USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 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 58 ASN : amide:sc= 0 X(o=-2.7,f=-2.7) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -2.67! C(o=-4.6!,f=-2.7!) USER MOD Set 2.1: A 51 THR OG1 : rot 97:sc= 1.3 USER MOD Set 2.2: A 52 HIS : no HD1:sc= 0.667 K(o=2,f=-5.5!) USER MOD Single : A 9 LYS NZ :NH3+ -142:sc= -0.215 (180deg=-1.39) USER MOD Single : A 14 GLN : amide:sc= -4.42! C(o=-4.4!,f=-6.8!) USER MOD Single : A 16 CYS SG : rot 48:sc= 0.824 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc=-0.00358 (180deg=-0.687) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 30 SER OG : rot 23:sc= 0.963 USER MOD Single : A 31 MET CE :methyl -140:sc= -1.28 (180deg=-4.48!) USER MOD Single : A 34 MET CE :methyl -143:sc= 0 (180deg=-0.0125) USER MOD Single : A 35 THR OG1 : rot -28:sc= 0.308 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.677 K(o=-0.68,f=-1.6) USER MOD Single : A 41 SER OG : rot -170:sc= -1.09 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -69:sc= 0.513 USER MOD Single : A 59 THR OG1 : rot -34:sc= 0.336 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -129:sc= 0.232 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= -1.85! (180deg=-3.75!) USER MOD Single : A 82 SER OG : rot 25:sc= 0.158 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 174:sc= -5.64! (180deg=-5.88!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 61:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 86 N LYS A 9 -2.511 18.706 -4.877 1.00 0.00 N ATOM 87 CA LYS A 9 -1.840 17.579 -4.241 1.00 0.00 C ATOM 88 C LYS A 9 -2.513 16.263 -4.616 1.00 0.00 C ATOM 89 O LYS A 9 -3.699 16.232 -4.945 1.00 0.00 O ATOM 90 CB LYS A 9 -1.842 17.749 -2.720 1.00 0.00 C ATOM 91 CG LYS A 9 -1.051 16.680 -1.987 1.00 0.00 C ATOM 92 CD LYS A 9 -0.555 17.178 -0.640 1.00 0.00 C ATOM 93 CE LYS A 9 -1.687 17.272 0.372 1.00 0.00 C ATOM 94 NZ LYS A 9 -2.458 18.537 0.225 1.00 0.00 N ATOM 0 HA LYS A 9 -0.810 17.555 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.431 18.727 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.872 17.736 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.676 15.799 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.202 16.372 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.216 16.505 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.092 18.157 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.357 16.422 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.279 17.211 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.725 18.892 1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.872 19.247 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.317 18.357 -0.334 1.00 0.00 H new ATOM 108 N VAL A 10 -1.749 15.176 -4.565 1.00 0.00 N ATOM 109 CA VAL A 10 -2.272 13.857 -4.897 1.00 0.00 C ATOM 110 C VAL A 10 -1.886 12.830 -3.839 1.00 0.00 C ATOM 111 O VAL A 10 -0.749 12.782 -3.370 1.00 0.00 O ATOM 112 CB VAL A 10 -1.762 13.380 -6.270 1.00 0.00 C ATOM 113 CG1 VAL A 10 -2.198 11.947 -6.533 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.252 14.307 -7.372 1.00 0.00 C ATOM 0 H VAL A 10 -0.765 15.184 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.358 13.947 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.672 13.407 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.829 11.627 -7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.792 11.295 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.286 11.890 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.882 13.955 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.342 14.315 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.884 15.316 -7.189 1.00 0.00 H new ATOM 124 N PRO A 11 -2.855 11.986 -3.452 1.00 0.00 N ATOM 125 CA PRO A 11 -2.640 10.943 -2.444 1.00 0.00 C ATOM 126 C PRO A 11 -1.734 9.826 -2.951 1.00 0.00 C ATOM 127 O PRO A 11 -1.613 9.589 -4.153 