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 165:sc= 0.884 USER MOD Set 1.2: A 87 TYR OH : rot 33:sc= 1.03 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.59 K(o=-1.5,f=-4.8) USER MOD Set 2.2: A 60 MET CE :methyl -107:sc= -0.918 (180deg=-5.25!) USER MOD Single : A 21 SER OG : rot 117:sc= 1.26 USER MOD Single : A 25 ASN : amide:sc= -2.56 K(o=-2.6,f=-7!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.011) 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 -123:sc= -0.223 (180deg=-0.743) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) 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 88:sc= 1.16 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 110:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= -0.17 (180deg=-0.786) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 0.546 (180deg=0.531) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.2 K(o=-2.2,f=-2.9!) USER MOD Single : A 94 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.511 -10.501 -0.898 1.00 0.00 N ATOM 106 CA LEU A 11 25.888 -11.442 -1.947 1.00 0.00 C ATOM 107 C LEU A 11 25.040 -12.707 -1.874 1.00 0.00 C ATOM 108 O LEU A 11 24.388 -13.086 -2.847 1.00 0.00 O ATOM 109 CB LEU A 11 27.370 -11.800 -1.829 1.00 0.00 C ATOM 110 CG LEU A 11 27.779 -13.160 -2.396 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.640 -13.172 -3.910 1.00 0.00 C ATOM 112 CD2 LEU A 11 29.205 -13.501 -1.987 1.00 0.00 C ATOM 0 HA LEU A 11 25.712 -10.964 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.951 -11.028 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.648 -11.770 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 11 27.112 -13.918 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 11 27.936 -14.148 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 11 26.603 -12.974 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.281 -12.403 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.479 -14.472 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.885 -12.739 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.273 -13.536 -0.900 1.00 0.00 H new ATOM 124 N TRP A 12 25.052 -13.355 -0.714 1.00 0.00 N ATOM 125 CA TRP A 12 24.282 -14.577 -0.514 1.00 0.00 C ATOM 126 C TRP A 12 22.909 -14.469 -1.167 1.00 0.00 C ATOM 127 O TRP A 12 22.415 -15.429 -1.757 1.00 0.00 O ATOM 128 CB TRP A 12 24.128 -14.868 0.980 1.00 0.00 C ATOM 129 CG TRP A 12 23.049 -14.058 1.635 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.202 -12.878 2.305 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.653 -14.371 1.683 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.985 -12.439 2.766 1.00 0.00 N ATOM 133 CE2 TRP A 12 21.018 -13.336 2.397 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.876 -15.424 1.190 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.646 -13.326 2.631 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.514 -15.412 1.423 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.910 -14.369 2.137 1.00 0.00 C ATOM 0 H TRP A 12 25.586 -13.055 0.101 1.00 0.00 H new ATOM 0 HA TRP A 12 24.823 -15.398 -0.984 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.910 -15.927 1.116 1.00 0.00 H new ATOM 0 HB3 TRP A 12 25.076 -14.670 1.481 1.00 0.00 H new ATOM 0 HD1 TRP A 12 24.141 -12.366 2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.827 -11.583 3.298 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.332 -16.232 0.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 19.179 -12.524 3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.904 -16.221 1.048 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.843 -14.388 2.301 1.00 0.00 H new ATOM 148 N GLU A 13 22.297 -13.293 -1.058 1.00 0.00 N ATOM 149 CA GLU A 13 20.980 -13.062 -1.640 1.00 0.00 C ATOM 150 C GLU A 13 21.057 -13.020 -3.163 1.00 0.00 C ATOM 151 O GLU A 13 20.190 -13.555 -3.854 1.00 0.00 O ATOM 152 CB GLU A 13 20.388 -11.753 -1.112 1.00 0.00 C ATOM 153 CG GLU A 13 19.383 -11.947 0.010 1.00 0.00 C ATOM 154 CD GLU A 13 18.048 -11.291 -0.283 1.00 0.00 C ATOM 155 OE1 GLU A 13 18.025 -10.062 -0.501 1.00 0.00 O ATOM 156 OE2 GLU A 13 17.025 -12.008 -0.293 1.00 0.00 O ATOM 0 H GLU A 13 22.692 -12.487 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 13 20.333 -13.889 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.198 -11.116 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.904 -11.225 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.231 -13.013 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.791 -11.536 0.933 1.00 0.00 H new ATOM 163 N PHE A 14 22.101 -12.381 -3.680 1.00 0.00 N ATOM 164 CA PHE A 14 22.292 -12.269 -5.121 1.00 0.00 C ATOM 165 C PHE A 14 22.503 -13.642 -5.751 1.00 0.00 C ATOM 166 O PHE A 14 21.792 -14.028 -6.679 1.00 0.00 O ATOM 167 CB PHE A 14 23.487 -11.364 -5.430 1.00 0.00 C ATOM 168 CG PHE A 14 24.152 -11.676 -6.740 1.00 0.00 C ATOM 169 CD1 PHE A 14 23.739 -11.055 -7.907 1.00 0.00 C ATOM 170 CD2 PHE A 14 25.191 -12.591 -6.803 1.00 0.00 C ATOM 171 CE1 PHE A 14 24.349 -11.340 -9.114 1.00 0.00 C ATOM 172 CE2 PHE A 14 25.805 -12.880 -8.007 1.00 0.00 C ATOM 173 CZ PHE A 14 25.383 -12.254 -9.164 1.00 0.00 C ATOM 0 H PHE A 14 22.828 -11.933 -3.122 1.00 0.00 H new ATOM 0 HA PHE A 14 21.391 -11.828 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.154 -10.326 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.220 -11.457 -4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 14 22.931 -10.340 -7.873 1.00 0.00 H new ATOM 0 HD2 PHE A 14 25.524 -13.084 -5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 14 24.017 -10.849 -10.017 1.00 0.00 H new ATOM 0 HE2 PHE A 14 26.614 -13.595 -8.043 1.00 0.00 H new ATOM 0 HZ PHE A 14 25.861 -12.479 -10.106 1.00 0.00 H new ATOM 183 N VAL A 15 23.486 -14.377 -5.240 1.00 0.00 N ATOM 184 CA VAL A 15 23.791 -15.707 -5.751 1.00 0.00 C ATOM 185 C VAL A 15 22.614 -16.655 -5.554 1.00 0.00 C ATOM 186 O VAL A 15 22.337 -17.502 -6.404 1.00 0.00 O ATOM 187 CB VAL A 15 25.035 -16.301 -5.062 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.870 -16.277 -3.550 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.291 -17.717 -5.556 1.00 0.00 C ATOM 0 H VAL A 15 24.085 -14.073 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 15 23.992 -15.598 -6.817 1.00 0.00 H new ATOM 0 HB VAL A 15 25.899 -15.689 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.758 -16.700 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.738 -15.248 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.996 -16.865 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.173 -18.122 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.428 -18.343 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.456 -17.702 -6.633 1.00 0.00 H new ATOM 199 N ARG A 16 21.923 -16.507 -4.428 1.00 0.00 N ATOM 200 CA ARG A 16 20.775 -17.350 -4.119 1.00 0.00 C ATOM 201 C ARG A 16 19.649 -17.126 -5.125 1.00 0.00 C ATOM 202 O ARG A 16 19.000 -18.074 -5.567 1.00 0.00 O ATOM 203 CB ARG A 16 20.272 -17.065 -2.703 1.00 0.00 C ATOM 204 CG ARG A 16 18.949 -17.741 -2.379 1.00 0.00 C ATOM 205 CD ARG A 16 17.893 -16.728 -1.968 1.00 0.00 C ATOM 206 NE ARG A 16 17.567 -15.806 -3.053 1.00 0.00 N ATOM 207 CZ ARG A 16 16.656 -14.844 -2.951 1.00 0.00 C ATOM 208 NH1 ARG A 16 15.985 -14.679 -1.820 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.416 -14.044 -3.983 1.00 0.00 N ATOM 0 H ARG A 16 22.139 -15.811 -3.715 1.00 0.00 H new ATOM 0 HA ARG A 16 21.093 -18.391 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.024 -17.395 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.161 -15.988 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.601 -18.298 -3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.095 -18.463 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.990 -17.252 -1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.249 -16.163 -1.107 1.00 0.00 H new ATOM 0 HE ARG A 16 18.066 -15.906 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.167 -15.291 -1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.286 -13.940 -1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.931 -14.168 -4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.717 -13.306 -3.904 1.00 0.00 H new ATOM 223 N ASP A 17 19.423 -15.866 -5.481 1.00 0.00 N ATOM 224 CA ASP A 17 18.376 -15.517 -6.434 1.00 0.00 C ATOM 225 C ASP A 17 18.549 -16.290 -7.738 1.00 0.00 C ATOM 226 O ASP A 17 17.610 -16.917 -8.230 1.00 0.00 O ATOM 227 CB ASP A 17 18.392 -14.013 -6.713 1.00 0.00 C ATOM 228 CG ASP A 17 17.096 -13.525 -7.329 1.00 0.00 C ATOM 229 OD1 ASP A 17 16.698 -14.068 -8.381 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.479 -12.600 -6.761 1.00 0.00 O ATOM 0 H ASP A 17 19.951 -15.070 -5.124 1.00 0.00 H new ATOM 0 HA ASP A 17 17.415 -15.788 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.573 -13.476 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.220 -13.779 -7.383 1.00 0.00 H new ATOM 235 N LEU A 18 19.755 -16.240 -8.294 1.00 0.00 N ATOM 236 CA LEU A 18 20.051 -16.935 -9.542 1.00 0.00 C ATOM 237 C LEU A 18 19.500 -18.357 -9.517 1.00 0.00 C ATOM 238 O LEU A 18 18.900 -18.819 -10.489 1.00 0.00 O ATOM 239 CB LEU A 18 21.561 -16.966 -9.785 1.00 0.00 C ATOM 240 CG LEU A 18 22.121 -15.848 -10.666 1.00 0.00 C ATOM 241 CD1 LEU A 18 22.023 -14.508 -9.954 1.00 0.00 C ATOM 242 CD2 LEU A 18 23.563 -16.145 -11.052 1.00 0.00 C ATOM 0 H LEU A 18 20.543 -15.726 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 18 19.569 -16.392 -10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.065 -16.928 -8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.816 -17.923 -10.240 1.00 0.00 H new ATOM 0 HG LEU A 18 21.525 -15.796 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.426 -13.725 -10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.979 -14.291 -9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.594 -14.546 -9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 18 23.945 -15.339 -11.679 1.00 0.00 H new ATOM 0 HD22 LEU A 18 24.172 -16.224 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 18 23.606 -17.085 -11.603 1.00 0.00 H new ATOM 254 N LEU A 19 19.705 -19.047 -8.401 1.00 0.00 N ATOM 255 CA LEU A 19 19.227 -20.416 -8.248 1.00 0.00 C ATOM 256 C LEU A 19 17.714 -20.488 -8.427 1.00 0.00 C ATOM 257 O LEU A 19 17.192 -21.434 -9.019 1.00 0.00 O ATOM 258 CB LEU A 19 19.615 -20.963 -6.873 1.00 0.00 C ATOM 259 CG LEU A 19 21.084 -21.348 -6.694 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.456 -21.364 -5.220 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.361 -22.703 -7.331 1.00 0.00 C ATOM 0 H LEU A 19 20.200 -18.680 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 19 19.696 -21.026 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.362 -20.215 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.002 -21.841 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 19 21.700 -20.600 -7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.505 -21.640 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.296 -20.374 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.834 -22.090 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.411 -22.961 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.736 -23.461 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.134 -22.657 -8.396 1.00 0.00 H new ATOM 273 N LEU A 20 17.014 -19.481 -7.915 1.00 0.00 N ATOM 274 CA LEU A 20 15.560 -19.428 -8.021 1.00 0.00 C ATOM 275 C LEU A 20 15.132 -18.633 -9.250 1.00 0.00 C ATOM 276 O LEU A 20 13.957 -18.623 -9.617 1.00 0.00 O ATOM 277 CB LEU A 20 14.961 -18.802 -6.760 1.00 0.00 C ATOM 278 CG LEU A 20 15.704 -19.080 -5.453 1.00 0.00 C ATOM 279 CD1 LEU A 20 15.026 -18.371 -4.292 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.785 -20.577 -5.194 1.00 0.00 C ATOM 0 H LEU A 20 17.430 -18.690 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 20 15.190 -20.448 -8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.911 -17.723 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.936 -19.157 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 20 16.719 -18.692 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.569 -18.581 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.022 -17.296 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.000 -18.727 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.317 -20.756 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.778 -20.989 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.318 -21.060 -6.013 1.00 0.00 H new ATOM 292 N SER A 21 16.094 -17.969 -9.883 1.00 0.00 N ATOM 293 CA SER A 21 15.816 -17.169 -11.071 1.00 0.00 C ATOM 294 C SER A 21 16.498 -17.766 -12.299 1.00 0.00 C ATOM 295 O SER A 21 17.569 -17.328 -12.720 1.00 0.00 O ATOM 296 CB SER A 21 16.286 -15.728 -10.863 1.00 0.00 C ATOM 297 OG SER A 21 15.261 -14.937 -10.286 1.00 0.00 O ATOM 0 H SER A 21 17.072 -17.969 -9.594 1.00 0.00 H new ATOM 0 HA SER A 21 14.739 -17.172 -11.237 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.165 -15.718 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.587 -15.299 -11.818 1.00 0.00 H new ATOM 0 HG SER A 21 15.547 -14.625 -9.402 1.00 0.00 H new ATOM 303 N PRO A 22 15.863 -18.790 -12.887 1.00 0.00 N ATOM 304 CA PRO A 22 16.389 -19.470 -14.075 1.00 0.00 C ATOM 305 C PRO A 22 16.330 -18.590 -15.320 1.00 0.00 C ATOM 306 O PRO A 22 16.822 -18.969 -16.382 1.00 0.00 O ATOM 307 CB PRO A 22 15.464 -20.679 -14.231 1.00 0.00 C ATOM 308 CG PRO A 22 14.191 -20.269 -13.574 1.00 0.00 C ATOM 309 CD PRO A 22 14.583 -19.364 -12.439 1.00 0.00 C ATOM 0 HA PRO A 22 17.441 -19.733 -13.962 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.306 -20.924 -15.281 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.887 -21.565 -13.757 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.538 -19.752 -14.277 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.643 -21.138 -13.209 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.835 -18.591 -12.265 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.695 -19.915 -11.505 1.00 0.00 H new ATOM 317 N GLU A 23 15.725 -17.415 -15.180 1.00 0.00 N ATOM 318 CA GLU A 23 15.603 -16.482 -16.294 1.00 0.00 C ATOM 319 C GLU A 23 16.833 -15.585 -16.391 1.00 0.00 C ATOM 320 O GLU A 23 17.152 -15.065 -17.460 1.00 0.00 O ATOM 321 CB GLU A 23 14.345 -15.625 -16.135 1.00 0.00 C ATOM 322 CG GLU A 23 13.237 -15.984 -17.111 1.00 0.00 C ATOM 323 CD GLU A 23 11.930 -15.284 -16.793 1.00 0.00 C ATOM 324 OE1 GLU A 23 11.782 -14.103 -17.172 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.056 -15.916 -16.164 1.00 0.00 O ATOM 0 H GLU A 23 15.312 -17.087 -14.307 1.00 0.00 H new ATOM 0 HA GLU A 23 15.525 -17.063 -17.213 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.970 -15.731 -15.117 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.610 -14.576 -16.269 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.549 -15.721 -18.122 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.080 -17.063 -17.096 1.00 0.00 H new ATOM 332 N GLU A 24 17.520 -15.409 -15.267 1.00 0.00 N ATOM 333 CA GLU A 24 18.715 -14.574 -15.225 1.00 0.00 C ATOM 334 C GLU A 24 19.975 -15.430 -15.143 1.00 0.00 C ATOM 335 O GLU A 24 20.946 -15.194 -15.860 1.00 0.00 O ATOM 336 CB GLU A 24 18.655 -13.620 -14.030 1.00 0.00 C ATOM 337 CG GLU A 24 18.145 -12.233 -14.384 1.00 0.00 C ATOM 338 CD GLU A 24 19.203 -11.160 -14.212 1.00 0.00 C ATOM 339 OE1 GLU A 24 20.018 -10.978 -15.141 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.217 -10.504 -13.150 1.00 0.00 O ATOM 0 H GLU A 24 17.270 -15.833 -14.374 1.00 0.00 H new ATOM 0 HA GLU A 24 18.752 -13.991 -16.145 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.010 -14.051 -13.264 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.651 -13.532 -13.596 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.796 -12.231 -15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.286 -11.995 -13.757 1.00 0.00 H new ATOM 347 N ASN A 25 19.950 -16.427 -14.264 1.00 0.00 N ATOM 348 CA ASN A 25 21.091 -17.318 -14.087 1.00 0.00 C ATOM 349 C ASN A 25 21.387 -18.084 -15.373 1.00 0.00 C ATOM 350 O ASN A 25 20.537 -18.815 -15.883 1.00 0.00 O ATOM 351 CB ASN A 25 20.823 -18.302 -12.945 1.00 0.00 C ATOM 352 CG ASN A 25 22.010 -19.205 -12.671 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.160 -18.817 -12.875 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.735 -20.418 -12.205 1.00 0.00 N ATOM 0 H ASN A 25 19.153 -16.638 -13.664 1.00 0.00 H new ATOM 0 HA ASN A 25 21.961 -16.710 -13.838 1.00 0.00 H new ATOM 0 HB2 ASN A 25 20.576 -17.746 -12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.954 -18.913 -13.191 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.493 -21.070 -12.001 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.766 -20.698 -12.051 1.00 0.00 H new ATOM 361 N CYS A 26 22.598 -17.910 -15.892 1.00 0.00 N ATOM 362 CA CYS A 26 23.008 -18.584 -17.119 1.00 0.00 C ATOM 363 C CYS A 26 24.145 -19.564 -16.848 1.00 0.00 C ATOM 364 O CYS A 26 25.319 -19.216 -16.966 1.00 0.00 O ATOM 365 CB CYS A 26 23.441 -17.559 -18.168 1.00 0.00 C ATOM 366 SG CYS A 26 22.437 -17.573 -19.672 1.00 0.00 S ATOM 0 H CYS A 26 23.312 -17.308 -15.482 1.00 0.00 H new ATOM 0 HA CYS A 26 22.154 -19.144 -17.499 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.400 -16.563 -17.726 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.481 -17.747 -18.436 1.00 0.00 H new ATOM 0 HG CYS A 26 22.879 -16.671 -20.497 1.00 0.00 H new ATOM 372 N GLY A 27 23.787 -20.791 -16.481 1.00 0.00 N ATOM 373 CA GLY A 27 24.789 -21.802 -16.197 1.00 0.00 C ATOM 374 C GLY A 27 25.873 -21.297 -15.266 1.00 0.00 C ATOM 375 O GLY A 27 27.042 -21.655 -15.412 1.00 0.00 O ATOM 0 H GLY A 27 22.822 -21.103 -16.375 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.307 -22.672 -15.751 1.00 0.00 H new ATOM 0 HA3 GLY A 27 25.242 -22.133 -17.132 1.00 0.00 H new ATOM 379 N ILE A 28 25.486 -20.463 -14.307 1.00 0.00 N ATOM 380 CA ILE A 28 26.435 -19.908 -13.349 1.00 0.00 C ATOM 381 C ILE A 28 26.410 -20.686 -12.037 1.00 0.00 C ATOM 382 O ILE A 28 27.403 -20.729 -11.309 1.00 0.00 O ATOM 383 CB ILE A 28 26.139 -18.425 -13.058 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.857 -17.674 -14.361 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.304 -17.788 -12.315 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.339 -16.269 -14.149 1.00 0.00 C ATOM 0 H ILE A 28 24.522 -20.157 -14.172 1.00 0.00 H new ATOM 0 HA ILE A 28 27.424 -19.991 -13.800 1.00 0.00 H new ATOM 0 HB ILE A 28 25.253 -18.364 -12.426 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.773 -17.630 -14.951 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.129 -18.237 -14.945 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.080 -16.740 -12.117 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.463 -18.310 -11.371 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.205 -17.857 -12.924 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.161 -15.797 -15.115 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.406 -16.306 -13.586 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.076 -15.690 -13.592 1.00 0.00 H new ATOM 398 N LEU A 29 25.271 -21.302 -11.743 1.00 0.00 N ATOM 399 CA LEU A 29 25.117 -22.081 -10.519 1.00 0.00 C ATOM 400 C LEU A 29 24.280 -23.332 -10.772 1.00 0.00 C ATOM 401 O LEU A 29 23.656 -23.470 -11.823 1.00 0.00 O ATOM 402 CB LEU A 29 24.466 -21.230 -9.427 1.00 0.00 C ATOM 403 CG LEU A 29 25.013 -19.811 -9.267 1.00 0.00 C ATOM 404 CD1 LEU A 29 23.990 -18.919 -8.581 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.318 -19.828 -8.485 1.00 0.00 C ATOM 0 H LEU A 29 24.441 -21.278 -12.335 1.00 0.00 H new ATOM 0 HA LEU A 29 26.108 -22.390 -10.187 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.398 -21.165 -9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.576 -21.750 -8.475 1.00 0.00 H new ATOM 0 HG LEU A 29 25.212 -19.405 -10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.397 -17.913 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.080 -18.882 -9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.759 -19.322 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.693 -18.810 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.144 -20.254 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.053 -20.433 -9.017 1.00 0.00 H new ATOM 417 N GLU A 30 24.271 -24.238 -9.799 1.00 0.00 N ATOM 418 CA GLU A 30 23.509 -25.476 -9.916 1.00 0.00 C ATOM 419 C GLU A 30 22.978 -25.919 -8.556 1.00 0.00 C ATOM 420 O GLU A 30 23.550 -25.588 -7.517 1.00 0.00 O ATOM 421 CB GLU A 30 24.379 -26.580 -10.521 1.00 0.00 C ATOM 422 CG GLU A 30 25.456 -27.091 -9.579 1.00 0.00 C ATOM 423 CD GLU A 30 25.627 -28.596 -9.650 1.00 0.00 C ATOM 424 OE1 GLU A 30 24.657 -29.287 -10.025 1.00 0.00 O ATOM 425 OE2 GLU A 30 26.732 -29.083 -9.330 1.00 0.00 O ATOM 0 H GLU A 30 24.782 -24.138 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 30 22.660 -25.290 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 30 23.741 -27.413 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.851 -26.203 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 30 26.403 -26.610 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.205 -26.805 -8.557 1.00 0.00 H new ATOM 432 N TRP A 31 21.881 -26.667 -8.571 1.00 0.00 N ATOM 433 CA TRP A 31 21.272 -27.155 -7.339 1.00 0.00 C ATOM 434 C TRP A 31 21.744 -28.570 -7.022 1.00 0.00 C ATOM 435 O TRP A 31 21.455 -29.510 -7.760 1.00 0.00 O ATOM 436 CB TRP A 31 19.747 -27.127 -7.455 1.00 0.00 C ATOM 437 CG TRP A 31 19.139 -25.842 -6.980 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.290 -25.030 -7.677 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.335 -25.220 -5.705 1.00 0.00 C ATOM 440 NE1 TRP A 31 17.947 -23.942 -6.912 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.574 -24.035 -5.698 1.00 0.00 C ATOM 442 CE3 TRP A 31 20.078 -25.550 -4.569 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.537 -23.181 -4.599 1.00 0.00 C ATOM 444 CZ3 TRP A 31 20.041 -24.702 -3.479 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.274 -23.529 -3.500 1.00 0.00 C ATOM 0 H TRP A 31 21.395 -26.949 -9.422 1.00 0.00 H new ATOM 0 HA TRP A 31 21.580 -26.499 -6.525 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.466 -27.291 -8.495 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.331 -27.953 -6.878 1.00 0.00 H new ATOM 0 HD1 TRP A 31 17.940 -25.216 -8.682 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.326 -23.187 -7.201 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.671 -26.452 -4.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.948 -22.276 -4.