 27.252 -6.406 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.509 -4.880 -0.562 1.00 0.00 H new ATOM 861 N LYS A 56 28.653 -2.473 -8.624 1.00 0.00 N ATOM 862 CA LYS A 56 29.404 -1.539 -9.454 1.00 0.00 C ATOM 863 C LYS A 56 30.905 -1.695 -9.227 1.00 0.00 C ATOM 864 O LYS A 56 31.663 -0.734 -9.344 1.00 0.00 O ATOM 865 CB LYS A 56 28.979 -0.100 -9.153 1.00 0.00 C ATOM 866 CG LYS A 56 28.058 0.495 -10.203 1.00 0.00 C ATOM 867 CD LYS A 56 27.050 1.449 -9.585 1.00 0.00 C ATOM 868 CE LYS A 56 25.938 1.796 -10.563 1.00 0.00 C ATOM 869 NZ LYS A 56 26.250 3.023 -11.346 1.00 0.00 N ATOM 0 H LYS A 56 28.046 -3.106 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 56 29.186 -1.764 -10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.478 -0.073 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.870 0.523 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 56 28.650 1.024 -10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 56 27.531 -0.306 -10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 56 26.621 0.997 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 56 27.557 2.361 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.781 0.960 -11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.006 1.941 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.468 3.225 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 26.375 3.826 -10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 27.125 2.876 -11.888 1.00 0.00 H new ATOM 883 N ASN A 57 31.326 -2.914 -8.904 1.00 0.00 N ATOM 884 CA ASN A 57 32.736 -3.196 -8.661 1.00 0.00 C ATOM 885 C ASN A 57 33.380 -3.840 -9.885 1.00 0.00 C ATOM 886 O ASN A 57 33.514 -5.061 -9.959 1.00 0.00 O ATOM 887 CB ASN A 57 32.893 -4.113 -7.447 1.00 0.00 C ATOM 888 CG ASN A 57 34.343 -4.458 -7.166 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.192 -4.389 -8.055 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.632 -4.832 -5.925 1.00 0.00 N ATOM 0 H ASN A 57 30.711 -3.722 -8.805 1.00 0.00 H new ATOM 0 HA ASN A 57 33.241 -2.251 -8.461 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.461 -3.629 -6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.330 -5.031 -7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.590 -5.077 -5.676 1.00 0.00 H new ATOM 0 HD22 ASN A 57 33.896 -4.875 -5.221 1.00 0.00 H new ATOM 897 N ASP A 58 33.779 -3.009 -10.843 1.00 0.00 N ATOM 898 CA ASP A 58 34.411 -3.497 -12.063 1.00 0.00 C ATOM 899 C ASP A 58 35.577 -4.425 -11.738 1.00 0.00 C ATOM 900 O ASP A 58 35.954 -5.271 -12.548 1.00 0.00 O ATOM 901 CB ASP A 58 34.898 -2.323 -12.914 1.00 0.00 C ATOM 902 CG ASP A 58 36.353 -1.985 -12.655 1.00 0.00 C ATOM 903 OD1 ASP A 58 36.621 -1.171 -11.746 1.00 0.00 O ATOM 904 OD2 ASP A 58 37.224 -2.535 -13.361 1.00 0.00 O ATOM 0 H ASP A 58 33.676 -1.995 -10.798 1.00 0.00 H new ATOM 0 HA ASP A 58 33.669 -4.062 -12.627 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.766 -2.563 -13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.282 -1.448 -12.707 1.00 0.00 H new ATOM 909 N ARG A 59 36.145 -4.258 -10.548 1.00 0.00 N ATOM 910 CA ARG A 59 37.270 -5.079 -10.117 1.00 0.00 C ATOM 911 C ARG A 59 36.794 -6.239 -9.247 1.00 0.00 C ATOM 912 O ARG A 59 37.522 -6.712 -8.374 1.00 0.00 O ATOM 913 CB ARG A 59 38.282 -4.230 -9.345 1.00 0.00 C ATOM 914 CG ARG A 59 39.290 -3.524 -10.236 1.00 0.00 C ATOM 915 CD ARG A 59 40.615 -3.313 -9.520 1.00 0.00 C ATOM 916 NE ARG A 59 41.437 -2.300 -10.177 1.00 0.00 N ATOM 917 CZ ARG A 59 41.177 -0.998 -10.127 1.00 0.00 C ATOM 918 NH1 ARG A 59 40.124 -0.553 -9.455 1.00 0.00 N ATOM 919 NH2 ARG A 59 41.972 -0.137 -10.750 1.00 0.00 N ATOM 0 H ARG A 59 35.845 -3.562 -9.866 1.00 0.00 H new ATOM 0 HA ARG A 59 37.752 -5.487 -11.006 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.745 -3.485 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.816 -4.868 -8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 59 39.453 -4.112 -11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 59 38.888 -2.561 -10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 59 40.426 -3.014 -8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 59 41.161 -4.255 -9.484 1.00 0.00 H new ATOM 0 HE ARG A 59 42.255 -2.609 -10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 59 39.511 -1.211 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 59 39.928 0.447 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 59 42.783 -0.475 -11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 59 41.772 0.862 -10.711 1.00 0.00 H new ATOM 933 N MET A 60 35.569 -6.692 -9.492 1.00 0.00 N ATOM 934 CA MET A 60 34.997 -7.797 -8.731 1.00 0.00 C ATOM 935 C MET A 60 35.414 -9.139 -9.324 1.00 0.00 C ATOM 936 O MET A 60 35.345 -9.342 -10.537 1.00 0.00 O ATOM 937 CB MET A 60 33.471 -7.690 -8.705 1.00 0.00 C ATOM 938 CG MET A 60 32.789 -8.889 -8.066 1.00 0.00 C ATOM 939 SD MET A 60 33.373 -9.209 -6.390 1.00 0.00 S ATOM 940 CE MET A 60 32.574 -7.881 -5.493 1.00 0.00 C ATOM 0 H MET A 60 34.954 -6.311 -10.211 1.00 0.00 H new ATOM 0 HA MET A 60 35.376 -7.737 -7.711 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.187 -6.789 -8.162 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.105 -7.575 -9.725 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.712 -8.721 -8.046 1.00 0.00 H new ATOM 0 HG3 MET A 60 32.962 -9.772 -8.682 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.184 -8.262 -4.549 1.00 0.00 H new ATOM 0 HE2 MET A 60 33.297 -7.090 -5.294 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.754 -7.481 -6.089 1.00 0.00 H new ATOM 950 N THR A 61 35.849 -10.053 -8.462 1.00 0.00 N ATOM 951 CA THR A 61 36.278 -11.374 -8.901 1.00 0.00 C ATOM 952 C THR A 61 36.089 -12.409 -7.797 1.00 0.00 C ATOM 953 O THR A 61 36.092 -12.074 -6.612 1.00 0.00 O ATOM 