1.00 0.00 O ATOM 128 CB PRO A 11 -4.050 10.410 -2.180 1.00 0.00 C ATOM 129 CG PRO A 11 -4.807 10.704 -3.429 1.00 0.00 C ATOM 130 CD PRO A 11 -4.234 11.986 -3.968 1.00 0.00 C ATOM 0 HA PRO A 11 -2.143 11.331 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.036 9.341 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.503 10.900 -1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.699 9.894 -4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.872 10.808 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.255 12.009 -5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.794 12.854 -3.620 1.00 0.00 H new ATOM 138 N PRO A 12 -1.083 9.120 -2.015 1.00 0.00 N ATOM 139 CA PRO A 12 -0.177 8.015 -2.343 1.00 0.00 C ATOM 140 C PRO A 12 -0.920 6.798 -2.883 1.00 0.00 C ATOM 141 O PRO A 12 -0.304 5.812 -3.289 1.00 0.00 O ATOM 142 CB PRO A 12 0.483 7.687 -1.002 1.00 0.00 C ATOM 143 CG PRO A 12 -0.496 8.144 0.024 1.00 0.00 C ATOM 144 CD PRO A 12 -1.180 9.347 -0.563 1.00 0.00 C ATOM 0 HA PRO A 12 0.531 8.287 -3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.684 6.620 -0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.438 8.201 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.216 7.359 0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.007 8.398 0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.217 9.419 -0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.688 10.273 -0.267 1.00 0.00 H new ATOM 152 N PHE A 13 -2.247 6.873 -2.884 1.00 0.00 N ATOM 153 CA PHE A 13 -3.074 5.777 -3.374 1.00 0.00 C ATOM 154 C PHE A 13 -4.020 6.257 -4.471 1.00 0.00 C ATOM 155 O PHE A 13 -4.958 5.554 -4.847 1.00 0.00 O ATOM 156 CB PHE A 13 -3.877 5.163 -2.225 1.00 0.00 C ATOM 157 CG PHE A 13 -3.020 4.605 -1.125 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.880 3.875 -1.420 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.354 4.811 0.204 1.00 0.00 C ATOM 160 CE1 PHE A 13 -1.089 3.360 -0.411 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.566 4.299 1.217 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.433 3.571 0.910 1.00 0.00 C ATOM 0 H PHE A 13 -2.772 7.681 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.415 5.017 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.539 5.922 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.511 4.369 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.606 3.706 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.240 5.378 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.203 2.793 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.836 4.468 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.818 3.168 1.701 1.00 0.00 H new ATOM 172 N GLN A 14 -3.766 7.458 -4.979 1.00 0.00 N ATOM 173 CA GLN A 14 -4.595 8.033 -6.032 1.00 0.00 C ATOM 174 C GLN A 14 -5.000 6.969 -7.047 1.00 0.00 C ATOM 175 O GLN A 14 -4.166 6.466 -7.800 1.00 0.00 O ATOM 176 CB GLN A 14 -3.849 9.168 -6.735 1.00 0.00 C ATOM 177 CG GLN A 14 -4.623 9.781 -7.891 1.00 0.00 C ATOM 178 CD GLN A 14 -4.496 8.977 -9.170 1.00 0.00 C ATOM 179 OE1 GLN A 14 -5.496 8.581 -9.770 1.00 0.00 O ATOM 180 NE2 GLN A 14 -3.263 8.732 -9.595 1.00 0.00 N ATOM 0 H GLN A 14 -2.993 8.052 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.498 8.433 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.621 9.947 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.896 8.790 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.675 9.858 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.264 10.795 -8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.463 9.079 -9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.115 8.196 -10.450 1.00 0.00 H new ATOM 189 N ASP A 15 -6.285 6.632 -7.062 1.00 0.00 N ATOM 190 CA ASP A 15 -6.801 5.628 -7.985 1.00 0.00 C ATOM 191 C ASP A 15 -6.040 4.314 -7.841 1.00 0.00 C ATOM 192 O ASP A 15 -5.705 3.667 -8.834 1.00 0.00 O ATOM 193 CB ASP A 15 -6.705 6.132 -9.426 1.00 0.00 