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.613 -24.947 -2.596 1.00 0.00 H new ATOM 0 HH2 TRP A 31 19.265 -22.887 -2.631 1.00 0.00 H new ATOM 456 N GLU A 32 22.472 -28.712 -5.918 1.00 0.00 N ATOM 457 CA GLU A 32 22.984 -30.014 -5.505 1.00 0.00 C ATOM 458 C GLU A 32 22.042 -30.676 -4.503 1.00 0.00 C ATOM 459 O GLU A 32 22.116 -31.882 -4.270 1.00 0.00 O ATOM 460 CB GLU A 32 24.378 -29.866 -4.891 1.00 0.00 C ATOM 461 CG GLU A 32 25.507 -30.097 -5.882 1.00 0.00 C ATOM 462 CD GLU A 32 25.441 -31.464 -6.533 1.00 0.00 C ATOM 463 OE1 GLU A 32 25.352 -32.469 -5.798 1.00 0.00 O ATOM 464 OE2 GLU A 32 25.477 -31.529 -7.780 1.00 0.00 O ATOM 0 H GLU A 32 22.720 -27.943 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 32 23.049 -30.648 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.475 -28.866 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.479 -30.572 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.470 -29.329 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.463 -29.988 -5.370 1.00 0.00 H new ATOM 471 N ASP A 33 21.159 -29.877 -3.914 1.00 0.00 N ATOM 472 CA ASP A 33 20.203 -30.384 -2.937 1.00 0.00 C ATOM 473 C ASP A 33 19.195 -29.305 -2.552 1.00 0.00 C ATOM 474 O ASP A 33 19.521 -28.371 -1.819 1.00 0.00 O ATOM 475 CB ASP A 33 20.932 -30.886 -1.690 1.00 0.00 C ATOM 476 CG ASP A 33 20.385 -32.210 -1.193 1.00 0.00 C ATOM 477 OD1 ASP A 33 19.166 -32.441 -1.339 1.00 0.00 O ATOM 478 OD2 ASP A 33 21.176 -33.016 -0.659 1.00 0.00 O ATOM 0 H ASP A 33 21.086 -28.876 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 33 19.663 -31.215 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.993 -30.995 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.847 -30.141 -0.899 1.00 0.00 H new ATOM 483 N ARG A 34 17.971 -29.440 -3.052 1.00 0.00 N ATOM 484 CA ARG A 34 16.917 -28.475 -2.763 1.00 0.00 C ATOM 485 C ARG A 34 16.468 -28.581 -1.309 1.00 0.00 C ATOM 486 O ARG A 34 16.111 -27.582 -0.686 1.00 0.00 O ATOM 487 CB ARG A 34 15.724 -28.698 -3.694 1.00 0.00 C ATOM 488 CG ARG A 34 16.096 -28.716 -5.168 1.00 0.00 C ATOM 489 CD ARG A 34 16.476 -27.330 -5.663 1.00 0.00 C ATOM 490 NE ARG A 34 15.921 -27.049 -6.985 1.00 0.00 N ATOM 491 CZ ARG A 34 14.618 -27.032 -7.246 1.00 0.00 C ATOM 492 NH1 ARG A 34 13.742 -27.277 -6.281 1.00 0.00 N ATOM 493 NH2 ARG A 34 14.190 -26.769 -8.473 1.00 0.00 N ATOM 0 H ARG A 34 17.685 -30.208 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 34 17.318 -27.475 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.245 -29.643 -3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.989 -27.912 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.929 -29.401 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.257 -29.095 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.121 -26.582 -4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.562 -27.243 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 34 16.569 -26.855 -7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.068 -27.479 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.742 -27.263 -6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.861 -26.580 -9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.190 -26.756 -8.672 1.00 0.00 H new ATOM 507 N GLU A 35 16.489 -29.799 -0.775 1.00 0.00 N ATOM 508 CA GLU A 35 16.082 -30.034 0.605 1.00 0.00 C ATOM 509 C GLU A 35 17.004 -29.302 1.576 1.00 0.00 C ATOM 510 O GLU A 35 16.552 -28.491 2.384 1.00 0.00 O ATOM 511 CB GLU A 35 16.086 -31.533 0.913 1.00 0.00 C ATOM 512 CG GLU A 35 14.853 -32.262 0.405 1.00 0.00 C ATOM 513 CD GLU A 35 14.995 -33.770 0.480 1.00 0.00 C ATOM 514 OE1 GLU A 35 15.681 -34.344 -0.391 1.00 0.00 O ATOM 515 OE2 GLU A 35 14.419 -34.375 1.408 1.00 0.00 O ATOM 0 H GLU A 35 16.783 -30.637 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 35 15.071 -29.647 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.973 -31.984 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.163 -31.674 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.986 -31.953 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.662 -31.970 -0.628 1.00 0.00 H new ATOM 522 N GLN A 36 18.297 -29.595 1.490 1.00 0.00 N ATOM 523 CA GLN A 36 19.282 -28.966 2.362 1.00 0.00 C ATOM 524 C GLN A 36 19.611 -27.556 1.883 1.00 0.00 C ATOM 525 O GLN A 36 19.924 -26.675 2.683 1.00 0.00 O ATOM 526 CB GLN A 36 20.557 -29.809 2.418 1.00 0.00 C ATOM 527 CG GLN A 36 20.307 -31.301 2.265 1.00 0.00 C ATOM 528 CD GLN A 36 21.297 -32.142 3.046 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.144 -32.824 2.468 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.196 -32.098 4.370 1.00 0.00 N ATOM 0 H GLN A 36 18.687 -30.264 0.826 1.00 0.00 H new ATOM 0 HA GLN A 36 18.855 -28.900 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.235 -29.480 1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.060 -29.629 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.296 -31.532 2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.362 -31.568 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.479 -31.519 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.835 -32.643 4.949 1.00 0.00 H new ATOM 539 N GLY A 37 19.538 -27.349 0.572 1.00 0.00 N ATOM 540 CA GLY A 37 19.832 -26.044 0.009 1.00 0.00 C ATOM 541 C GLY A 37 21.268 -25.925 -0.459 1.00 0.00 C ATOM 542 O GLY A 37 21.819 -24.825 -0.520 1.00 0.00 O ATOM 0 H GLY A 37 19.280 -28.062 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.163 -25.855 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.632 -25.276 0.756 1.00 0.00 H new ATOM 546 N ILE A 38 21.878 -27.058 -0.790 1.00 0.00 N ATOM 547 CA ILE A 38 23.259 -27.075 -1.255 1.00 0.00 C ATOM 548 C ILE A 38 23.347 -26.700 -2.730 1.00 0.00 C ATOM 549 O ILE A 38 22.574 -27.189 -3.554 1.00 0.00 O ATOM 550 CB ILE A 38 23.905 -28.458 -1.049 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.924 -28.820 0.438 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.315 -28.474 -1.621 1.00 0.00 C ATOM 553 CD1 ILE A 38 23.784 -30.304 0.700 1.00 0.00 C ATOM 0 H ILE A 38 21.437 -27.977 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 38 23.801 -26.338 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 38 23.310 -29.203 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.857 -28.468 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 38 23.115 -28.292 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.759 -29.458 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.277 -28.255 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.921 -27.721 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 38 23.806 -30.487 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 38 22.838 -30.658 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.607 -30.837 0.224 1.00 0.00 H new ATOM 565 N PHE A 39 24.296 -25.829 -3.057 1.00 0.00 N ATOM 566 CA PHE A 39 24.487 -25.388 -4.434 1.00 0.00 C ATOM 567 C PHE A 39 25.969 -25.358 -4.795 1.00 0.00 C ATOM 568 O PHE A 39 26.830 -25.241 -3.922 1.00 0.00 O ATOM 569 CB PHE A 39 23.873 -24.001 -4.637 1.00 0.00 C ATOM 570 CG PHE A 39 24.532 -22.928 -3.819 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.236 -22.784 -2.473 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.448 -22.062 -4.395 1.00 0.00 C ATOM 573 CE1 PHE A 39 24.841 -21.798 -1.717 1.00 0.00 C ATOM 574 CE2 PHE A 39 26.057 -21.075 -3.644 1.00 0.00 C ATOM 575 CZ PHE A 39 25.751 -20.941 -2.304 1.00 0.00 C ATOM 0 H PHE A 39 24.945 -25.415 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 39 23.986 -26.100 -5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.939 -23.734 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.814 -24.041 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.524 -23.450 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.689 -22.160 -5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.602 -21.698 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.772 -20.409 -4.104 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.223 -20.167 -1.716 1.00 0.00 H new ATOM 585 N ARG A 40 26.260 -25.465 -6.088 1.00 0.00 N ATOM 586 CA ARG A 40 27.637 -25.453 -6.565 1.00 0.00 C ATOM 587 C ARG A 40 27.859 -24.312 -7.554 1.00 0.00 C ATOM 588 O ARG A 40 26.967 -23.965 -8.329 1.00 0.00 O ATOM 589 CB ARG A 40 27.983 -26.789 -7.225 1.00 0.00 C ATOM 590 CG ARG A 40 29.321 -26.784 -7.946 1.00 0.00 C ATOM 591 CD ARG A 40 29.339 -27.782 -9.093 1.00 0.00 C ATOM 592 NE ARG A 40 30.536 -27.645 -9.918 1.00 0.00 N ATOM 593 CZ ARG A 40 30.665 -28.192 -11.122 1.00 0.00 C ATOM 594 NH1 ARG A 40 29.675 -28.908 -11.638 1.00 0.00 N ATOM 595 NH2 ARG A 40 31.785 -28.022 -11.813 1.00 0.00 N ATOM 0 H ARG A 40 25.560 -25.561 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 40 28.291 -25.300 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.993 -27.569 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.198 -27.048 -7.936 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.526 -25.784 -8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.117 -27.024 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.288 -28.795 -8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.453 -27.639 -9.712 1.00 0.00 H new ATOM 0 HE ARG A 40 31.316 -27.100 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.812 -29.040 -11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 40 29.777 -29.327 -12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 40 32.548 -27.471 -11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.883 -28.442 -12.737 1.00 0.00 H new ATOM 609 N VAL A 41 29.055 -23.732 -7.522 1.00 0.00 N ATOM 610 CA VAL A 41 29.395 -22.631 -8.415 1.00 0.00 C ATOM 611 C VAL A 41 30.052 -23.142 -9.692 1.00 0.00 C ATOM 612 O VAL A 41 31.274 -23.280 -9.762 1.00 0.00 O ATOM 613 CB VAL A 41 30.340 -21.625 -7.731 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.638 -20.457 -8.659 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.740 -21.136 -6.421 1.00 0.00 C ATOM 0 H VAL A 41 29.805 -24.007 -6.887 1.00 0.00 H new ATOM 0 HA VAL A 41 28.462 -22.128 -8.667 1.00 0.00 H new ATOM 0 HB VAL A 41 31.280 -22.130 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.307 -19.757 -8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.113 -20.826 -9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.708 -19.950 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.421 -20.426 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.786 -20.647 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.583 -21.984 -5.754 1.00 0.00 H new ATOM 625 N VAL A 42 29.234 -23.422 -10.701 1.00 0.00 N ATOM 626 CA VAL A 42 29.736 -23.917 -11.978 1.00 0.00 C ATOM 627 C VAL A 42 30.704 -22.923 -12.610 1.00 0.00 C ATOM 628 O VAL A 42 31.798 -23.291 -13.038 1.00 0.00 O ATOM 629 CB VAL A 42 28.585 -24.194 -12.963 1.00 0.00 C ATOM 630 CG1 VAL A 42 29.129 -24.715 -14.286 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.594 -25.178 -12.361 1.00 0.00 C ATOM 0 H VAL A 42 28.221 -23.315 -10.659 1.00 0.00 H new ATOM 0 HA VAL A 42 30.261 -24.850 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 42 28.061 -23.258 -13.155 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.302 -24.905 -14.970 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.797 -23.972 -14.722 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.678 -25.641 -14.114 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.787 -25.362 -13.071 1.00 0.00 H new ATOM 0 HG22 VAL A 42 28.102 -26.116 -12.138 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.181 -24.762 -11.442 1.00 0.00 H new ATOM 641 N LYS A 43 30.294 -21.660 -12.667 1.00 0.00 N ATOM 642 CA LYS A 43 31.124 -20.611 -13.245 1.00 0.00 C ATOM 643 C LYS A 43 31.610 -19.646 -12.168 1.00 0.00 C ATOM 644 O LYS A 43 30.949 -18.651 -11.869 1.00 0.00 O ATOM 645 CB LYS A 43 30.343 -19.846 -14.316 1.00 0.00 C ATOM 646 CG LYS A 43 29.960 -20.698 -15.514 1.00 0.00 C ATOM 647 CD LYS A 43 29.065 -19.936 -16.476 1.00 0.00 C ATOM 648 CE LYS A 43 28.748 -20.760 -17.715 1.00 0.00 C ATOM 649 NZ LYS A 43 29.769 -20.571 -18.783 1.00 0.00 N ATOM 0 H LYS A 43 29.391 -21.339 -12.319 1.00 0.00 H new ATOM 0 HA LYS A 43 31.993 -21.082 -13.705 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.438 -19.434 -13.869 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.942 -19.002 -14.658 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.861 -21.023 -16.034 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.447 -21.597 -15.173 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.138 -19.663 -15.973 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.553 -19.007 -16.771 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.695 -21.815 -17.446 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.767 -20.479 -18.