954 CB THR A 61 37.756 -11.369 -9.336 1.00 0.00 C ATOM 955 OG1 THR A 61 38.117 -12.651 -9.862 1.00 0.00 O ATOM 956 CG2 THR A 61 38.663 -11.022 -8.165 1.00 0.00 C ATOM 0 H THR A 61 35.913 -9.902 -7.455 1.00 0.00 H new ATOM 0 HA THR A 61 35.656 -11.640 -9.756 1.00 0.00 H new ATOM 0 HB THR A 61 37.881 -10.612 -10.110 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.057 -12.639 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.702 -11.025 -8.496 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.405 -10.033 -7.786 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.533 -11.759 -7.373 1.00 0.00 H new ATOM 964 N TYR A 62 35.926 -13.666 -8.193 1.00 0.00 N ATOM 965 CA TYR A 62 35.734 -14.750 -7.236 1.00 0.00 C ATOM 966 C TYR A 62 36.629 -14.563 -6.015 1.00 0.00 C ATOM 967 O TYR A 62 36.148 -14.500 -4.884 1.00 0.00 O ATOM 968 CB TYR A 62 36.027 -16.098 -7.896 1.00 0.00 C ATOM 969 CG TYR A 62 35.379 -17.270 -7.193 1.00 0.00 C ATOM 970 CD1 TYR A 62 34.051 -17.214 -6.787 1.00 0.00 C ATOM 971 CD2 TYR A 62 36.094 -18.433 -6.937 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.455 -18.281 -6.144 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.505 -19.506 -6.295 1.00 0.00 C ATOM 974 CZ TYR A 62 34.186 -19.425 -5.901 1.00 0.00 C ATOM 975 OH TYR A 62 33.596 -20.491 -5.262 1.00 0.00 O ATOM 0 H TYR A 62 35.923 -13.960 -9.170 1.00 0.00 H new ATOM 0 HA TYR A 62 34.695 -14.732 -6.908 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.682 -16.069 -8.930 1.00 0.00 H new ATOM 0 HB3 TYR A 62 37.106 -16.253 -7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.475 -16.320 -6.978 1.00 0.00 H new ATOM 0 HD2 TYR A 62 37.127 -18.500 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.422 -18.220 -5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 62 36.075 -20.403 -6.103 1.00 0.00 H new ATOM 0 HH TYR A 62 33.716 -20.399 -4.294 1.00 0.00 H new ATOM 985 N GLU A 63 37.934 -14.475 -6.254 1.00 0.00 N ATOM 986 CA GLU A 63 38.897 -14.296 -5.173 1.00 0.00 C ATOM 987 C GLU A 63 38.368 -13.318 -4.129 1.00 0.00 C ATOM 988 O GLU A 63 38.515 -13.535 -2.926 1.00 0.00 O ATOM 989 CB GLU A 63 40.232 -13.795 -5.728 1.00 0.00 C ATOM 990 CG GLU A 63 40.956 -14.816 -6.589 1.00 0.00 C ATOM 991 CD GLU A 63 42.056 -14.197 -7.429 1.00 0.00 C ATOM 992 OE1 GLU A 63 43.083 -13.785 -6.850 1.00 0.00 O ATOM 993 OE2 GLU A 63 41.889 -14.124 -8.664 1.00 0.00 O ATOM 0 H GLU A 63 38.348 -14.525 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 63 39.051 -15.263 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.056 -12.895 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.877 -13.510 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.384 -15.587 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 63 40.237 -15.308 -7.244 1.00 0.00 H new ATOM 1000 N LYS A 64 37.750 -12.238 -4.598 1.00 0.00 N ATOM 1001 CA LYS A 64 37.197 -11.225 -3.707 1.00 0.00 C ATOM 1002 C LYS A 64 35.845 -11.665 -3.156 1.00 0.00 C ATOM 1003 O LYS A 64 35.629 -11.672 -1.943 1.00 0.00 O ATOM 1004 CB LYS A 64 37.051 -9.893 -4.445 1.00 0.00 C ATOM 1005 CG LYS A 64 38.352 -9.380 -5.039 1.00 0.00 C ATOM 1006 CD LYS A 64 38.102 -8.313 -6.092 1.00 0.00 C ATOM 1007 CE LYS A 64 37.328 -7.136 -5.519 1.00 0.00 C ATOM 1008 NZ LYS A 64 38.102 -5.866 -5.611 1.00 0.00 N ATOM 0 H LYS A 64 37.620 -12.042 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 64 37.885 -11.096 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.318 -10.008 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 64 36.657 -9.146 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 64 38.978 -8.971 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.902 -10.209 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 39.054 -7.964 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 64 37.546 -8.745 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 64 36.385 -7.026 -6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 64 37.081 -7.336 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 37.586 -5.108 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 39.033 -5.994 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.228 -5.608 -6.611 1.00 0.00 H new ATOM 1022 N LEU A 65 34.937 -12.032 -4.054 1.00 0.00 N ATOM 1023 CA LEU A 65 33.604 -12.475 -3.657 1.00 0.00 C ATOM 1024 C LEU A 65 33.681 -13.459 -2.495 1.00 0.00 C ATOM 1025 O LEU A 65 33.007 -13.289 -1.479 1.00 0.00 O ATOM 1026 CB LEU A 65 32.887 -13.123 -4.843 1.00 0.00 C ATOM 1027 CG LEU A 65 31.446 -13.568 -4.593 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.536 -13.079 -5.709 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.370 -15.083 -4.466 1.00 0.00 C ATOM 0 H LEU A 65 35.099 -12.032 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 65 33.039 -11.601 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.889 -12.417 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.464 -13.991 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 65 31.107 -13.127 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.514 -13.405 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.567 -11.990 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 65 30.873 -13.491 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.337 -15.382 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 65 31.728 -15.544 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 65 31.991 -15.410 -3.632 1.00 0.00 H new ATOM 1041 N SER A 66 34.509 -14.487 -2.650 1.00 0.00 N ATOM 1042 CA SER A 66 34.674 -15.499 -1.613 1.00 0.00 C ATOM 1043 C SER A 66 34.791 -14.853 -0.236 1.00 0.00 C ATOM 1044 O SER A 66 34.232 -15.347 0.743 1.00 0.00 O ATOM 1045 CB SER A 66 35.912 -16.353 -1.896 1.00 0.00 C ATOM 1046 OG SER A 66 37.084 -15.731 -1.398 1.00 0.00 O ATOM 0 