C ATOM 194 CG ASP A 15 -7.400 5.211 -10.409 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.636 5.057 -10.307 1.00 0.00 O ATOM 196 OD2 ASP A 15 -6.709 4.645 -11.281 1.00 0.00 O ATOM 0 H ASP A 15 -6.988 7.039 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.848 5.449 -7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.146 7.127 -9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.656 6.230 -9.704 1.00 0.00 H new ATOM 201 N CYS A 16 -5.768 3.927 -6.600 1.00 0.00 N ATOM 202 CA CYS A 16 -5.044 2.691 -6.326 1.00 0.00 C ATOM 203 C CYS A 16 -5.694 1.922 -5.180 1.00 0.00 C ATOM 204 O CYS A 16 -5.602 2.324 -4.020 1.00 0.00 O ATOM 205 CB CYS A 16 -3.584 2.995 -5.989 1.00 0.00 C ATOM 206 SG CYS A 16 -2.772 4.107 -7.160 1.00 0.00 S ATOM 0 H CYS A 16 -6.038 4.451 -5.768 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.081 2.071 -7.222 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.536 3.436 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.029 2.058 -5.950 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.534 5.137 -7.380 1.00 0.00 H new ATOM 212 N ILE A 17 -6.353 0.817 -5.514 1.00 0.00 N ATOM 213 CA ILE A 17 -7.019 -0.006 -4.512 1.00 0.00 C ATOM 214 C ILE A 17 -6.023 -0.913 -3.796 1.00 0.00 C ATOM 215 O ILE A 17 -5.085 -1.427 -4.406 1.00 0.00 O ATOM 216 CB ILE A 17 -8.125 -0.874 -5.142 1.00 0.00 C ATOM 217 CG1 ILE A 17 -9.024 -0.020 -6.038 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.943 -1.558 -4.057 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.626 -0.786 -7.196 1.00 0.00 C ATOM 0 H ILE A 17 -6.440 0.472 -6.470 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.470 0.676 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.658 -1.644 -5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.828 0.403 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.445 0.817 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.720 -2.168 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.292 -2.193 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.404 -0.804 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.251 -0.118 -7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.828 -1.186 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.233 -1.607 -6.813 1.00 0.00 H new ATOM 231 N LEU A 18 -6.235 -1.105 -2.499 1.00 0.00 N ATOM 232 CA LEU A 18 -5.357 -1.952 -1.698 1.00 0.00 C ATOM 233 C LEU A 18 -6.142 -3.085 -1.044 1.00 0.00 C ATOM 234 O LEU A 18 -7.301 -2.913 -0.666 1.00 0.00 O ATOM 235 CB LEU A 18 -4.652 -1.119 -0.625 1.00 0.00 C ATOM 236 CG LEU A 18 -3.600 -0.130 -1.128 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.420 -0.869 -1.739 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.211 0.831 -2.138 1.00 0.00 C ATOM 0 H LEU A 18 -7.006 -0.686 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.609 -2.388 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.408 -0.564 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.174 -1.800 0.080 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.238 0.449 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.682 -0.148 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.966 -1.515 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.764 -1.475 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.448 1.528 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.601 0.268 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.022 1.386 -1.667 1.00 0.00 H new ATOM 250 N SER A 19 -5.502 -4.242 -0.912 1.00 0.00 N ATOM 251 CA SER A 19 -6.140 -5.404 -0.305 1.00 0.00 C ATOM 252 C SER A 19 -5.266 -5.989 0.800 1.00 0.00 C ATOM 253 O SER A 19 -4.052 -6.126 0.640 1.00 0.00 O ATOM 254 CB SER A 19 -6.422 -6.470 -1.366 1.00 0.00 C ATOM 255 OG SER A 19 -6.638 -5.880 -2.636 1.00 0.00 O ATOM 0 H SER A 19 -4.542 -4.400 -1.217 1.00 0.00 H new ATOM 0 HA SER A 19 -7.083 -5.081 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.583 -7.163 -1.422 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.298 -7.052 -1.078 1.00 0.00 H new ATOM 0 HG SER A 19 -6.814 -6.582 -3.297 1.00 0.00 H new ATOM 261 N PHE A 20 -5.891 -6.332 1.921 1.00 0.00 N ATOM 262 CA PHE A 20 -5.171 -6.901 3.055 1.00 0.00 C ATOM 263 C PHE A 20 -5.647 -8.322 3.343 1.00 0.00 C ATOM 264 O PHE A 20 -6.838 -8.561 3.543 1.00 0.00 O ATOM 265 CB PHE A 20 -5.357 -6.027 4.296 1.00 0.00 C ATOM 266 CG PHE A 20 -5.256 -4.555 4.014 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.071 -4.005 3.551 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.345 -3.722 4.211 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.975 -2.651 3.290 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.255 -2.367 3.951 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.068 -1.831 3.491 1.00 0.00 C ATOM 0 H PHE A 20 -6.895 -6.226 2.069 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.112 -6.936 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.331 -6.238 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.606 -6.299 5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.213 -4.641 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.275 -4.136 4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.046 -2.235 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.112 -1.728 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.995 -0.773 3.289 1.00 0.00 H new ATOM 281 N LEU A 21 -4.708 -9.261 3.362 1.00 0.00 N ATOM 282 CA LEU A 21 -5.030 -10.660 3.626 1.00 0.00 C ATOM 283 C LEU A 21 -4.122 -11.233 4.709 1.00 0.00 C ATOM 284 O LEU A 21 -2.903 -11.283 4.550 1.00 0.00 O ATOM 285 CB LEU A 21 -4.896 -11.484 2.344 1.00 0.00 C ATOM 286 CG LEU A 21 -4.575 -12.967 2.531 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.803 -13.724 3.011 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.050 -13.567 1.234 1.00 0.00 C ATOM 0 H LEU A 21 -3.718 -9.080 3.198 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.060 -10.710 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.828 -11.402 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.114 -11.038 1.729 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.799 -13.057 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.554 -14.778 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.135 -13.312 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.601 -13.626 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.827 -14.623 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.804 -13.464 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.142 -13.044 0.932 1.00 0.00 H new ATOM 300 N GLY A 22 -4.726 -11.666 5.812 1.00 0.00 N ATOM 301 CA GLY A 22 -3.957 -12.232 6.905 1.00 0.00 C ATOM 302 C GLY A 22 -4.247 -11.554 8.230 1.00 0.00 C ATOM 303 O GLY A 22 -4.613 -12.211 9.204 1.00 0.00 O ATOM 0 H GLY A 22 -5.734 -11.635 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.179 -13.296 6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.894 -12.145 6.681 1.00 0.00 H new ATOM 307 N PHE A 23 -4.082 -10.236 8.267 1.00 0.00 N ATOM 308 CA PHE A 23 -4.326 -9.469 9.483 1.00 0.00 C ATOM 309 C PHE A 23 -5.707 -9.777 10.052 1.00 0.00 C ATOM 310 O PHE A 23 -6.597 -10.238 9.337 1.00 0.00 O ATOM 311 CB PHE A 23 -4.201 -7.970 9.199 1.00 0.00 C ATOM 312 CG PHE A 23 -3.153 -7.639 8.176 1.00 0.00 C ATOM 313 CD1 PHE A 23 -1.838 -7.425 8.557 1.00 0.00 C ATOM 314 CD2 PHE A 23 -3.482 -7.542 6.834 1.00 0.00 C ATOM 315 CE1 PHE A 23 -0.871 -7.119 7.618 1.00 0.00 C ATOM 316 CE2 PHE A 23 -2.519 -7.237 5.890 1.00 0.00 C ATOM 317 CZ PHE A 23 -1.212 -7.026 6.282 1.00 0.00 C ATOM 0 H PHE A 23 -3.780 -9.677 7.469 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.577 -9.756 10.221 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.164 -7.592 8.856 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.967 -7.451 10.128 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.566 -7.498 9.600 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.503 -7.707 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.150 -6.953 7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.789 -7.164 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.458 -6.789 5.546 1.00 0.00 H new ATOM 327 N SER A 24 -5.879 -9.519 11.345 1.00 0.00 N ATOM 328 CA SER A 24 -7.150 -9.773 12.012 1.00 0.00 C ATOM 329 C SER A 24 -8.171 -8.693 11.666 1.00 0.00 C ATOM 330 O SER A 24 -7.814 -7.537 11.435 1.00 0.00 O ATOM 331 CB SER A 24 -6.951 -9.835 13.528 1.00 0.00 C ATOM 332 OG SER A 24 -8.190 -9.988 14.199 1.00 0.00 O ATOM 0 H SER A 24 -5.154 -9.134 11.951 1.00 0.00 H new ATOM 0 HA SER A 24 -7.530 -10.733 11.662 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.293 -10.667 13.778 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.458 -8.925 13.871 1.00 0.00 H new ATOM 0 HG SER A 24 -8.036 -10.027 15.166 1.00 0.00 H new ATOM 338 N ASP A 25 -9.442 -9.078 11.632 1.00 0.00 N ATOM 339 CA ASP A 25 -10.516 -8.144 11.315 1.00 0.00 C ATOM 340 C ASP A 25 -10.199 -6.750 11.849 1.00 0.00 C ATOM 341 O ASP A 25 -10.429 -5.749 11.172 1.00 0.00 O ATOM 342 CB ASP A 25 -11.840 -8.639 11.898 1.00 0.00 C ATOM 343 CG ASP A 25 -12.981 -7.673 11.645 1.00 0.00 C ATOM 344 OD1 ASP A 25 -13.144 -6.725 12.441 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.712 -7.866 10.650 1.00 0.00 O ATOM 0 H ASP A 25 -9.754 -10.031 11.820 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.606 -8.086 10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.085 -9.608 11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.727 -8.790 12.972 1.00 0.00 H new ATOM 350 N GLU A 26 -9.672 -6.695 13.068 1.00 0.00 N ATOM 351 CA GLU A 26 -9.326 -5.424 13.694 1.00 0.00 C ATOM 352 C GLU A 26 -8.224 -4.715 12.912 1.00 0.00 C ATOM 353 O GLU A 26 -8.454 -3.668 12.308 1.00 0.00 O ATOM 354 CB GLU A 26 -8.878 -5.647 15.140 1.00 0.00 C ATOM 355 CG GLU A 26 -10.019 -5.984 16.085 1.00 0.00 C ATOM 356 CD GLU A 26 -9.570 -6.079 17.531 1.00 0.00 C ATOM 357 OE1 GLU A 26 -8.973 -5.104 18.033 1.00 0.00 O ATOM 358 OE2 GLU A 26 -9.817 -7.129 18.160 1.00 0.00 O ATOM 0 H GLU A 26 -9.475 -7.515 13.642 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.215 -4.793 13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.146 -6.455 15.164 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.374 -4.749 15.498 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.794 -5.223 15.998 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.467 -6.931 15.785 1.00 0.00 H new ATOM 365 N GLU A 27 -7.028 -5.294 12.930 1.00 0.00 N ATOM 366 CA GLU A 27 -5.890 -4.717 12.224 1.00 0.00 C ATOM 367 C GLU A 27 -6.271 -4.337 10.796 1.00 0.00 C ATOM 368 O GLU A 27 -5.874 -3.286 10.293 1.00 0.00 O ATOM 369 CB GLU A 27 -4.719 -5.701 12.207 1.00 0.00 C ATOM 370 CG GLU A 27 -4.106 -5.943 13.576 1.00 0.00 C ATOM 371 CD GLU A 27 -3.911 -4.661 14.362 1.00 0.00 C ATOM 372 OE1 GLU A 27 -3.149 -3.789 13.896 1.00 0.00 O ATOM 373 OE2 GLU A 27 -4.521 -4.531 15.444 1.00 0.00 O ATOM 0 H GLU A 27 -6.822 -6.162 13.425 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.587 -3.813 12.753 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.061 -6.652 11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.948 -5.324 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.747 -6.618 14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.144 -6.441 13.456 1.00 0.00 H new ATOM 380 N LYS A 28 -7.044 -5.201 10.147 1.00 0.00 N ATOM 381 CA LYS A 28 -7.481 -4.959 8.777 1.00 0.00 C ATOM 382 C LYS A 28 -8.406 -3.748 8.707 1.00 0.00 C ATOM 383 O LYS A 28 -8.273 -2.942 7.789 1.00 0.00 O ATOM 384 CB LYS A 28 -8.195 -6.193 8.222 1.00 0.00 C ATOM 385 CG LYS A 28 -8.327 -6.191 6.709 1.00 0.00 C ATOM 386 CD LYS A 28 -8.414 -7.603 6.155 1.00 0.00 C ATOM 387 CE LYS A 28 -9.848 -8.111 6.147 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.288 -8.549 7.501 1.00 0.00 N ATOM 0 H LYS A 28 -7.381 -6.076 10.548 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.598 -4.755 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.651 -7.086 8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.189 -6.257 8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.217 -5.631 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.472 -5.679 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.014 -7.623 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.794 -8.269 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.510 -7.324 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.934 -8.944 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.040 -9.262 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.481 -8.961 8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.651 -7.730 8.030 1.00 0.00 H new ATOM 402 N HIS A 29 -9.313 -3.648 9.669 1.00 0.00 N ATOM 403 CA HIS A 29 -10.246 -2.535 9.704 1.00 0.00 C ATOM 404 C HIS A 29 -9.474 -1.216 9.655 1.00 0.00 C ATOM 405 O HIS A 29 -9.653 -0.388 8.761 1.00 0.00 O ATOM 406 CB HIS A 29 -11.168 -2.638 10.921 1.00 0.00 C ATOM 407 CG HIS A 29 -12.494 -1.935 10.748 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.477 -2.390 9.886 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.988 -0.808 11.335 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.511 -1.566 9.959 1.00 0.00 C ATOM 411 NE2 HIS A 29 -14.206 -0.585 10.857 1.00 0.00 N ATOM 0 H HIS A 29 -9.421 -4.319 10.429 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.892 -2.570 8.827 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.352 -3.691 11.137 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.657 -2.219 11.788 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.475 -0.200 12.065 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.434 -1.655 9.405 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.814 0.192 11.118 1.00 0.00 H new ATOM 419 N SER A 30 -8.604 -1.037 10.643 1.00 0.00 N ATOM 420 CA SER A 30 -7.793 0.171 10.739 1.00 0.00 C ATOM 421 C SER A 30 -7.121 0.482 9.405 1.00 0.00 C ATOM 422 O SER A 30 -6.928 1.644 9.051 1.00 0.00 O ATOM 423 CB SER A 30 -6.735 0.016 11.833 1.00 0.00 C ATOM 424 OG SER A 30 -6.110 -1.254 11.760 1.00 0.00 O ATOM 0 H SER A 30 -8.442 -1.714 11.389 1.00 0.00 H new ATOM 0 HA SER A 30 -8.451 1.001 10.996 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.985 0.801 11.732 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.198 0.142 12.812 1.00 0.00 H new ATOM 0 HG SER A 30 -6.197 -1.610 10.851 1.00 0.00 H new ATOM 430 N MET A 31 -6.766 -0.567 8.671 1.00 0.00 N ATOM 431 CA MET A 31 -6.115 -0.408 7.375 1.00 0.00 C ATOM 432 C MET A 31 -7.114 0.056 6.319 1.00 0.00 C ATOM 433 O MET A 31 -6.900 1.068 5.653 1.00 0.00 O ATOM 434 CB MET A 31 -5.469 -1.724 6.939 1.00 0.00 C ATOM 435 CG MET A 31 -4.354 -2.189 7.863 1.00 0.00 C ATOM 436 SD MET A 31 -3.914 -3.918 7.605 1.00 0.00 S ATOM 437 CE MET A 31 -2.488 -3.749 6.535 1.00 0.00 C ATOM 0 H MET A 31 -6.918 -1.536 8.951 1.00 0.00 H new ATOM 0 HA MET A 31 -5.340 0.352 7.476 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.236 -2.497 6.890 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.070 -1.607 5.931 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.473 -1.567 7.705 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.663 -2.047 8.899 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.518 -4.519 5.764 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.500 -2.765 6.066 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.577 -3.859 7.123 1.00 0.00 H new ATOM 447 N GLU A 32 -8.203 -0.692 6.173 1.00 0.00 N ATOM 448 CA GLU A 32 -9.233 -0.357 5.196 1.00 0.00 C ATOM 449 C GLU A 32 -9.571 1.130 5.251 1.00 0.00 C ATOM 450 O GLU A 32 -9.394 1.853 4.270 1.00 0.00 O ATOM 451 CB GLU A 32 -10.494 -1.187 5.446 1.00 0.00 C ATOM 452 CG GLU A 32 -10.355 -2.644 5.038 