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.517 -21.149 -19.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.802 -19.569 -19.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.702 -20.863 -18.427 1.00 0.00 H new ATOM 663 N SER A 44 32.769 -19.945 -11.591 1.00 0.00 N ATOM 664 CA SER A 44 33.342 -19.104 -10.546 1.00 0.00 C ATOM 665 C SER A 44 33.699 -17.725 -11.092 1.00 0.00 C ATOM 666 O SER A 44 33.611 -16.724 -10.383 1.00 0.00 O ATOM 667 CB SER A 44 34.586 -19.768 -9.953 1.00 0.00 C ATOM 668 OG SER A 44 35.624 -19.856 -10.914 1.00 0.00 O ATOM 0 H SER A 44 33.330 -20.763 -11.829 1.00 0.00 H new ATOM 0 HA SER A 44 32.595 -18.982 -9.762 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.931 -19.197 -9.091 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.333 -20.766 -9.594 1.00 0.00 H new ATOM 0 HG SER A 44 36.408 -20.282 -10.510 1.00 0.00 H new ATOM 674 N GLU A 45 34.101 -17.683 -12.359 1.00 0.00 N ATOM 675 CA GLU A 45 34.472 -16.428 -13.000 1.00 0.00 C ATOM 676 C GLU A 45 33.232 -15.621 -13.375 1.00 0.00 C ATOM 677 O GLU A 45 33.218 -14.396 -13.261 1.00 0.00 O ATOM 678 CB GLU A 45 35.315 -16.697 -14.249 1.00 0.00 C ATOM 679 CG GLU A 45 34.549 -17.392 -15.362 1.00 0.00 C ATOM 680 CD GLU A 45 35.429 -18.303 -16.195 1.00 0.00 C ATOM 681 OE1 GLU A 45 36.298 -17.781 -16.926 1.00 0.00 O ATOM 682 OE2 GLU A 45 35.250 -19.536 -16.118 1.00 0.00 O ATOM 0 H GLU A 45 34.178 -18.503 -12.960 1.00 0.00 H new ATOM 0 HA GLU A 45 35.061 -15.848 -12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.706 -15.751 -14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 45 36.173 -17.309 -13.973 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.736 -17.975 -14.929 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.094 -16.642 -16.009 1.00 0.00 H new ATOM 689 N ALA A 46 32.193 -16.318 -13.823 1.00 0.00 N ATOM 690 CA ALA A 46 30.948 -15.667 -14.212 1.00 0.00 C ATOM 691 C ALA A 46 30.174 -15.186 -12.990 1.00 0.00 C ATOM 692 O ALA A 46 29.551 -14.124 -13.015 1.00 0.00 O ATOM 693 CB ALA A 46 30.094 -16.616 -15.040 1.00 0.00 C ATOM 0 H ALA A 46 32.189 -17.333 -13.926 1.00 0.00 H new ATOM 0 HA ALA A 46 31.196 -14.795 -14.818 1.00 0.00 H new ATOM 0 HB1 ALA A 46 29.167 -16.118 -15.324 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.639 -16.907 -15.938 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.863 -17.504 -14.452 1.00 0.00 H new ATOM 699 N LEU A 47 30.217 -15.973 -11.921 1.00 0.00 N ATOM 700 CA LEU A 47 29.518 -15.627 -10.687 1.00 0.00 C ATOM 701 C LEU A 47 29.966 -14.263 -10.173 1.00 0.00 C ATOM 702 O LEU A 47 29.141 -13.400 -9.873 1.00 0.00 O ATOM 703 CB LEU A 47 29.768 -16.694 -9.620 1.00 0.00 C ATOM 704 CG LEU A 47 29.369 -16.321 -8.192 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.884 -16.004 -8.118 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.725 -17.444 -7.228 1.00 0.00 C ATOM 0 H LEU A 47 30.728 -16.855 -11.883 1.00 0.00 H new ATOM 0 HA LEU A 47 28.451 -15.581 -10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.226 -17.597 -9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.829 -16.944 -9.626 1.00 0.00 H new ATOM 0 HG LEU A 47 29.925 -15.429 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.619 -15.741 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.657 -15.167 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.310 -16.877 -8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.434 -17.161 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.197 -18.353 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.800 -17.624 -7.259 1.00 0.00 H new ATOM 718 N ALA A 48 31.278 -14.074 -10.074 1.00 0.00 N ATOM 719 CA ALA A 48 31.835 -12.814 -9.600 1.00 0.00 C ATOM 720 C ALA A 48 31.545 -11.682 -10.580 1.00 0.00 C ATOM 721 O ALA A 48 31.024 -10.634 -10.198 1.00 0.00 O ATOM 722 CB ALA A 48 33.334 -12.950 -9.378 1.00 0.00 C ATOM 0 H ALA A 48 31.975 -14.778 -10.316 1.00 0.00 H new ATOM 0 HA ALA A 48 31.358 -12.569 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.737 -12.001 -9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.523 -13.724 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.818 -13.222 -10.316 1.00 0.00 H new ATOM 728 N LYS A 49 31.886 -11.900 -11.846 1.00 0.00 N ATOM 729 CA LYS A 49 31.662 -10.899 -12.882 1.00 0.00 C ATOM 730 C LYS A 49 30.263 -10.302 -12.769 1.00 0.00 C ATOM 731 O LYS A 49 30.094 -9.083 -12.796 1.00 0.00 O ATOM 732 CB LYS A 49 31.853 -11.518 -14.268 1.00 0.00 C ATOM 733 CG LYS A 49 33.035 -10.947 -15.033 1.00 0.00 C ATOM 734 CD LYS A 49 32.977 -11.314 -16.506 1.00 0.00 C ATOM 735 CE LYS A 49 34.106 -10.661 -17.288 1.00 0.00 C ATOM 736 NZ LYS A 49 33.615 -10.016 -18.537 1.00 0.00 N ATOM 0 H LYS A 49 32.319 -12.762 -12.179 1.00 0.00 H new ATOM 0 HA LYS A 49 32.391 -10.100 -12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.987 -12.594 -14.160 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.945 -11.366 -14.852 1.00 0.00 H new ATOM 0 HG2 LYS A 49 33.048 -9.862 -14.928 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.964 -11.320 -14.601 1.00 0.00 H new ATOM 0 HD2 LYS A 49 33.037 -12.397 -16.615 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.018 -11.004 -16.922 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.597 -9.915 -16.663 1.00 0.00 H new ATOM 0 HE3 LYS A 49 34.856 -11.411 -17.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 34.415 -9.582 -19.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 33.169 -10.732 -19.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 32.918 -9.282 -18.298 1.00 0.00 H new ATOM 750 N MET A 50 29.263 -11.168 -12.641 1.00 0.00 N ATOM 751 CA MET A 50 27.879 -10.726 -12.520 1.00 0.00 C ATOM 752 C MET A 50 27.656 -9.991 -11.203 1.00 0.00 C ATOM 753 O MET A 50 27.016 -8.940 -11.168 1.00 0.00 O ATOM 754 CB MET A 50 26.929 -11.921 -12.619 1.00 0.00 C ATOM 755 CG MET A 50 26.396 -12.160 -14.022 1.00 0.00 C ATOM 756 SD MET A 50 24.700 -11.584 -14.229 1.00 0.00 S ATOM 757 CE MET A 50 23.829 -12.691 -13.123 1.00 0.00 C ATOM 0 H MET A 50 29.386 -12.180 -12.618 1.00 0.00 H new ATOM 0 HA MET A 50 27.671 -10.037 -13.339 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.449 -12.817 -12.279 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.089 -11.764 -11.942 1.00 0.00 H new ATOM 0 HG2 MET A 50 27.038 -11.652 -14.742 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.444 -13.225 -14.248 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.058 -13.226 -13.677 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.532 -13.407 -12.697 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.367 -12.115 -12.321 1.00 0.00 H new ATOM 767 N TRP A 51 28.187 -10.550 -10.122 1.00 0.00 N ATOM 768 CA TRP A 51 28.045 -9.947 -8.801 1.00 0.00 C ATOM 769 C TRP A 51 28.540 -8.504 -8.806 1.00 0.00 C ATOM 770 O TRP A 51 27.814 -7.589 -8.420 1.00 0.00 O ATOM 771 CB TRP A 51 28.817 -10.760 -7.761 1.00 0.00 C ATOM 772 CG TRP A 51 28.864 -10.108 -6.412 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.972 -9.894 -5.643 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.753 -9.587 -5.673 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.617 -9.271 -4.471 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.262 -9.071 -4.465 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.379 -9.505 -5.915 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.444 -8.484 -3.504 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.569 -8.922 -4.960 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.103 -8.416 -3.767 1.00 0.00 C ATOM 0 H TRP A 51 28.720 -11.420 -10.134 1.00 0.00 H new ATOM 0 HA TRP A 51 26.987 -9.948 -8.540 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.357 -11.744 -7.665 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.835 -10.917 -8.116 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.979 -10.173 -5.916 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.259 -9.001 -3.726 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.958 -9.890 -6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.853 -8.096 -2.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.505 -8.855 -5.136 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.443 -7.964 -3.041 1.00 0.00 H new ATOM 791 N GLY A 52 29.779 -8.309 -9.245 1.00 0.00 N ATOM 792 CA GLY A 52 30.349 -6.975 -9.291 1.00 0.00 C ATOM 793 C GLY A 52 29.429 -5.976 -9.965 1.00 0.00 C ATOM 794 O GLY A 52 29.283 -4.846 -9.498 1.00 0.00 O ATOM 0 H GLY A 52 30.399 -9.051 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.564 -6.640 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.299 -7.007 -9.824 1.00 0.00 H new ATOM 798 N GLN A 53 28.811 -6.391 -11.065 1.00 0.00 N ATOM 799 CA GLN A 53 27.903 -5.522 -11.805 1.00 0.00 C ATOM 800 C GLN A 53 26.848 -4.924 -10.881 1.00 0.00 C ATOM 801 O GLN A 53 26.423 -3.783 -11.065 1.00 0.00 O ATOM 802 CB GLN A 53 27.226 -6.300 -12.935 1.00 0.00 C ATOM 803 CG GLN A 53 28.193 -6.791 -14.000 1.00 0.00 C ATOM 804 CD GLN A 53 28.093 -6.000 -15.289 1.00 0.00 C ATOM 805 OE1 GLN A 53 27.147 -6.164 -16.060 1.00 0.00 O ATOM 806 NE2 GLN A 53 29.071 -5.134 -15.530 1.00 0.00 N ATOM 0 H GLN A 53 28.922 -7.323 -11.464 1.00 0.00 H new ATOM 0 HA GLN A 53 28.488 -4.708 -12.233 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.700 -7.156 -12.511 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.475 -5.664 -13.403 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.212 -6.727 -13.617 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.996 -7.843 -14.207 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.836 -5.030 -14.863 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.057 -4.573 -16.382 1.00 0.00 H new ATOM 815 N ARG A 54 26.431 -5.700 -9.887 1.00 0.00 N ATOM 816 CA ARG A 54 25.424 -5.247 -8.934 1.00 0.00 C ATOM 817 C ARG A 54 26.015 -4.232 -7.960 1.00 0.00 C ATOM 818 O ARG A 54 25.333 -3.306 -7.520 1.00 0.00 O ATOM 819 CB ARG A 54 24.849 -6.436 -8.163 1.00 0.00 C ATOM 820 CG ARG A 54 24.757 -7.710 -8.986 1.00 0.00 C ATOM 821 CD ARG A 54 24.063 -7.464 -10.317 1.00 0.00 C ATOM 822 NE ARG A 54 22.773 -8.145 -10.395 1.00 0.00 N ATOM 823 CZ ARG A 54 21.651 -7.655 -9.882 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.659 -6.486 -9.256 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.516 -8.335 -9.994 1.00 0.00 N ATOM 0 H ARG A 54 26.774 -6.646 -9.720 1.00 0.00 H new ATOM 0 HA ARG A 54 24.622 -4.764 -9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.469 -6.624 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 54 23.855 -6.176 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.758 -8.103 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.212 -8.469 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.917 -6.393 -10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.704 -7.807 -11.129 1.00 0.00 H new ATOM 0 HE ARG A 54 22.732 -9.047 -10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.529 -5.961 -9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.795 -6.112 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.506 -9.235 -10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.654 -7.958 -9.599 1.00 0.00 H new ATOM 839 N LYS A 55 27.289 -4.413 -7.626 1.00 0.00 N ATOM 840 CA LYS A 55 27.974 -3.514 -6.705 1.00 0.00 C ATOM 841 C LYS A 55 28.780 -2.466 -7.466 1.00 0.00 C ATOM 842 O LYS A 55 29.579 -1.736 -6.879 1.00 0.00 O ATOM 843 CB LYS A 55 28.896 -4.308 -5.777 1.00 0.00 C ATOM 844 CG LYS A 55 28.156 -5.260 -4.853 1.00 0.00 C ATOM 845 CD LYS A 55 28.218 -4.796 -3.408 1.00 0.00 C ATOM 846 CE LYS A 55 27.084 -3.837 -3.081 1.00 0.00 C ATOM 847 NZ LYS A 55 27.561 -2.430 -2.975 1.00 0.00 N ATOM 0 H LYS A 55 27.868 -5.175 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 55 27.220 -3.002 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.603 -4.877 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.480 -3.611 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.115 -5.337 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.588 -6.257 -4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.168 -5.660 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 55 29.174 -4.307 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.318 -3.904 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.617 -4.134 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.759 -1.807 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 28.274 -2.361 -2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.984 -2.138 -3.879 1.00 0.00 H new ATOM 861 N LYS A 56 28.565 -2.397 -8.775 1.00 0.00 N ATOM 862 CA LYS A 56 29.269 -1.436 -9.617 1.00 0.00 C ATOM 863 C LYS A 56 30.750 -1.381 -9.256 1.00 0.00 C ATOM 864 O LYS A 56 31.398 -0.347 -9.414 1.00 0.00 O ATOM 865 CB LYS A 56 28.645 -0.047 -9.472 1.00 0.00 C ATOM 866 CG LYS A 56 28.029 0.480 -10.756 1.00 0.00 C ATOM 867 CD LYS A 56 27.067 1.625 -10.485 1.00 0.00 C ATOM 868 CE LYS A 56 26.582 2.264 -11.777 1.00 0.00 C ATOM 869 NZ LYS A 56 25.303 3.001 -11.585 1.00 0.00 N ATOM 0 H LYS A 56 27.909 -2.995 -9.277 1.00 0.00 H new ATOM 0 HA LYS A 56 29.177 -1.761 -10.653 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.878 -0.081 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.409 0.652 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 56 28.818 0.818 -11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 56 27.502 -0.327 -11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 56 26.213 1.257 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 56 27.559 2.377 -9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 56 27.343 2.949 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 56 26.446 1.493 -12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.006 3.422 -12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 24.570 2.343 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.439 3.754 -10.880 1.00 0.00 H new ATOM 883 N ASN A 57 31.280 -2.500 -8.773 1.00 0.00 N ATOM 884 CA ASN A 57 32.685 -2.578 -8.391 1.00 0.00 C ATOM 885 C ASN A 57 33.587 -2.525 -9.621 1.00 0.00 C ATOM 886 O ASN A 57 34.538 -1.745 -9.673 1.00 0.00 O ATOM 887 CB ASN A 57 32.951 -3.863 -7.604 1.00 0.00 C ATOM 888 CG ASN A 57 34.299 -3.847 -6.910 1.00 0.00 C ATOM 889 OD1 ASN A 57 34.915 -2.794 -6.749 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.764 -5.020 -6.496 1.00 0.00 N ATOM 0 H ASN A 57 30.757 -3.365 -8.637 1.00 0.00 H new ATOM 0 HA ASN A 57 32.912 -1.720 -7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.165 -4.001 -6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.904 -4.716 -8.280 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.666 -5.073 -6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 57 34.219 -5.868 -6.651 1.00 0.00 H new ATOM 897 N ASP A 58 33.280 -3.359 -10.608 1.00 0.00 N ATOM 898 CA ASP A 58 34.061 -3.407 -11.838 1.00 0.00 C ATOM 899 C ASP A 58 35.287 -4.300 -11.670 1.00 0.00 C ATOM 900 O ASP A 58 35.720 -4.961 -12.613 1.00 0.00 O ATOM 901 CB ASP A 58 34.493 -1.999 -12.249 1.00 0.00 C ATOM 902 CG ASP A 58 34.765 -1.887 -13.736 1.00 0.00 C ATOM 903 OD1 ASP A 58 35.623 -2.641 -14.240 1.00 0.00 O ATOM 904 OD2 ASP A 58 34.121 -1.044 -14.396 1.00 0.00 O ATOM 0 H ASP A 58 32.496 -4.011 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 58 33.432 -3.829 -12.622 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.715 -1.288 -11.970 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.391 -1.722 -11.697 1.00 0.00 H new ATOM 909 N ARG A 59 35.842 -4.312 -10.462 1.00 0.00 N ATOM 910 CA ARG A 59 37.019 -5.121 -10.170 1.00 0.00 C ATOM 911 C ARG A 59 36.650 -6.329 -9.314 1.00 0.00 C ATOM 912 O ARG A 59 37.466 -6.824 -8.538 1.00 0.00 O ATOM 913 CB ARG A 59 38.078 -4.280 -9.455 1.00 0.00 C ATOM 914 CG ARG A 59 37.606 -3.707 -8.128 1.00 0.00 C ATOM 915 CD ARG A 59 38.589 -2.682 -7.584 1.00 0.00 C ATOM 916 NE ARG A 59 38.292 -2.321 -6.200 1.00 0.00 N ATOM 917 CZ ARG A 59 38.990 -1.427 -5.508 1.00 0.00 C ATOM 918 NH1 ARG A 59 40.019 -0.807 -6.068 1.00 0.00 N ATOM 919 NH2 ARG A 59 38.658 -1.153 -4.253 1.00 0.00 N ATOM 0 H ARG A 59 35.495 -3.771 -9.670 1.00 0.00 H new ATOM 0 HA ARG A 59 37.427 -5.478 -11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 59 38.962 -4.894 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.381 -3.461 -10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 59 36.629 -3.242 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.482 -4.514 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 59 39.601 -3.082 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 59 38.562 -1.787 -8.206 1.00 0.00 H new ATOM 0 HE ARG A 59 37.506 -2.780 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 59 40.277 -1.016 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 59 40.553 -0.121 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 59 37.867 -1.629 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 59 39.194 -0.467 -3.722 1.00 0.00 H new ATOM 933 N MET A 60 35.414 -6.797 -9.461 1.00 0.00 N ATOM 934 CA MET A 60 34.938 -7.947 -8.701 1.00 0.00 C ATOM 935 C MET A 60 35.468 -9.248 -9.295 1.00 0.00 C ATOM 936 O MET A 60 35.490 -9.423 -10.514 1.00 0.00 O ATOM 937 CB MET A 60 33.408 -7.970 -8.676 1.00 0.00 C ATOM 938 CG MET A 60 32.831 -9.163 -7.932 1.00 0.00 C ATOM 939 SD MET A 60 33.512 -9.343 -6.273 1.00 0.00 S ATOM 940 CE MET A 60 32.588 -8.089 -5.389 1.00 0.00 C ATOM 0 H MET A 60 34.725 -6.398 -10.099 1.00 0.00 H new ATOM 0 HA MET A 60 35.310 -7.856 -7.680 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.046 -7.053 -8.211 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.036 -7.976 -9.701 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.748 -9.056 -7.866 1.00 0.00 H new ATOM 0 HG3 MET A 60 33.028 -10.071 -8.502 1.00 0.00 H new ATOM 0 HE1 MET A 60 33.240 -7.244 -5.170 1.00 0.00 H new ATOM 0 HE2 MET A 60 31.752 -7.753 -6.002 1.00 0.00 H new ATOM 0 HE3 MET A 60 32.209 -8.506 -4.456 1.00 0.00 H new ATOM 950 N THR A 61 35.895 -10.159 -8.427 1.00 0.00 N ATOM 951 CA THR A 61 36.427 -11.443 -8.865 1.00 0.00 C ATOM 952 C THR A 61 36.259 -12.506 -7.785 1.00 0.00 C ATOM 953 O THR A 61 36.431 -12.230 -6.597 1.00 0.00 O ATOM 954 CB THR A 61 37.917 -11.337 -9.238 1.00 0.00 C ATOM 955 OG1 THR A 61 38.485 -12.646 -9.367 1.00 0.00 O ATOM 956 CG2 THR A 61 38.683 -10.549 -8.186 1.00 0.00 C ATOM 0 H THR A 61 35.883 -10.031 -7.415 1.00 0.00 H new ATOM 0 HA THR A 61 35.859 -11.734 -9.749 1.00 0.00 H new ATOM 0 HB THR A 61 37.994 -10.813 -10.191 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.432 -12.569 -9.606 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.733 -10.487 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.268 -9.544 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.597 -11.050 -7.222 1.00 0.00 H new ATOM 964 N TYR A 62 35.924 -13.721 -8.204 1.00 0.00 N ATOM 965 CA TYR A 62 35.731 -14.825 -7.271 1.00 0.00 C ATOM 966 C TYR A 62 36.737 -14.752 -6.125 1.00 0.00 C ATOM 967 O TYR A 62 36.391 -14.977 -4.966 1.00 0.00 O ATOM 968 CB TYR A 62 35.866 -16.164 -7.998 1.00 0.00 C ATOM 969 CG TYR A 62 35.202 -17.314 -7.275 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.873 -17.237 -6.879 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.904 -18.478 -6.988 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.262 -18.285 -6.218 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.302 -19.532 -6.329 1.00 0.00 C ATOM 974 CZ TYR A 62 33.980 -19.431 -5.946 1.00 0.00 C ATOM 975 OH TYR A 62 33.377 -20.478 -5.288 1.00 0.00 O ATOM 0 H TYR A 62 35.780 -13.967 -9.184 1.00 0.00 H new ATOM 0 HA TYR A 62 34.727 -14.744 -6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.432 -16.073 -8.994 1.00 0.00 H new ATOM 0 HB3 TYR A 62 36.924 -16.391 -8.131 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.307 -16.342 -7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.939 -18.560 -7.286 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.228 -18.207 -5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.863 -20.430 -6.115 1.00 0.00 H new ATOM 0 HH TYR A 62 33.927 -21.284 -5.383 1.00 0.00 H new ATOM 985 N GLU A 63 37.983 -14.434 -6.460 1.00 0.00 N ATOM 986 CA GLU A 63 39.040 -14.331 -5.460 1.00 0.00 C ATOM 987 C GLU A 63 38.608 -13.435 -4.303 1.00 0.00 C ATOM 988 O GLU A 63 38.790 -13.779 -3.135 1.00 0.00 O ATOM 989 CB GLU A 63 40.320 -13.783 -6.094 1.00 0.00 C ATOM 990 CG GLU A 63 41.577 -14.522 -5.663 1.00 0.00 C ATOM 991 CD GLU A 63 42.838 -13.921 -6.254 1.00 0.00 C ATOM 992 OE1 GLU A 63 42.992 -13.966 -7.492 1.00 0.00 O ATOM 993 OE2 GLU A 63 43.670 -13.406 -5.478 1.00 0.00 O ATOM 0 H GLU A 63 38.286 -14.243 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 63 39.235 -15.330 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.230 -13.838 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.421 -12.729 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.647 -14.508 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.501 -15.567 -5.964 1.00 0.00 H new ATOM 1000 N LYS A 64 38.035 -12.283 -4.636 1.00 0.00 N ATOM 1001 CA LYS A 64 37.576 -11.336 -3.627 1.00 0.00 C ATOM 1002 C LYS A 64 36.185 -11.709 -3.124 1.00 0.00 C ATOM 1003 O LYS A 64 35.916 -11.663 -1.923 1.00 0.00 O ATOM 1004 CB LYS A 64 37.560 -9.917 -4.199 1.00 0.00 C ATOM 1005 CG LYS A 64 38.861 -9.518 -4.873 1.00 0.00 C ATOM 1006 CD LYS A 64 38.684 -8.283 -5.741 1.00 0.00 C ATOM 1007 CE LYS A 64 39.952 -7.960 -6.517 1.00 0.00 C ATOM 1008 NZ LYS A 64 40.951 -7.249 -5.673 1.00 0.00 N ATOM 0 H LYS A 64 37.877 -11.983 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 64 38.269 -11.374 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.747 -9.834 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 64 37.346 -9.213 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.620 -9.325 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 64 39.223 -10.344 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.861 -8.442 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.413 -7.433 -5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.389 -8.883 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 64 39.702 -7.344 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 41.801 -7.046 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 40.543 -6.356 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.208 -7.847 -4.862 1.00 0.00 H new ATOM 1022 N LEU A 65 35.306 -12.079 -4.049 1.00 0.00 N ATOM 1023 CA LEU A 65 33.943 -12.462 -3.698 1.00 0.00 C ATOM 1024 C LEU A 65 33.939 -13.516 -2.596 1.00 0.00 C ATOM 1025 O LEU A 65 33.223 -13.388 -1.603 1.00 0.00 O ATOM 1026 CB LEU A 65 33.209 -12.994 -4.931 1.00 0.00 C ATOM 1027 CG LEU A 65 31.825 -13.593 -4.681 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.831 -13.088 -5.715 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.889 -15.113 -4.698 1.00 0.00 C ATOM 0 H LEU A 65 35.513 -12.122 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 65 33.427 -11.576 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 65 33.106 -12.179 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.833 -13.755 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 65 31.486 -13.276 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.851 -13.525 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.763 -12.002 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.166 -13.375 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.894 -15.521 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.250 -15.451 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.569 -15.457 -3.919 1.00 0.00 H new ATOM 1041 N SER A 66 34.746 -14.556 -2.776 1.00 0.00 N ATOM 1042 CA SER A 66 34.835 -15.633 -1.797 1.00 0.00 C ATOM 1043 C SER A 66 34.935 -15.074 -0.381 1.00 0.00 C ATOM 1044 O SER A 66 34.383 -15.640 0.562 1.00 0.00 O ATOM 1045 CB SER A 66 36.045 -16.522 -2.093 1.00 0.00 C ATOM 1046 OG SER A 66 36.076 -16.903 -3.457 1.00 0.00 O ATOM 0 H SER A 66 35.348 -14.676 -3.591 1.00 0.00 H new ATOM 0 HA SER A 66 33.927 -16.232 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 66 36.962 -15.990 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 66 36.009 -17.412 -1.464 1.00 0.00 H new ATOM 0 HG SER A 66 36.563 -16.228 -3.974 1.00 0.00 H new ATOM 1052 N ARG A 67 35.644 -13.958 -0.241 1.00 0.00 N ATOM 1053 CA ARG A 67 35.819 -13.322 1.059 1.00 0.00 C ATOM 1054 C ARG A 67 34.512 -13.329 1.847 1.00 0.00 C ATOM 1055 O ARG A 67 34.496 -13.637 3.038 1.00 0.00 O ATOM 1056 CB ARG A 67 36.314 -11.885 0.884 1.00 0.00 C ATOM 1057 CG ARG A 67 35.195 -10.874 0.694 1.00 0.00 C ATOM 1058 CD ARG A 67 35.741 -9.467 0.509 1.00 0.00 C ATOM 1059 NE ARG A 67 35.470 -8.618 1.666 1.00 0.00 N ATOM 1060 CZ ARG A 67 35.703 -7.311 1.689 1.00 0.00 C ATOM 1061 NH1 ARG A 67 36.209 -6.705 0.624 1.00 0.00 N ATOM 1062 NH2 ARG A 67 35.430 -6.606 2.780 1.00 0.00 N ATOM 0 H ARG A 67 36.106 -13.476 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 67 36.563 -13.890 1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.902 -11.603 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.981 -11.842 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.597 -11.150 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.531 -10.897 1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.817 -9.515 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 67 35.297 -9.020 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 67 35.080 -9.053 2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 67 36.421 -7.243 -0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 67 36.387 -5.701 0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 67 35.041 -7.068 3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 67 35.609 -5.602 2.797 1.00 0.00 H new ATOM 1076 N ALA A 68 33.419 -12.986 1.174 1.00 0.00 N ATOM 1077 CA ALA A 68 32.108 -12.955 1.810 1.00 0.00 C ATOM 1078 C ALA A 68 31.582 -14.365 2.055 1.00 0.00 C ATOM 1079 O ALA A 68 30.903 -14.622 3.050 1.00 0.00 O ATOM 1080 CB ALA A 68 31.126 -12.164 0.958 1.00 0.00 C ATOM 0 H ALA A 68 33.415 -12.726 0.188 1.00 0.00 H new ATOM 0 HA ALA A 68 32.213 -12.462 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 68 30.151 -12.149 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.488 -11.143 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 68 31.035 -12.633 -0.022 1.00 0.00 H new ATOM 1086 N LEU A 69 31.899 -15.276 1.142 1.00 0.00 N ATOM 1087 CA LEU A 69 31.458 -16.662 1.258 1.00 0.00 C ATOM 1088 C LEU A 69 32.050 -17.320 2.500 1.00 0.00 C ATOM 1089 O LEU A 69 31.383 -18.100 3.179 1.00 0.00 O ATOM 1090 CB LEU A 69 31.856 -17.451 0.009 1.00 0.00 C ATOM 1091 CG LEU A 69 31.417 -16.856 -1.329 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.808 -17.775 -2.476 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.917 -16.602 -1.334 1.00 0.00 C ATOM 0 H LEU A 69 32.460 -15.080 0.313 1.00 0.00 H new ATOM 0 HA LEU A 69 30.372 -16.665 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.941 -17.554 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.441 -18.456 0.091 1.00 0.00 H new ATOM 0 HG LEU A 69 31.927 -15.902 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.487 -17.335 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.890 -17.905 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.327 -18.744 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.623 -16.178 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.388 -17.542 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.664 -15.903 -0.537 1.00 0.00 H new ATOM 1105 N ARG A 70 33.306 -16.998 2.791 1.00 0.00 N ATOM 1106 CA ARG A 70 33.988 -17.557 3.952 1.00 0.00 C ATOM 1107 C ARG A 70 33.661 -16.760 5.211 1.00 0.00 C ATOM 1108 O ARG A 70 33.925 -17.207 6.328 1.00 0.00 O ATOM 1109 CB ARG A 70 35.501 -17.572 3.724 1.00 0.00 C ATOM 1110 CG ARG A 70 35.929 -18.422 2.538 1.00 0.00 C ATOM 1111 CD ARG A 70 36.668 -19.673 2.988 1.00 0.00 C ATOM 1112 NE ARG A 70 37.534 -20.204 1.939 1.00 0.00 N ATOM 1113 CZ ARG A 70 37.108 -21.011 0.973 1.00 0.00 C ATOM 1114 NH1 ARG A 70 35.835 -21.378 0.924 1.00 0.00 N ATOM 1115 NH2 ARG A 70 37.957 -21.453 0.054 1.00 0.00 N ATOM 0 H ARG A 70 33.872 -16.353 2.239 1.00 0.00 H new ATOM 0 HA ARG A 70 33.638 -18.580 4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.847 -16.550 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.992 -17.944 4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 70 35.052 -18.705 1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.571 -17.835 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 70 37.266 -19.443 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 70 35.946 -20.435 3.282 1.00 0.00 H new ATOM 0 HE ARG A 70 38.520 -19.941 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 70 35.180 -21.041 1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 70 35.511 -21.998 0.181 1.00 0.00 H new ATOM 0 HH21 ARG A 70 38.937 -21.173 0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 70 37.629 -22.072 -0.687 1.00 0.00 H new ATOM 1129 N TYR A 71 33.085 -15.578 5.023 1.00 0.00 N ATOM 1130 CA TYR A 71 32.725 -14.717 6.143 1.00 0.00 C ATOM 1131 C TYR A 71 31.288 -14.973 6.587 1.00 0.00 C ATOM 1132 O TYR A 71 30.887 -14.588 7.685 1.00 0.00 O ATOM 1133 CB TYR A 71 32.897 -13.246 5.760 1.00 0.00 C ATOM 1134 CG TYR A 71 32.546 -12.285 6.872 1.00 0.00 C ATOM 1135 CD1 TYR A 71 31.228 -11.912 7.104 1.00 0.00 C ATOM 1136 CD2 TYR A 71 33.532 -11.749 7.691 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.902 -11.033 8.119 1.00 0.00 C ATOM 1138 CE2 TYR A 71 33.215 -10.871 8.710 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.899 -10.516 8.919 1.00 0.00 C ATOM 1140 OH TYR A 71 31.579 -9.640 9.932 1.00 0.00 O ATOM 0 H TYR A 71 32.857 -15.194 4.106 1.00 0.00 H new ATOM 0 HA TYR A 71 33.391 -14.949 6.974 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.930 -13.077 5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.272 -13.030 4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.445 -12.316 6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 71 34.564 -12.023 7.529 1.00 0.00 H new ATOM 0 HE1 TYR A 71 29.872 -10.753 8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 71 33.993 -10.465 9.339 1.00 0.00 H new ATOM 0 HH TYR A 71 32.396 -9.370 10.402 1.00 0.00 H new ATOM 1150 N TYR A 72 30.517 -15.626 5.724 1.00 0.00 N ATOM 1151 CA TYR A 72 29.124 -15.933 6.024 1.00 0.00 C ATOM 1152 C TYR A 72 29.022 -17.091 7.012 1.00 0.00 C ATOM 1153 O TYR A 72 27.972 -17.318 7.614 1.00 0.00 O ATOM 1154 CB TYR A 72 28.367 -16.276 4.740 1.00 0.00 C ATOM 1155 CG TYR A 72 27.938 -15.061 3.948 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.335 -13.977 4.572 1.00 0.00 C ATOM 1157 CD2 TYR A 72 28.138 -14.998 2.574 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.941 -12.866 3.852 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.749 -13.890 1.846 1.00 0.00 C ATOM 1160 CZ TYR A 72 27.150 -12.827 2.490 1.00 0.00 C ATOM 1161 OH TYR A 72 26.761 -11.721 1.769 1.00 0.00 O ATOM 0 H TYR A 72 30.834 -15.953 4.811 1.00 0.00 H new ATOM 0 HA TYR A 72 28.674 -15.050 6.478 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.999 -16.904 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.485 -16.864 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 72 27.171 -14.003 5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.605 -15.829 2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.472 -12.032 4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.913 -13.856 0.779 1.00 0.00 H new ATOM 0 HH TYR A 72 27.555 -11.234 1.463 1.00 0.00 H new ATOM 1171 N TYR A 73 30.120 -17.821 7.173 1.00 0.00 N ATOM 1172 CA TYR A 73 30.155 -18.957 8.086 1.00 0.00 C ATOM 1173 C TYR A 73 30.114 -18.491 9.538 1.00 0.00 C ATOM 1174 O TYR A 73 29.820 -19.270 10.445 1.00 0.00 O ATOM 1175 CB TYR A 73 31.412 -19.795 7.843 1.00 0.00 C ATOM 1176 CG TYR A 73 31.542 -20.292 6.421 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.432 -20.742 5.717 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.776 -20.314 5.782 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.546 -21.198 4.418 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.899 -20.767 4.483 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.782 -21.208 3.805 1.00 0.00 C ATOM 1182 OH TYR A 73 31.901 -21.661 2.511 1.00 0.00 O ATOM 0 H TYR A 73 30.997 -17.646 6.683 1.00 0.00 H new ATOM 0 HA TYR A 73 29.275 -19.571 7.895 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.290 -19.199 8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.405 -20.650 8.519 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.463 -20.735 6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.654 -19.971 6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.673 -21.545 3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.865 -20.776 4.001 1.00 0.00 H new ATOM 0 HH TYR A 73 32.837 -21.601 2.228 1.00 0.00 H new ATOM 1192 N LYS A 74 30.410 -17.214 9.751 1.00 0.00 N ATOM 1193 CA LYS A 74 30.406 -16.640 11.091 1.00 0.00 C ATOM 1194 C LYS A 74 29.012 -16.150 11.469 1.00 0.00 C ATOM 1195 O LYS A 74 28.641 -16.143 12.643 1.00 0.00 O ATOM 1196 CB LYS A 74 31.405 -15.484 11.177 1.00 0.00 C ATOM 1197 CG LYS A 74 32.579 -15.623 10.223 1.00 0.00 C ATOM 1198 CD LYS A 74 33.827 -14.955 10.775 1.00 0.00 C ATOM 1199 CE LYS A 74 35.080 -15.750 10.438 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.037 -17.122 11.016 1.00 0.00 N ATOM 0 H LYS A 74 30.656 -16.556 9.012 1.00 0.00 H new ATOM 0 HA LYS A 74 30.701 -17.420 11.793 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.885 -14.549 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.783 -15.416 12.197 1.00 0.00 H new ATOM 0 HG2 LYS A 74 32.780 -16.679 10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.322 -15.179 9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.913 -13.948 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 74 33.739 -14.854 11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.189 -15.815 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 74 35.957 -15.224 10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.002 -17.428 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 34.451 -17.119 11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 34.629 -17.779 10.321 1.00 0.00 H new ATOM 1214 N THR A 75 28.241 -15.741 10.466 1.00 0.00 N ATOM 1215 CA THR A 75 26.888 -15.250 10.693 1.00 0.00 C ATOM 1216 C THR A 75 25.859 -16.353 10.474 1.00 0.00 C ATOM 1217 O THR A 75 24.676 -16.177 10.762 1.00 0.00 O ATOM 1218 CB THR A 75 26.558 -14.065 9.766 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.819 -14.420 8.404 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.377 -12.839 10.141 1.00 0.00 C ATOM 0 H THR A 75 28.531 -15.740 9.488 1.00 0.00 H new ATOM 0 HA THR A 75 26.843 -14.915 11.729 1.00 0.00 H new ATOM 0 HB THR A 75 25.501 -13.826 9.883 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.605 -13.662 7.821 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.126 -12.016 9.472 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.154 -12.553 11.169 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.439 -13.069 10.051 1.00 0.00 H new ATOM 1228 N GLY A 76 26.318 -17.492 9.964 1.00 0.00 N ATOM 1229 CA GLY A 76 25.423 -18.607 9.717 1.00 0.00 C ATOM 1230 C GLY A 76 24.793 -18.551 8.339 1.00 0.00 C ATOM 1231 O GLY A 76 24.269 -19.551 7.848 1.00 0.00 O ATOM 0 H GLY A 76 27.293 -17.662 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.974 -19.541 9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.637 -18.612 10.472 1.00 0.00 H new ATOM 1235 N ILE A 77 24.843 -17.378 7.715 1.00 0.00 N ATOM 1236 CA ILE A 77 24.272 -17.196 6.387 1.00 0.00 C ATOM 1237 C ILE A 77 24.619 -18.366 5.474 1.00 0.00 C ATOM 1238 O ILE A 77 23.755 -18.908 4.783 1.00 0.00 O ATOM 1239 CB ILE A 77 24.764 -15.889 5.737 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.137 -14.680 6.435 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.435 -15.879 4.252 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.756 -14.335 5.922 1.00 0.00 C ATOM 0 H ILE A 77 25.273 -16.541 8.108 1.00 0.00 H new ATOM 0 HA ILE A 77 23.191 -17.145 6.513 1.00 0.00 H new ATOM 0 HB ILE A 77 25.847 -15.830 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.079 -14.878 7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.790 -13.817 6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.789 -14.949 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.924 -16.723 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.356 -15.958 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.373 -13.469 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.810 -14.105 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.088 -15.183 6.076 1.00 0.00 H new ATOM 1254 N LEU A 78 25.890 -18.754 5.475 1.00 0.00 N ATOM 1255 CA LEU A 78 26.353 -19.863 4.648 1.00 0.00 C ATOM 1256 C LEU A 78 26.805 -21.035 5.513 1.00 0.00 C ATOM 1257 O LEU A 78 26.938 -20.906 6.729 1.00 0.00 O ATOM 1258 CB LEU A 78 27.502 -19.407 3.746 1.00 0.00 C ATOM 1259 CG LEU A 78 27.102 -18.861 2.375 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.317 -18.306 1.647 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.430 -19.944 1.545 1.00 0.00 C ATOM 0 H LEU A 78 26.618 -18.317 6.040 1.00 0.00 H new ATOM 0 HA LEU A 78 25.521 -20.193 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.066 -18.636 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.177 -20.250 3.597 1.00 0.00 H new ATOM 0 HG LEU A 78 26.389 -18.049 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.014 -17.922 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.756 -17.500 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.053 -19.098 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.152 -19.537 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.120 -20.777 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.536 -20.295 2.060 1.00 0.00 H new ATOM 1273 N GLU A 79 27.040 -22.178 4.875 1.00 0.00 N ATOM 1274 CA GLU A 79 27.478 -23.373 5.587 1.00 0.00 C ATOM 1275 C GLU A 79 28.798 -23.890 5.021 1.00 0.00 C ATOM 1276 O GLU A 79 28.912 -24.150 3.823 1.00 0.00 O ATOM 1277 CB GLU A 79 26.410 -24.465 5.500 1.00 0.00 C ATOM 1278 CG GLU A 79 25.653 -24.681 6.800 1.00 0.00 C ATOM 1279 CD GLU A 79 25.836 -26.080 7.356 1.00 0.00 C ATOM 1280 OE1 GLU A 79 26.991 -26.551 7.408 1.00 0.00 O ATOM 1281 OE2 GLU A 79 24.824 -26.703 7.739 1.00 0.00 O ATOM 0 H GLU A 79 26.935 -22.301 3.868 1.00 0.00 H new ATOM 0 HA GLU A 79 27.631 -23.107 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.700 -24.205 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.883 -25.402 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.991 -23.954 7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.592 -24.496 6.633 1.00 0.00 H new ATOM 1288 N ARG A 80 29.791 -24.035 5.891 1.00 0.00 N ATOM 1289 CA ARG A 80 31.103 -24.519 5.479 1.00 0.00 C ATOM 1290 C ARG A 80 31.010 -25.938 4.925 1.00 0.00 C ATOM 1291 O ARG A 80 30.449 -26.829 5.563 1.00 0.00 O ATOM 1292 CB ARG A 80 32.077 -24.484 6.658 1.00 0.00 C ATOM 1293 CG ARG A 80 33.316 -23.641 6.400 1.00 0.00 C ATOM 1294 CD ARG A 80 33.910 -23.113 7.696 1.00 0.00 C ATOM 1295 NE ARG A 80 35.351 -23.342 7.771 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.150 -22.719 8.630 1.00 0.00 C ATOM 1297 NH1 ARG A 80 35.652 -21.834 9.482 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.451 -22.981 8.637 1.00 0.00 N ATOM 0 H ARG A 80 29.712 -23.824 6.886 1.00 0.00 H new ATOM 0 HA ARG A 80 31.473 -23.863 4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.559 -24.095 7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 80 32.384 -25.503 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.061 -24.238 5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.060 -22.805 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.708 -22.045 7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.422 -23.596 8.542 1.00 0.00 H new ATOM 0 HE ARG A 80 35.766 -24.017 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 80 34.653 -21.630 9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 80 36.268 -21.357 10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.838 -23.661 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.064 -22.502 9.297 1.00 0.00 H new ATOM 1312 N VAL A 81 31.563 -26.140 3.734 1.00 0.00 N ATOM 1313 CA VAL A 81 31.544 -27.450 3.094 1.00 0.00 C ATOM 1314 C VAL A 81 32.953 -27.908 2.735 1.00 0.00 C ATOM 1315 O VAL A 81 33.783 -27.111 2.296 1.00 0.00 O ATOM 1316 CB VAL A 81 30.679 -27.439 1.819 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.342 -28.859 1.390 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.413 -26.626 2.042 1.00 0.00 C ATOM 0 H VAL A 81 32.030 -25.413 3.192 1.00 0.00 H new ATOM 0 HA VAL A 81 31.111 -28.146 3.812 1.00 0.00 H new ATOM 0 HB VAL A 81 31.249 -26.969 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 81 29.731 -28.831 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.263 -29.406 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 81 29.791 -29.359 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.814 -26.629 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.837 -27.065 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.679 -25.601 2.298 1.00 0.00 H new ATOM 1328 N ASP A 82 33.216 -29.196 2.923 1.00 0.00 N ATOM 1329 CA ASP A 82 34.525 -29.761 2.617 1.00 0.00 C ATOM 1330 C ASP A 82 34.615 -30.161 1.148 1.00 0.00 C ATOM 1331 O ASP A 82 35.387 -31.048 0.781 1.00 0.00 O ATOM 1332 CB ASP A 82 34.801 -30.975 3.507 1.00 0.00 C ATOM 1333 CG ASP A 82 35.330 -30.583 4.872 1.00 0.00 C ATOM 1334 OD1 ASP A 82 36.359 -29.878 4.930 1.00 0.00 O ATOM 1335 OD2 ASP A 82 34.715 -30.981 5.883 1.00 0.00 O ATOM 0 H ASP A 82 32.540 -29.869 3.286 1.00 0.00 H new ATOM 0 HA ASP A 82 35.278 -28.997 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.883 -31.550 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.523 -31.627 3.014 1.00 0.00 H new ATOM 1340 N ARG A 83 33.820 -29.503 0.311 1.00 0.00 N ATOM 1341 CA ARG A 83 33.808 -29.791 -1.118 1.00 0.00 C ATOM 1342 C ARG A 83 34.426 -28.643 -1.910 1.00 0.00 C ATOM 1343 O ARG A 83 34.759 -27.598 -1.350 1.00 0.00 O ATOM 1344 CB ARG A 83 32.377 -30.043 -1.597 1.00 0.00 C ATOM 1345 CG ARG A 83 31.795 -31.361 -1.115 1.00 0.00 C ATOM 1346 CD ARG A 83 30.277 -31.363 -1.194 1.00 0.00 C ATOM 1347 NE ARG A 83 29.786 -32.205 -2.282 1.00 0.00 N ATOM 1348 CZ ARG A 83 29.979 -33.518 -2.339 1.00 0.00 C ATOM 1349 NH1 ARG A 83 30.647 -34.136 -1.376 1.00 0.00 N ATOM 1350 NH2 ARG A 83 29.501 -34.215 -3.362 1.00 0.00 N ATOM 0 H ARG A 83 33.175 -28.766 0.598 1.00 0.00 H new ATOM 0 HA ARG A 83 34.404 -30.688 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.740 -29.228 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.360 -30.025 -2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.193 -32.177 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.107 -31.543 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 83 29.865 -31.716 -0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 83 29.920 -30.343 -1.336 1.00 0.00 H new ATOM 0 HE ARG A 83 29.267 -31.761 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 83 31.015 -33.603 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 83 30.793 -35.144 -1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 83 28.985 -33.743 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 83 29.649 -35.223 -3.406 1.00 0.00 H new ATOM 1364 N ARG A 84 34.578 -28.845 -3.215 1.00 0.00 N ATOM 1365 CA ARG A 84 35.159 -27.828 -4.083 1.00 0.00 C ATOM 1366 C ARG A 84 34.073 -27.106 -4.875 1.00 0.00 C ATOM 1367 O ARG A 84 33.223 -27.738 -5.504 1.00 0.00 O ATOM 1368 CB ARG A 84 36.168 -28.461 -5.042 1.00 0.00 C ATOM 1369 CG ARG A 84 36.706 -27.496 -6.085 1.00 0.00 C ATOM 1370 CD ARG A 84 36.904 -28.180 -7.428 1.00 0.00 C ATOM 1371 NE ARG A 84 38.284 -28.617 -7.622 1.00 0.00 N ATOM 1372 CZ ARG A 84 38.670 -29.420 -8.607 1.00 0.00 C ATOM 1373 NH1 ARG A 84 37.783 -29.872 -9.484 1.00 0.00 N ATOM 1374 NH2 ARG A 84 39.944 -29.773 -8.717 1.00 0.00 N ATOM 0 H ARG A 84 34.307 -29.704 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 84 35.673 -27.100 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 84 37.002 -28.862 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 84 35.696 -29.303 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 84 36.015 -26.660 -6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 84 37.654 -27.081 -5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 84 36.238 -29.040 -7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 84 36.625 -27.495 -8.228 1.00 0.00 H new ATOM 0 HE ARG A 84 38.991 -28.287 -6.964 1.00 0.00 H new ATOM 0 HH11 ARG A 84 36.803 -29.603 -9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 84 38.082 -30.489 -10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 84 40.629 -29.428 -8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 84 40.239 -30.390 -9.474 1.00 0.00 H new ATOM 1388 N LEU A 85 34.107 -25.778 -4.840 1.00 0.00 N ATOM 1389 CA LEU A 85 33.125 -24.969 -5.554 1.00 0.00 C ATOM 1390 C LEU A 85 31.705 -25.370 -5.170 1.00 0.00 C ATOM 1391 O LEU A 85 30.785 -25.294 -5.984 1.00 0.00 O ATOM 1392 CB LEU A 85 33.317 -25.114 -7.065 1.00 0.00 C ATOM 1393 CG LEU A 85 34.187 -24.051 -7.736 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.455 -23.812 -6.932 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.527 -24.462 -9.161 1.00 0.00 C ATOM 0 H LEU A 85 34.803 -25.239 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 85 33.277 -23.927 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.756 -26.092 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.335 -25.103 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 85 33.624 -23.119 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.061 -23.052 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.192 -23.472 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 85 36.022 -24.740 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.147 -23.694 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 85 35.070 -25.407 -9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.608 -24.580 -9.735 1.00 0.00 H new ATOM 1407 N VAL A 86 31.533 -25.795 -3.922 1.00 0.00 N ATOM 1408 CA VAL A 86 30.224 -26.206 -3.428 1.00 0.00 C ATOM 1409 C VAL A 86 29.907 -25.540 -2.094 1.00 0.00 C ATOM 1410 O VAL A 86 30.641 -25.700 -1.118 1.00 0.00 O ATOM 1411 CB VAL A 86 30.141 -27.734 -3.259 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.885 -28.120 -2.492 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.181 -28.423 -4.614 1.00 0.00 C ATOM 0 H VAL A 86 32.284 -25.864 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 86 29.492 -25.891 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 86 31.005 -28.065 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.844 -29.204 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.904 -27.656 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 86 28.006 -27.777 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.121 -29.502 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.338 -28.088 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.113 -28.173 -5.122 1.00 0.00 H new ATOM 1423 N TYR A 87 28.809 -24.792 -2.058 1.00 0.00 N ATOM 1424 CA TYR A 87 28.395 -24.100 -0.843 1.00 0.00 C ATOM 1425 C TYR A 87 26.965 -24.473 -0.464 1.00 0.00 C ATOM 1426 O TYR A 87 26.255 -25.123 -1.232 1.00 0.00 O ATOM 1427 CB TYR A 87 28.506 -22.586 -1.031 1.00 0.00 C ATOM 1428 CG TYR A 87 29.890 -22.126 -1.431 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.418 -22.447 -2.675 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.670 -21.370 -0.564 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.682 -22.030 -3.045 1.00 0.00 C ATOM 1432 CE2 TYR A 87 31.934 -20.947 -0.926 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.436 -21.279 -2.167 1.00 0.00 C ATOM 1434 OH TYR A 87 33.695 -20.861 -2.530 1.00 0.00 O ATOM 0 H TYR A 87 28.190 -24.650 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 87 29.058 -24.409 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.793 -22.269 -1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.222 -22.091 -0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.830 -23.033 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.281 -21.109 0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.078 -22.290 -4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.526 -20.359 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 87 33.718 -20.690 -3.495 1.00 0.00 H new ATOM 1444 N LYS A 88 26.548 -24.056 0.726 1.00 0.00 N ATOM 1445 CA LYS A 88 25.202 -24.343 1.210 1.00 0.00 C ATOM 1446 C LYS A 88 24.703 -23.227 2.122 1.00 0.00 C ATOM 1447 O LYS A 88 25.449 -22.710 2.954 1.00 0.00 O ATOM 1448 CB LYS A 88 25.181 -25.677 1.960 1.00 0.00 C ATOM 1449 CG LYS A 88 23.846 -25.986 2.613 1.00 0.00 C ATOM 1450 CD LYS A 88 24.022 -26.797 3.886 1.00 0.00 C ATOM 1451 CE LYS A 88 22.685 -27.100 4.544 1.00 0.00 C ATOM 1452 NZ LYS A 88 22.299 -26.048 5.526 1.00 0.00 N ATOM 0 H LYS A 88 27.123 -23.518 1.374 1.00 0.00 H new ATOM 0 HA LYS A 88 24.539 -24.408 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.430 -26.479 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 88 25.957 -25.666 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.328 -25.055 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.217 -26.537 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.535 -27.731 3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.656 -26.249 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.914 -27.183 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.739 -28.065 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.408 -26.316 5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 23.046 -25.951 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.173 -25.141 5.032 1.00 0.00 H new ATOM 1466 N PHE A 89 23.435 -22.861 1.961 1.00 0.00 N ATOM 1467 CA PHE A 89 22.836 -21.806 2.770 1.00 0.00 C ATOM 1468 C PHE A 89 22.453 -22.331 4.151 1.00 0.00 C ATOM 1469 O PHE A 89 21.764 -23.344 4.273 1.00 0.00 O ATOM 1470 CB PHE A 89 21.602 -21.235 2.069 1.00 0.00 C ATOM 1471 CG PHE A 89 21.911 -20.568 0.759 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.357 -19.257 0.722 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.757 -21.253 -0.436 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.642 -18.641 -0.482 1.00 0.00 C ATOM 1475 CE2 PHE A 89 22.041 -20.642 -1.643 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.485 -19.335 -1.666 1.00 0.00 C ATOM 0 H PHE A 89 22.803 -23.279 1.278 1.00 0.00 H new ATOM 0 HA PHE A 89 23.574 -21.014 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.887 -22.039 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.120 -20.514 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.483 -18.710 1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.411 -22.276 -0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 89 22.987 -17.618 -0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.916 -21.187 -2.567 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.709 -18.856 -2.608 1.00 0.00 H new ATOM 1486 N GLY A 90 22.905 -21.635 5.189 1.00 0.00 N ATOM 1487 CA GLY A 90 22.600 -22.045 6.547 1.00 0.00 C ATOM 1488 C GLY A 90 21.166 -21.746 6.936 1.00 0.00 C ATOM 1489 O GLY A 90 20.263 -21.803 6.100 1.00 0.00 O ATOM 0 H GLY A 90 23.477 -20.794 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.786 -23.114 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.274 -21.536 7.237 1.00 0.00 H new ATOM 1493 N LYS A 91 20.954 -21.428 8.208 1.00 0.00 N ATOM 1494 CA LYS A 91 19.619 -21.119 8.707 1.00 0.00 C ATOM 1495 C LYS A 91 19.370 -19.614 8.699 1.00 0.00 C ATOM 1496 O LYS A 91 18.225 -19.165 8.739 1.00 0.00 O ATOM 1497 CB LYS A 91 19.443 -21.668 10.125 1.00 0.00 C ATOM 1498 CG LYS A 91 20.485 -21.162 11.107 1.00 0.00 C ATOM 1499 CD LYS A 91 21.334 -22.297 11.654 1.00 0.00 C ATOM 1500 CE LYS A 91 20.813 -22.785 12.997 1.00 0.00 C ATOM 1501 NZ LYS A 91 20.381 -24.209 12.941 1.00 0.00 N ATOM 0 H LYS A 91 21.690 -21.377 8.913 1.00 0.00 H new ATOM 0 HA LYS A 91 18.893 -21.593 8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.452 -21.399 10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.486 -22.757 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.127 -20.432 10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.990 -20.647 11.931 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.341 -23.123 10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.365 -21.962 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.591 -22.671 13.751 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.974 -22.163 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.033 -24.503 13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.620 -24.314 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.188 -24.806 12.669 1.00 0.00 H new ATOM 1515 N ASN A 92 20.449 -18.840 8.645 1.00 0.00 N ATOM 1516 CA ASN A 92 20.347 -17.385 8.630 1.00 0.00 C ATOM 1517 C ASN A 92 19.716 -16.898 7.330 1.00 0.00 C ATOM 1518 O ASN A 92 19.020 -15.883 7.308 1.00 0.00 O ATOM 1519 CB ASN A 92 21.730 -16.754 8.808 1.00 0.00 C ATOM 1520 CG ASN A 92 22.036 -16.431 10.257 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.356 -15.292 10.597 1.00 0.00 O ATOM 1522 ND2 ASN A 92 21.939 -17.436 11.121 1.00 0.00 N ATOM 0 H ASN A 92 21.404 -19.196 8.611 1.00 0.00 H new ATOM 0 HA ASN A 92 19.708 -17.081 9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.489 -17.434 8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.789 -15.841 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.133 -17.279 12.110 1.00 0.00 H new ATOM 0 HD22 ASN A 92 21.670 -18.364 10.795 1.00 0.00 H new ATOM 1529 N ALA A 93 19.965 -17.628 6.248 1.00 0.00 N ATOM 1530 CA ALA A 93 19.419 -17.272 4.944 1.00 0.00 C ATOM 1531 C ALA A 93 17.926 -17.575 4.872 1.00 0.00 C ATOM 1532 O ALA A 93 17.389 -18.301 5.709 1.00 0.00 O ATOM 1533 CB ALA A 93 20.163 -18.010 3.841 1.00 0.00 C ATOM 0 H ALA A 93 20.541 -18.470 6.249 1.00 0.00 H new ATOM 0 HA ALA A 93 19.552 -16.199 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.745 -17.735 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.219 -17.740 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.059 -19.085 3.988 1.00 0.00 H new ATOM 1539 N HIS A 94 17.261 -17.015 3.867 1.00 0.00 N ATOM 1540 CA HIS A 94 15.829 -17.226 3.686 1.00 0.00 C ATOM 1541 C HIS A 94 15.424 -16.989 2.234 1.00 0.00 C ATOM 1542 O HIS A 94 15.990 -16.135 1.553 1.00 0.00 O ATOM 1543 CB HIS A 94 15.035 -16.298 4.606 1.00 0.00 C ATOM 1544 CG HIS A 94 15.527 -14.883 4.599 1.00 0.00 C ATOM 1545 ND1 HIS A 94 16.042 -14.260 5.716 1.00 0.00 N ATOM 1546 CD2 HIS A 94 15.582 -13.970 3.602 1.00 0.00 C ATOM 1547 CE1 HIS A 94 16.391 -13.024 5.407 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.122 -12.823 4.129 1.00 0.00 N ATOM 0 H HIS A 94 17.690 -16.412 3.166 1.00 0.00 H new ATOM 0 HA HIS A 94 15.604 -18.261 3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 94 13.987 -16.311 4.305 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.079 -16.684 5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 94 15.261 -14.116 2.581 1.00 0.00 H new ATOM 0 HE1 HIS A 94 16.823 -12.301 6.083 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.288 -11.957 3.617 1.00 0.00 H new ATOM 1556 N GLY A 95 14.441 -17.753 1.767 1.00 0.00 N ATOM 1557 CA GLY A 95 13.978 -17.612 0.399 1.00 0.00 C ATOM 1558 C GLY A 95 14.039 -18.916 -0.372 1.00 0.00 C ATOM 1559 O GLY A 95 13.135 -19.230 -1.146 1.00 0.00 O ATOM 0 H GLY A 95 13.957 -18.467 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.952 -17.243 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.584 -16.863 -0.111 1.00 0.00 H new ATOM 1563 N TRP A 96 15.108 -19.676 -0.161 1.00 0.00 N ATOM 1564 CA TRP A 96 15.284 -20.953 -0.843 1.00 0.00 C ATOM 1565 C TRP A 96 14.490 -22.055 -0.150 1.00 0.00 C ATOM 1566 O TRP A 96 13.706 -22.760 -0.785 1.00 0.00 O ATOM 1567 CB TRP A 96 16.766 -21.329 -0.891 1.00 0.00 C ATOM 1568 CG TRP A 96 17.350 -21.615 0.459 1.00 0.00 C ATOM 1569 CD1 TRP A 96 17.985 -20.729 1.281 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.355 -22.873 1.142 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.385 -21.360 2.434 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.009 -22.676 2.374 1.00 0.00 C ATOM 1573 CE3 TRP A 96 16.869 -24.147 0.834 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.189 -23.706 3.294 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.049 -25.167 1.748 1.00 0.00 C ATOM 1576 CH2 TRP A 96 17.703 -24.942 2.966 1.00 0.00 C ATOM 0 H TRP A 96 15.865 -19.430 0.476 1.00 0.00 H new ATOM 0 HA TRP A 96 14.910 -20.847 -1.861 1.00 0.00 H new ATOM 0 HB2 TRP A 96 16.891 -22.206 -1.526 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.325 -20.517 -1.356 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.149 -19.685 1.058 1.00 0.00 H new ATOM 0 HE1 TRP A 96 18.881 -20.920 3.209 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.362 -24.331 -0.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 18.694 -23.535 4.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 16.679 -26.156 1.519 1.00 0.00 H new ATOM 0 HH2 TRP A 96 17.826 -25.760 3.660 1.00 0.00 H new ATOM 1587 N GLN A 97 14.698 -22.197 1.155 1.00 0.00 N ATOM 1588 CA GLN A 97 14.000 -23.214 1.934 1.00 0.00 C ATOM 1589 C GLN A 97 12.491 -23.100 1.749 1.00 0.00 C ATOM 1590 O GLN A 97 11.961 -22.007 1.555 1.00 0.00 O ATOM 1591 CB GLN A 97 14.356 -23.085 3.416 1.00 0.00 C ATOM 1592 CG GLN A 97 13.342 -22.286 4.218 1.00 0.00 C ATOM 1593 CD GLN A 97 13.953 -21.624 5.436 1.00 0.00 C ATOM 1594 OE1 GLN A 97 13.433 -21.739 6.547 1.00 0.00 O ATOM 1595 NE2 GLN A 97 15.064 -20.924 5.236 1.00 0.00 N ATOM 0 H GLN A 97 15.344 -21.621 1.695 1.00 0.00 H new ATOM 0 HA GLN A 97 14.319 -24.193 1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.444 -24.082 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.333 -22.611 3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.899 -21.523 3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.534 -22.945 4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.461 -20.855 4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.520 -20.456 6.019 1.00 0.00 H new