H SER A 66 35.076 -14.641 -3.484 1.00 0.00 H new ATOM 0 HA SER A 66 33.791 -16.138 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 66 35.794 -17.334 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 66 36.010 -16.513 -2.970 1.00 0.00 H new ATOM 0 HG SER A 66 37.391 -15.053 -2.036 1.00 0.00 H new ATOM 1052 N ARG A 67 35.522 -13.745 -0.170 1.00 0.00 N ATOM 1053 CA ARG A 67 35.714 -13.031 1.086 1.00 0.00 C ATOM 1054 C ARG A 67 34.422 -13.000 1.897 1.00 0.00 C ATOM 1055 O ARG A 67 34.444 -13.112 3.123 1.00 0.00 O ATOM 1056 CB ARG A 67 36.195 -11.604 0.818 1.00 0.00 C ATOM 1057 CG ARG A 67 35.065 -10.604 0.637 1.00 0.00 C ATOM 1058 CD ARG A 67 35.595 -9.192 0.447 1.00 0.00 C ATOM 1059 NE ARG A 67 34.757 -8.198 1.114 1.00 0.00 N ATOM 1060 CZ ARG A 67 33.553 -7.842 0.680 1.00 0.00 C ATOM 1061 NH1 ARG A 67 33.049 -8.394 -0.415 1.00 0.00 N ATOM 1062 NH2 ARG A 67 32.851 -6.930 1.341 1.00 0.00 N ATOM 0 H ARG A 67 35.991 -13.323 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 67 36.472 -13.560 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.826 -11.281 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.818 -11.602 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.463 -10.887 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.409 -10.633 1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.611 -9.131 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 67 35.649 -8.965 -0.618 1.00 0.00 H new ATOM 0 HE ARG A 67 35.116 -7.753 1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 67 33.586 -9.094 -0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 67 32.124 -8.119 -0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 67 33.236 -6.502 2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 67 31.927 -6.657 1.007 1.00 0.00 H new ATOM 1076 N ALA A 68 33.299 -12.845 1.205 1.00 0.00 N ATOM 1077 CA ALA A 68 31.997 -12.801 1.860 1.00 0.00 C ATOM 1078 C ALA A 68 31.449 -14.205 2.088 1.00 0.00 C ATOM 1079 O ALA A 68 30.688 -14.441 3.028 1.00 0.00 O ATOM 1080 CB ALA A 68 31.019 -11.978 1.035 1.00 0.00 C ATOM 0 H ALA A 68 33.264 -12.748 0.190 1.00 0.00 H new ATOM 0 HA ALA A 68 32.124 -12.327 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 68 30.051 -11.954 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.398 -10.962 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.906 -12.428 0.049 1.00 0.00 H new ATOM 1086 N LEU A 69 31.839 -15.135 1.223 1.00 0.00 N ATOM 1087 CA LEU A 69 31.385 -16.517 1.330 1.00 0.00 C ATOM 1088 C LEU A 69 31.982 -17.193 2.561 1.00 0.00 C ATOM 1089 O LEU A 69 31.357 -18.063 3.168 1.00 0.00 O ATOM 1090 CB LEU A 69 31.765 -17.298 0.071 1.00 0.00 C ATOM 1091 CG LEU A 69 31.216 -16.753 -1.248 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.711 -17.589 -2.418 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.695 -16.719 -1.219 1.00 0.00 C ATOM 0 H LEU A 69 32.468 -14.957 0.440 1.00 0.00 H new ATOM 0 HA LEU A 69 30.300 -16.510 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.852 -17.331 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.421 -18.326 0.188 1.00 0.00 H new ATOM 0 HG LEU A 69 31.579 -15.734 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.310 -17.186 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.800 -17.561 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.378 -18.620 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.322 -16.328 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.311 -17.728 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.361 -16.076 -0.404 1.00 0.00 H new ATOM 1105 N ARG A 70 33.194 -16.785 2.923 1.00 0.00 N ATOM 1106 CA ARG A 70 33.875 -17.351 4.082 1.00 0.00 C ATOM 1107 C ARG A 70 33.547 -16.560 5.345 1.00 0.00 C ATOM 1108 O ARG A 70 33.700 -17.059 6.460 1.00 0.00 O ATOM 1109 CB ARG A 70 35.388 -17.364 3.854 1.00 0.00 C ATOM 1110 CG ARG A 70 35.811 -18.142 2.619 1.00 0.00 C ATOM 1111 CD ARG A 70 36.407 -19.492 2.987 1.00 0.00 C ATOM 1112 NE ARG A 70 37.505 -19.866 2.100 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.002 -21.095 2.023 1.00 0.00 C ATOM 1114 NH1 ARG A 70 37.501 -22.065 2.776 1.00 0.00 N ATOM 1115 NH2 ARG A 70 39.002 -21.357 1.191 1.00 0.00 N ATOM 0 H ARG A 70 33.724 -16.066 2.431 1.00 0.00 H new ATOM 0 HA ARG A 70 33.525 -18.375 4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.742 -16.337 3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.875 -17.795 4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.949 -18.289 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.542 -17.562 2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.766 -19.461 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 70 35.630 -20.255 2.944 1.00 0.00 H new ATOM 0 HE ARG A 70 37.913 -19.143 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 70 36.732 -21.868 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 70 37.885 -23.008 2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 70 39.390 -20.614 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 70 39.383 -22.301 1.133 1.00 0.00 H new ATOM 1129 N TYR A 71 33.097 -15.323 5.162 1.00 0.00 N ATOM 1130 CA TYR A 71 32.750 -14.462 6.286 1.00 0.00 C ATOM 1131 C TYR A 71 31.322 -14.725 6.754 1.00 0.00 C ATOM 1132 O TYR A 71 30.932 -14.325 7.851 1.00 0.00 O ATOM 1133 CB TYR A 71 32.908 -12.991 5.896 1.00 0.00 C ATOM 1134 CG TYR A 71 32.484 -12.028 6.982 1.00 0.00 C ATOM 1135 CD1 TYR A 71 31.166 -11.600 7.081 1.00 0.00 C ATOM 1136 CD2 TYR A 71 33.400 -11.546 7.908 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.773 -10.720 8.071 1.00 0.00 C ATOM 1138 CE2 TYR A 71 33.016 -10.667 8.902 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.702 -10.257 8.979 1.00 0.00 C ATOM 1140 OH TYR A 71 31.316 -9.380 9.967 1.00 0.00 O ATOM 