1.00 0.00 C ATOM 453 CD GLU A 32 -10.345 -2.829 3.533 1.00 0.00 C ATOM 454 OE1 GLU A 32 -11.401 -2.610 2.902 1.00 0.00 O ATOM 455 OE2 GLU A 32 -9.284 -3.193 2.986 1.00 0.00 O ATOM 0 H GLU A 32 -8.395 -1.533 6.718 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.846 -0.588 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.747 -1.138 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.325 -0.743 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.433 -3.048 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.178 -3.217 5.466 1.00 0.00 H new ATOM 462 N GLU A 33 -10.058 1.579 6.403 1.00 0.00 N ATOM 463 CA GLU A 33 -10.422 2.979 6.585 1.00 0.00 C ATOM 464 C GLU A 33 -9.281 3.898 6.157 1.00 0.00 C ATOM 465 O GLU A 33 -9.489 4.862 5.421 1.00 0.00 O ATOM 466 CB GLU A 33 -10.788 3.249 8.046 1.00 0.00 C ATOM 467 CG GLU A 33 -12.149 2.702 8.443 1.00 0.00 C ATOM 468 CD GLU A 33 -13.283 3.644 8.089 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.398 4.015 6.902 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.055 4.010 8.999 1.00 0.00 O ATOM 0 H GLU A 33 -10.210 0.994 7.224 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.288 3.187 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.027 2.809 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.772 4.324 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.310 1.744 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.161 2.512 9.516 1.00 0.00 H new ATOM 477 N MET A 34 -8.075 3.591 6.624 1.00 0.00 N ATOM 478 CA MET A 34 -6.901 4.388 6.289 1.00 0.00 C ATOM 479 C MET A 34 -6.817 4.628 4.785 1.00 0.00 C ATOM 480 O MET A 34 -6.885 5.768 4.323 1.00 0.00 O ATOM 481 CB MET A 34 -5.629 3.692 6.778 1.00 0.00 C ATOM 482 CG MET A 34 -4.412 4.601 6.807 1.00 0.00 C ATOM 483 SD MET A 34 -4.338 5.616 8.296 1.00 0.00 S ATOM 484 CE MET A 34 -3.690 4.437 9.478 1.00 0.00 C ATOM 0 H MET A 34 -7.885 2.797 7.235 1.00 0.00 H new ATOM 0 HA MET A 34 -6.994 5.353 6.788 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.802 3.298 7.780 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.420 2.839 6.132 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.509 3.995 6.740 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.426 5.249 5.931 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.158 4.601 10.449 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.906 3.424 9.137 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.612 4.567 9.568 1.00 0.00 H new ATOM 494 N THR A 35 -6.670 3.547 4.025 1.00 0.00 N ATOM 495 CA THR A 35 -6.576 3.641 2.574 1.00 0.00 C ATOM 496 C THR A 35 -7.456 4.763 2.037 1.00 0.00 C ATOM 497 O THR A 35 -7.049 5.513 1.150 1.00 0.00 O ATOM 498 CB THR A 35 -6.981 2.318 1.898 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.432 1.210 2.620 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.501 2.277 0.455 1.00 0.00 C ATOM 0 H THR A 35 -6.614 2.597 4.391 1.00 0.00 H new ATOM 0 HA THR A 35 -5.534 3.857 2.339 1.00 0.00 H new ATOM 0 HB THR A 35 -8.069 2.252 1.904 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.608 1.490 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.799 1.333 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.945 3.104 -0.100 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.415 2.365 0.430 1.00 0.00 H new ATOM 508 N GLU A 36 -8.664 4.873 2.581 1.00 0.00 N ATOM 509 CA GLU A 36 -9.602 5.906 2.155 1.00 0.00 C ATOM 510 C GLU A 36 -9.166 7.278 2.660 1.00 0.00 C ATOM 511 O GLU A 36 -9.194 8.261 1.919 1.00 0.00 O ATOM 512 CB GLU A 36 -11.010 5.587 2.661 1.00 0.00 C ATOM 513 CG GLU A 36 -11.821 4.728 1.705 1.00 0.00 C ATOM 514 CD GLU A 36 -12.534 5.546 0.647 1.00 0.00 C ATOM 515 OE1 GLU A 36 -11.870 5.975 -0.320 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.757 5.757 0.785 1.00 0.00 O ATOM 0 H GLU A 36 -9.016 4.260 3.317 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.612 5.926 