0 H TYR A 71 32.964 -14.895 4.246 1.00 0.00 H new ATOM 0 HA TYR A 71 33.429 -14.689 7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.951 -12.801 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.320 -12.796 4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.436 -11.961 6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 71 34.430 -11.864 7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 71 29.744 -10.397 8.133 1.00 0.00 H new ATOM 0 HE2 TYR A 71 33.741 -10.303 9.615 1.00 0.00 H new ATOM 0 HH TYR A 71 32.090 -9.153 10.523 1.00 0.00 H new ATOM 1150 N TYR A 72 30.547 -15.402 5.914 1.00 0.00 N ATOM 1151 CA TYR A 72 29.161 -15.718 6.239 1.00 0.00 C ATOM 1152 C TYR A 72 29.085 -16.868 7.238 1.00 0.00 C ATOM 1153 O TYR A 72 28.097 -17.016 7.958 1.00 0.00 O ATOM 1154 CB TYR A 72 28.387 -16.078 4.970 1.00 0.00 C ATOM 1155 CG TYR A 72 27.836 -14.877 4.235 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.162 -13.871 4.915 1.00 0.00 C ATOM 1157 CD2 TYR A 72 27.991 -14.748 2.860 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.656 -12.772 4.248 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.490 -13.652 2.185 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.823 -12.667 2.883 1.00 0.00 C ATOM 1161 OH TYR A 72 26.323 -11.573 2.215 1.00 0.00 O ATOM 0 H TYR A 72 30.855 -15.742 5.003 1.00 0.00 H new ATOM 0 HA TYR A 72 28.710 -14.836 6.693 1.00 0.00 H new ATOM 0 HB2 TYR A 72 29.043 -16.634 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.563 -16.742 5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 72 27.031 -13.949 5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.512 -15.518 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.133 -12.000 4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.620 -13.567 1.116 1.00 0.00 H new ATOM 0 HH TYR A 72 26.882 -11.384 1.433 1.00 0.00 H new ATOM 1171 N TYR A 73 30.135 -17.681 7.277 1.00 0.00 N ATOM 1172 CA TYR A 73 30.188 -18.819 8.186 1.00 0.00 C ATOM 1173 C TYR A 73 30.138 -18.359 9.639 1.00 0.00 C ATOM 1174 O TYR A 73 29.729 -19.107 10.527 1.00 0.00 O ATOM 1175 CB TYR A 73 31.459 -19.635 7.941 1.00 0.00 C ATOM 1176 CG TYR A 73 31.563 -20.186 6.537 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.450 -20.710 5.891 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.775 -20.184 5.857 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.541 -21.215 4.608 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.874 -20.686 4.574 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.755 -21.201 3.954 1.00 0.00 C ATOM 1182 OH TYR A 73 31.850 -21.703 2.676 1.00 0.00 O ATOM 0 H TYR A 73 30.961 -17.573 6.689 1.00 0.00 H new ATOM 0 HA TYR A 73 29.318 -19.447 7.993 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.328 -19.008 8.142 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.492 -20.462 8.650 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.498 -20.723 6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.654 -19.783 6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.666 -21.618 4.120 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.823 -20.675 4.059 1.00 0.00 H new ATOM 0 HH TYR A 73 32.773 -21.617 2.359 1.00 0.00 H new ATOM 1192 N LYS A 74 30.558 -17.120 9.875 1.00 0.00 N ATOM 1193 CA LYS A 74 30.560 -16.556 11.220 1.00 0.00 C ATOM 1194 C LYS A 74 29.144 -16.209 11.667 1.00 0.00 C ATOM 1195 O LYS A 74 28.778 -16.418 12.824 1.00 0.00 O ATOM 1196 CB LYS A 74 31.442 -15.306 11.269 1.00 0.00 C ATOM 1197 CG LYS A 74 32.731 -15.439 10.475 1.00 0.00 C ATOM 1198 CD LYS A 74 33.908 -14.830 11.218 1.00 0.00 C ATOM 1199 CE LYS A 74 35.227 -15.439 10.768 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.388 -16.836 11.258 1.00 0.00 N ATOM 0 H LYS A 74 30.901 -16.488 9.152 1.00 0.00 H new ATOM 0 HA LYS A 74 30.963 -17.306 11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.876 -14.457 10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.686 -15.084 12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 74 32.930 -16.492 10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.616 -14.949 9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.927 -13.753 11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 74 33.782 -14.984 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.280 -15.428 9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 74 36.053 -14.828 11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.390 -17.110 11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 35.066 -16.897 12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 34.821 -17.478 10.668 1.00 0.00 H new ATOM 1214 N THR A 75 28.349 -15.679 10.742 1.00 0.00 N ATOM 1215 CA THR A 75 26.973 -15.304 11.041 1.00 0.00 C ATOM 1216 C THR A 75 26.025 -16.478 10.828 1.00 0.00 C ATOM 1217 O THR A 75 24.929 -16.513 11.387 1.00 0.00 O ATOM 1218 CB THR A 75 26.511 -14.121 10.169 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.239 -14.570 8.837 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.570 -13.028 10.135 1.00 0.00 C ATOM 0 H THR A 75 28.635 -15.500 9.779 1.00 0.00 H new ATOM 0 HA THR A 75 26.947 -15.005 12.089 1.00 0.00 H new ATOM 0 HB THR A 75 25.601 -13.710 10.606 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.855 -15.296 8.604 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.222 -12.203 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.753 -12.667 11.147 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.494 -13.430 9.720 1.00 0.00 H new ATOM 1228 N GLY A 76 26.453 -17.439 10.015 1.00 0.00 N ATOM 1229 CA GLY A 76 25.629 -18.603 9.743 1.00 0.00 C ATOM 1230 C GLY A 76 24.955 -18.532 8.387 1.00 0.00 C ATOM 1231 O GLY A 76 24.480 -19.543 7.870 1.00 0.00 O ATOM 0 H GLY A 76 27.356 -17.432 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.246 -19.500 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.869 -18.696 10.519 1.00 0.00 H new ATOM 1235 N ILE A 77 24.913 -17.335 7.812 1.00 0.00 N ATOM 1236 CA ILE A 77 24.292 -17.137 6.508 1.00 0.00 C ATOM 1237 C ILE A 77 24.652 -18.267 5.550 1.00 0.00 C ATOM 1238 O ILE A 77 23.803 -18.758 4.804 1.00 0.00 O ATOM 1239 CB ILE A 77 24.713 -15.794 5.882 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.189 -14.628 6.722 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.204 -15.694 4.452 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.742 -14.285 6.445 1.00 0.00 C ATOM 0 H ILE A 77 25.301 -16.488 8.228 1.00 0.00 H new ATOM 0 HA ILE A 77 23.214 -17.131 6.670 1.00 0.00 H new ATOM 0 HB ILE A 77 25.802 -15.744 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.300 -14.873 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.805 -13.749 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.509 -14.740 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.621 -16.508 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.116 -15.762 4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.439 -13.450 7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.628 -14.008 5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.115 -15.150 6.662 1.00 0.00 H new ATOM 1254 N LEU A 78 25.915 -18.677 5.576 1.00 0.00 N ATOM 1255 CA LEU A 78 26.388 -19.752 4.711 1.00 0.00 C ATOM 1256 C LEU A 78 26.856 -20.948 5.534 1.00 0.00 C ATOM 1257 O LEU A 78 27.021 -20.850 6.749 1.00 0.00 O ATOM 1258 CB LEU A 78 27.529 -19.253 3.822 1.00 0.00 C ATOM 1259 CG LEU A 78 27.126 -18.727 2.444 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.330 -18.142 1.722 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.492 -19.835 1.615 1.00 0.00 C ATOM 0 H LEU A 78 26.630 -18.281 6.187 1.00 0.00 H new ATOM 0 HA LEU A 78 25.557 -20.070 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.055 -18.459 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.239 -20.069 3.684 1.00 0.00 H new ATOM 0 HG LEU A 78 26.390 -17.935 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.023 -17.773 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.741 -17.320 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.090 -18.914 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.211 -19.443 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.206 -20.649 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.604 -20.208 2.125 1.00 0.00 H new ATOM 1273 N GLU A 79 27.070 -22.075 4.862 1.00 0.00 N ATOM 1274 CA GLU A 79 27.520 -23.289 5.533 1.00 0.00 C ATOM 1275 C GLU A 79 28.784 -23.837 4.876 1.00 0.00 C ATOM 1276 O GLU A 79 28.792 -24.148 3.685 1.00 0.00 O ATOM 1277 CB GLU A 79 26.418 -24.351 5.507 1.00 0.00 C ATOM 1278 CG GLU A 79 25.666 -24.479 6.821 1.00 0.00 C ATOM 1279 CD GLU A 79 26.154 -25.643 7.662 1.00 0.00 C ATOM 1280 OE1 GLU A 79 27.314 -25.597 8.121 1.00 0.00 O ATOM 1281 OE2 GLU A 79 25.376 -26.599 7.860 1.00 0.00 O ATOM 0 H GLU A 79 26.939 -22.173 3.855 1.00 0.00 H new ATOM 0 HA GLU A 79 27.749 -23.038 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.710 -24.108 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.860 -25.315 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.774 -23.555 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.603 -24.604 6.616 1.00 0.00 H new ATOM 1288 N ARG A 80 29.850 -23.951 5.661 1.00 0.00 N ATOM 1289 CA ARG A 80 31.120 -24.458 5.156 1.00 0.00 C ATOM 1290 C ARG A 80 30.968 -25.886 4.641 1.00 0.00 C ATOM 1291 O ARG A 80 30.359 -26.733 5.295 1.00 0.00 O ATOM 1292 CB ARG A 80 32.184 -24.412 6.254 1.00 0.00 C ATOM 1293 CG ARG A 80 33.593 -24.192 5.727 1.00 0.00 C ATOM 1294 CD ARG A 80 34.419 -23.346 6.682 1.00 0.00 C ATOM 1295 NE ARG A 80 35.854 -23.523 6.470 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.784 -22.847 7.135 1.00 0.00 C ATOM 1297 NH1 ARG A 80 36.432 -21.954 8.050 1.00 0.00 N ATOM 1298 NH2 ARG A 80 38.069 -23.064 6.886 1.00 0.00 N ATOM 0 H ARG A 80 29.859 -23.699 6.649 1.00 0.00 H new ATOM 0 HA ARG A 80 31.434 -23.822 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.938 -23.613 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 80 32.156 -25.346 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.081 -25.155 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.546 -23.703 4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 80 34.160 -22.295 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 80 34.169 -23.611 7.709 1.00 0.00 H new ATOM 0 HE ARG A 80 36.158 -24.203 5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 80 35.445 -21.785 8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 80 37.148 -21.436 8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 80 38.343 -23.750 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.782 -22.544 7.397 1.00 0.00 H new ATOM 1312 N VAL A 81 31.526 -26.147 3.462 1.00 0.00 N ATOM 1313 CA VAL A 81 31.453 -27.472 2.859 1.00 0.00 C ATOM 1314 C VAL A 81 32.845 -28.023 2.573 1.00 0.00 C ATOM 1315 O VAL A 81 33.790 -27.266 2.350 1.00 0.00 O ATOM 1316 CB VAL A 81 30.644 -27.448 1.548 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.528 -28.849 0.966 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.267 -26.845 1.784 1.00 0.00 C ATOM 0 H VAL A 81 32.033 -25.458 2.906 1.00 0.00 H new ATOM 0 HA VAL A 81 30.949 -28.119 3.577 1.00 0.00 H new ATOM 0 HB VAL A 81 31.171 -26.823 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 81 29.953 -28.812 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.524 -29.241 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 81 30.023 -29.499 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.709 -26.836 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.730 -27.442 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.375 -25.825 2.152 1.00 0.00 H new ATOM 1328 N ASP A 82 32.965 -29.346 2.581 1.00 0.00 N ATOM 1329 CA ASP A 82 34.243 -30.000 2.321 1.00 0.00 C ATOM 1330 C ASP A 82 34.351 -30.419 0.858 1.00 0.00 C ATOM 1331 O ASP A 82 34.954 -31.444 0.539 1.00 0.00 O ATOM 1332 CB ASP A 82 34.410 -31.220 3.228 1.00 0.00 C ATOM 1333 CG ASP A 82 35.447 -30.999 4.311 1.00 0.00 C ATOM 1334 OD1 ASP A 82 36.477 -30.355 4.023 1.00 0.00 O ATOM 1335 OD2 ASP A 82 35.230 -31.470 5.447 1.00 0.00 O ATOM 0 H ASP A 82 32.193 -29.987 2.765 1.00 0.00 H new ATOM 0 HA ASP A 82 35.039 -29.287 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.452 -31.460 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 82 34.697 -32.081 2.625 1.00 0.00 H new ATOM 1340 N ARG A 83 33.762 -29.620 -0.026 1.00 0.00 N ATOM 1341 CA ARG A 83 33.791 -29.910 -1.454 1.00 0.00 C ATOM 1342 C ARG A 83 34.450 -28.771 -2.227 1.00 0.00 C ATOM 1343 O ARG A 83 34.885 -27.780 -1.641 1.00 0.00 O ATOM 1344 CB ARG A 83 32.372 -30.141 -1.978 1.00 0.00 C ATOM 1345 CG ARG A 83 31.965 -31.605 -2.007 1.00 0.00 C ATOM 1346 CD ARG A 83 30.555 -31.802 -1.471 1.00 0.00 C ATOM 1347 NE ARG A 83 30.363 -33.139 -0.915 1.00 0.00 N ATOM 1348 CZ ARG A 83 30.861 -33.527 0.253 1.00 0.00 C ATOM 1349 NH1 ARG A 83 31.577 -32.686 0.985 1.00 0.00 N ATOM 1350 NH2 ARG A 83 30.642 -34.761 0.692 1.00 0.00 N ATOM 0 H ARG A 83 33.259 -28.768 0.222 1.00 0.00 H new ATOM 0 HA ARG A 83 34.379 -30.816 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.669 -29.589 -1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.294 -29.731 -2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.023 -31.980 -3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.666 -32.191 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.352 -31.057 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 83 29.836 -31.636 -2.273 1.00 0.00 H new ATOM 0 HE ARG A 83 29.817 -33.811 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 83 31.747 -31.737 0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 83 31.958 -32.987 1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 83 30.091 -35.411 0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 83 31.025 -35.059 1.589 1.00 0.00 H new ATOM 1364 N ARG A 84 34.520 -28.920 -3.546 1.00 0.00 N ATOM 1365 CA ARG A 84 35.127 -27.906 -4.398 1.00 0.00 C ATOM 1366 C ARG A 84 34.058 -27.060 -5.084 1.00 0.00 C ATOM 1367 O ARG A 84 33.159 -27.588 -5.740 1.00 0.00 O ATOM 1368 CB ARG A 84 36.024 -28.563 -5.449 1.00 0.00 C ATOM 1369 CG ARG A 84 36.486 -27.608 -6.538 1.00 0.00 C ATOM 1370 CD ARG A 84 38.002 -27.590 -6.658 1.00 0.00 C ATOM 1371 NE ARG A 84 38.493 -26.329 -7.206 1.00 0.00 N ATOM 1372 CZ ARG A 84 38.478 -25.181 -6.536 1.00 0.00 C ATOM 1373 NH1 ARG A 84 37.998 -25.137 -5.301 1.00 0.00 N ATOM 1374 NH2 ARG A 84 38.943 -24.075 -7.103 1.00 0.00 N ATOM 0 H ARG A 84 34.164 -29.734 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 84 35.733 -27.254 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.898 -28.987 -4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 84 35.484 -29.391 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 84 36.048 -27.903 -7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 84 36.125 -26.603 -6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 84 38.445 -27.755 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.325 -28.413 -7.296 1.00 0.00 H new ATOM 0 HE ARG A 84 38.868 -26.329 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 84 37.639 -25.985 -4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 84 37.988 -24.255 -4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 84 39.312 -24.106 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 84 38.931 -23.194 -6.588 1.00 0.00 H new ATOM 1388 N LEU A 85 34.161 -25.745 -4.926 1.00 0.00 N ATOM 1389 CA LEU A 85 33.202 -24.825 -5.529 1.00 0.00 C ATOM 1390 C LEU A 85 31.772 -25.219 -5.174 1.00 0.00 C ATOM 1391 O LEU A 85 30.854 -25.055 -5.977 1.00 0.00 O ATOM 1392 CB LEU A 85 33.374 -24.802 -7.049 1.00 0.00 C ATOM 1393 CG LEU A 85 34.311 -23.727 -7.602 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.702 -23.873 -7.006 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.368 -23.800 -9.121 1.00 0.00 C ATOM 0 H LEU A 85 34.898 -25.292 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 85 33.394 -23.828 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.744 -25.777 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.392 -24.669 -7.504 1.00 0.00 H new ATOM 0 HG LEU A 85 33.919 -22.750 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.354 -23.100 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.646 -23.770 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 85 36.104 -24.855 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.039 -23.028 -9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.736 -24.780 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.370 -23.644 -9.530 1.00 0.00 H new ATOM 1407 N VAL A 86 31.590 -25.738 -3.964 1.00 0.00 N ATOM 1408 CA VAL A 86 30.271 -26.152 -3.500 1.00 0.00 C ATOM 1409 C VAL A 86 29.919 -25.484 -2.176 1.00 0.00 C ATOM 1410 O VAL A 86 30.563 -25.728 -1.155 1.00 0.00 O ATOM 1411 CB VAL A 86 30.191 -27.681 -3.329 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.963 -28.064 -2.516 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.178 -28.369 -4.686 1.00 0.00 C ATOM 0 H VAL A 86 32.339 -25.882 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 86 29.556 -25.841 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 86 31.075 -28.015 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.923 -29.148 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 86 29.020 -27.601 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 86 28.065 -27.718 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.121 -29.448 -4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.313 -28.031 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.090 -28.121 -5.228 1.00 0.00 H new ATOM 1423 N TYR A 87 28.893 -24.641 -2.200 1.00 0.00 N ATOM 1424 CA TYR A 87 28.456 -23.935 -1.001 1.00 0.00 C ATOM 1425 C TYR A 87 27.028 -24.325 -0.629 1.00 0.00 C ATOM 1426 O TYR A 87 26.324 -24.968 -1.408 1.00 0.00 O ATOM 1427 CB TYR A 87 28.544 -22.423 -1.213 1.00 0.00 C ATOM 1428 CG TYR A 87 29.936 -21.939 -1.551 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.555 -22.317 -2.737 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.633 -21.105 -0.685 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.827 -21.878 -3.050 1.00 0.00 C ATOM 1432 CE2 TYR A 87 31.904 -20.661 -0.991 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.497 -21.050 -2.174 1.00 0.00 C ATOM 1434 OH TYR A 87 33.764 -20.610 -2.481 1.00 0.00 O ATOM 0 H TYR A 87 28.348 -24.430 -3.036 1.00 0.00 H new ATOM 0 HA TYR A 87 29.117 -24.219 -0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.864 -22.137 -2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.202 -21.917 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 87 30.033 -22.965 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.173 -20.799 0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.294 -22.181 -3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.431 -20.012 -0.307 1.00 0.00 H new ATOM 0 HH TYR A 87 34.094 -20.035 -1.760 1.00 0.00 H new ATOM 1444 N LYS A 88 26.607 -23.931 0.568 1.00 0.00 N ATOM 1445 CA LYS A 88 25.264 -24.237 1.045 1.00 0.00 C ATOM 1446 C LYS A 88 24.776 -23.168 2.018 1.00 0.00 C ATOM 1447 O LYS A 88 25.484 -22.798 2.956 1.00 0.00 O ATOM 1448 CB LYS A 88 25.241 -25.608 1.724 1.00 0.00 C ATOM 1449 CG LYS A 88 23.942 -25.904 2.453 1.00 0.00 C ATOM 1450 CD LYS A 88 24.147 -26.912 3.572 1.00 0.00 C ATOM 1451 CE LYS A 88 22.862 -27.662 3.889 1.00 0.00 C ATOM 1452 NZ LYS A 88 22.344 -27.326 5.244 1.00 0.00 N ATOM 0 H LYS A 88 27.177 -23.399 1.226 1.00 0.00 H new ATOM 0 HA LYS A 88 24.595 -24.254 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.410 -26.379 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 88 26.067 -25.667 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.536 -24.980 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.207 -26.288 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.923 -27.622 3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.500 -26.398 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.107 -27.421 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 88 23.042 -28.735 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.468 -27.857 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 23.054 -27.580 5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.148 -26.306 5.297 1.00 0.00 H new ATOM 1466 N PHE A 89 23.563 -22.675 1.790 1.00 0.00 N ATOM 1467 CA PHE A 89 22.981 -21.649 2.647 1.00 0.00 C ATOM 1468 C PHE A 89 22.649 -22.215 4.024 1.00 0.00 C ATOM 1469 O PHE A 89 21.992 -23.249 4.141 1.00 0.00 O ATOM 1470 CB PHE A 89 21.719 -21.072 2.002 1.00 0.00 C ATOM 1471 CG PHE A 89 21.961 -20.463 0.651 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.396 -19.152 0.536 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.753 -21.200 -0.504 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.619 -18.589 -0.707 1.00 0.00 C ATOM 1475 CE2 PHE A 89 21.975 -20.642 -1.749 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.409 -19.335 -1.850 1.00 0.00 C ATOM 0 H PHE A 89 22.964 -22.970 1.019 1.00 0.00 H new ATOM 0 HA PHE A 89 23.715 -20.853 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.975 -21.863 1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.297 -20.315 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.562 -18.564 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.413 -22.223 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 89 22.957 -17.566 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.809 -21.227 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.584 -18.897 -2.821 1.00 0.00 H new ATOM 1486 N GLY A 90 23.109 -21.529 5.066 1.00 0.00 N ATOM 1487 CA GLY A 90 22.852 -21.977 6.422 1.00 0.00 C ATOM 1488 C GLY A 90 21.407 -21.778 6.835 1.00 0.00 C ATOM 1489 O GLY A 90 20.505 -21.802 5.997 1.00 0.00 O ATOM 0 H GLY A 90 23.655 -20.671 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.109 -23.033 6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.501 -21.435 7.110 1.00 0.00 H new ATOM 1493 N LYS A 91 21.185 -21.583 8.130 1.00 0.00 N ATOM 1494 CA LYS A 91 19.840 -21.379 8.654 1.00 0.00 C ATOM 1495 C LYS A 91 19.516 -19.892 8.759 1.00 0.00 C ATOM 1496 O LYS A 91 18.351 -19.499 8.747 1.00 0.00 O ATOM 1497 CB LYS A 91 19.699 -22.040 10.027 1.00 0.00 C ATOM 1498 CG LYS A 91 20.641 -21.473 11.075 1.00 0.00 C ATOM 1499 CD LYS A 91 21.121 -22.549 12.034 1.00 0.00 C ATOM 1500 CE LYS A 91 21.438 -21.973 13.405 1.00 0.00 C ATOM 1501 NZ LYS A 91 22.645 -22.605 14.007 1.00 0.00 N ATOM 0 H LYS A 91 21.920 -21.562 8.837 1.00 0.00 H new ATOM 0 HA LYS A 91 19.135 -21.839 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.672 -21.924 10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.882 -23.110 9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.499 -21.013 10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 91 20.134 -20.686 11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.356 -23.320 12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.010 -23.031 11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.595 -20.898 13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.584 -22.118 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.828 -22.185 14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 22.486 -23.627 14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 23.466 -22.444 13.389 1.00 0.00 H new ATOM 1515 N ASN A 92 20.556 -19.070 8.860 1.00 0.00 N ATOM 1516 CA ASN A 92 20.382 -17.626 8.966 1.00 0.00 C ATOM 1517 C ASN A 92 19.710 -17.066 7.716 1.00 0.00 C ATOM 1518 O ASN A 92 18.930 -16.117 7.791 1.00 0.00 O ATOM 1519 CB ASN A 92 21.733 -16.943 9.182 1.00 0.00 C ATOM 1520 CG ASN A 92 21.997 -16.631 10.643 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.262 -15.485 11.006 1.00 0.00 O ATOM 1522 ND2 ASN A 92 21.924 -17.652 11.489 1.00 0.00 N ATOM 0 H ASN A 92 21.528 -19.379 8.871 1.00 0.00 H new ATOM 0 HA ASN A 92 19.740 -17.424 9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.527 -17.586 8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.766 -16.019 8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.091 -17.503 12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 92 21.701 -18.586 11.144 1.00 0.00 H new ATOM 1529 N ALA A 93 20.019 -17.661 6.569 1.00 0.00 N ATOM 1530 CA ALA A 93 19.443 -17.224 5.303 1.00 0.00 C ATOM 1531 C ALA A 93 17.987 -17.659 5.183 1.00 0.00 C ATOM 1532 O ALA A 93 17.551 -18.598 5.850 1.00 0.00 O ATOM 1533 CB ALA A 93 20.256 -17.768 4.137 1.00 0.00 C ATOM 0 H ALA A 93 20.665 -18.447 6.490 1.00 0.00 H new ATOM 0 HA ALA A 93 19.473 -16.135 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.814 -17.434 3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.281 -17.403 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.256 -18.857 4.170 1.00 0.00 H new ATOM 1539 N HIS A 94 17.237 -16.970 4.328 1.00 0.00 N ATOM 1540 CA HIS A 94 15.828 -17.285 4.121 1.00 0.00 C ATOM 1541 C HIS A 94 15.474 -17.243 2.637 1.00 0.00 C ATOM 1542 O HIS A 94 16.291 -16.851 1.805 1.00 0.00 O ATOM 1543 CB HIS A 94 14.945 -16.307 4.896 1.00 0.00 C ATOM 1544 CG HIS A 94 15.310 -14.870 4.680 1.00 0.00 C ATOM 1545 ND1 HIS A 94 14.891 -14.144 3.585 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.057 -14.025 5.427 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.367 -12.915 3.667 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.078 -12.816 4.776 1.00 0.00 N ATOM 0 H HIS A 94 17.582 -16.190 3.768 1.00 0.00 H new ATOM 0 HA HIS A 94 15.649 -18.295 4.491 1.00 0.00 H new ATOM 0 HB2 HIS A 94 13.906 -16.457 4.603 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.012 -16.534 5.960 1.00 0.00 H new ATOM 0 HD2 HIS A 94 16.546 -14.258 6.361 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.203 -12.125 2.949 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.563 -11.978 5.097 1.00 0.00 H new ATOM 1556 N GLY A 95 14.250 -17.650 2.313 1.00 0.00 N ATOM 1557 CA GLY A 95 13.811 -17.651 0.930 1.00 0.00 C ATOM 1558 C GLY A 95 14.029 -18.990 0.254 1.00 0.00 C ATOM 1559 O GLY A 95 13.127 -19.518 -0.397 1.00 0.00 O ATOM 0 H GLY A 95 13.555 -17.979 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.753 -17.394 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.349 -16.878 0.381 1.00 0.00 H new ATOM 1563 N TRP A 96 15.228 -19.539 0.407 1.00 0.00 N ATOM 1564 CA TRP A 96 15.562 -20.825 -0.196 1.00 0.00 C ATOM 1565 C TRP A 96 14.939 -21.973 0.589 1.00 0.00 C ATOM 1566 O TRP A 96 14.450 -22.941 0.007 1.00 0.00 O ATOM 1567 CB TRP A 96 17.080 -21.001 -0.263 1.00 0.00 C ATOM 1568 CG TRP A 96 17.695 -21.363 1.055 1.00 0.00 C ATOM 1569 CD1 TRP A 96 18.326 -20.519 1.924 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.739 -22.663 1.651 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.759 -21.217 3.025 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.411 -22.534 2.883 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.275 -23.924 1.266 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.630 -23.619 3.728 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.493 -24.999 2.106 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.165 -24.841 3.326 1.00 0.00 C ATOM 0 H TRP A 96 15.985 -19.115 0.943 1.00 0.00 H new ATOM 0 HA TRP A 96 15.156 -20.840 -1.208 1.00 0.00 H new ATOM 0 HB2 TRP A 96 17.317 -21.776 -0.991 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.530 -20.076 -0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.464 -19.459 1.768 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.259 -20.819 3.820 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.755 -24.056 0.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 19.149 -23.500 4.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.140 -25.978 1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.319 -25.701 3.961 1.00 0.00 H new ATOM 1587 N GLN A 97 14.960 -21.859 1.913 1.00 0.00 N ATOM 1588 CA GLN A 97 14.397 -22.889 2.778 1.00 0.00 C ATOM 1589 C GLN A 97 12.961 -23.209 2.379 1.00 0.00 C ATOM 1590 O GLN A 97 12.291 -22.401 1.736 1.00 0.00 O ATOM 1591 CB GLN A 97 14.445 -22.441 4.239 1.00 0.00 C ATOM 1592 CG GLN A 97 15.466 -23.197 5.075 1.00 0.00 C ATOM 1593 CD GLN A 97 15.684 -22.570 6.438 1.00 0.00 C ATOM 1594 OE1 GLN A 97 15.112 -23.011 7.435 1.00 0.00 O ATOM 1595 NE2 GLN A 97 16.515 -21.536 6.488 1.00 0.00 N ATOM 0 H GLN A 97 15.361 -21.064 2.410 1.00 0.00 H new ATOM 0 HA GLN A 97 14.997 -23.792 2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.674 -21.376 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.458 -22.570 4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.134 -24.227 5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.415 -23.231 4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.967 -21.204 5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.701 -21.074 7.378 1.00 0.00 H new