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.935 5.076 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.543 6.521 2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.161 4.009 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.555 4.155 2.271 1.00 0.00 H new ATOM 523 N MET A 37 -8.765 7.337 3.925 1.00 0.00 N ATOM 524 CA MET A 37 -8.323 8.588 4.530 1.00 0.00 C ATOM 525 C MET A 37 -7.184 9.207 3.726 1.00 0.00 C ATOM 526 O MET A 37 -7.173 10.412 3.476 1.00 0.00 O ATOM 527 CB MET A 37 -7.875 8.352 5.973 1.00 0.00 C ATOM 528 CG MET A 37 -9.028 8.252 6.959 1.00 0.00 C ATOM 529 SD MET A 37 -8.495 8.433 8.672 1.00 0.00 S ATOM 530 CE MET A 37 -9.435 7.127 9.459 1.00 0.00 C ATOM 0 H MET A 37 -8.737 6.533 4.552 1.00 0.00 H new ATOM 0 HA MET A 37 -9.164 9.281 4.528 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.289 7.434 6.017 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.216 9.165 6.278 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.765 9.021 6.729 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.523 7.289 6.837 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.213 7.111 10.526 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.500 7.306 9.313 1.00 0.00 H new ATOM 0 HE3 MET A 37 -9.165 6.168 9.018 1.00 0.00 H new ATOM 540 N GLN A 38 -6.228 8.375 3.326 1.00 0.00 N ATOM 541 CA GLN A 38 -5.084 8.843 2.551 1.00 0.00 C ATOM 542 C GLN A 38 -5.522 9.333 1.175 1.00 0.00 C ATOM 543 O GLN A 38 -5.089 10.388 0.714 1.00 0.00 O ATOM 544 CB GLN A 38 -4.051 7.725 2.403 1.00 0.00 C ATOM 545 CG GLN A 38 -3.495 7.230 3.728 1.00 0.00 C ATOM 546 CD GLN A 38 -3.082 8.362 4.647 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.552 9.379 4.199 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.323 8.192 5.942 1.00 0.00 N ATOM 0 H GLN A 38 -6.222 7.375 3.525 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.631 9.678 3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.507 6.888 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.228 8.082 1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.246 6.618 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.635 6.588 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.764 7.333 6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.067 8.920 6.608 1.00 0.00 H new ATOM 557 N GLY A 39 -6.384 8.558 0.523 1.00 0.00 N ATOM 558 CA GLY A 39 -6.866 8.930 -0.795 1.00 0.00 C ATOM 559 C GLY A 39 -6.897 7.756 -1.753 1.00 0.00 C ATOM 560 O GLY A 39 -6.500 7.880 -2.910 1.00 0.00 O ATOM 0 H GLY A 39 -6.757 7.680 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.868 9.350 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.227 9.713 -1.205 1.00 0.00 H new ATOM 564 N GLY A 40 -7.371 6.612 -1.269 1.00 0.00 N ATOM 565 CA GLY A 40 -7.442 5.427 -2.104 1.00 0.00 C ATOM 566 C GLY A 40 -8.686 4.603 -1.836 1.00 0.00 C ATOM 567 O GLY A 40 -9.647 5.092 -1.241 1.00 0.00 O ATOM 0 H GLY A 40 -7.707 6.485 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.425 5.724 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.559 4.812 -1.933 1.00 0.00 H new ATOM 571 N SER A 41 -8.670 3.349 -2.276 1.00 0.00 N ATOM 572 CA SER A 41 -9.807 2.456 -2.085 1.00 0.00 C ATOM 573 C SER A 41 -9.346 1.082 -1.609 1.00 0.00 C ATOM 574 O SER A 41 -8.163 0.751 -1.687 1.00 0.00 O ATOM 575 CB SER A 41 -10.598 2.318 -3.387 1.00 0.00 C ATOM 576 OG SER A 41 -9.747 2.424 -4.515 1.00 0.00 O ATOM 0 H SER A 41 -7.882 2.928 -2.768 1.00 0.00 H new ATOM 0 HA SER A 41 -10.452 2.888 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.111 1.357 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.366 3.090 -3.433 1.00 0.00 H new ATOM 0 HG SER A 41 -10.289 2.491 -5.329 1.00 0.00 H new ATOM 582 N TYR A 42 -10.289 0.287 -1.115 1.00 0.00 N ATOM 583 CA TYR A 42 -9.980 -1.050 -0.623 1.00 0.00 C ATOM 584 C TYR A 42 -10.993 -2.067 -1.139 1.00 0.00 C ATOM 585 O TYR A 42 -12.192 -1.790 -1.203 1.00 0.00 O ATOM 586 CB TYR A 42 -9.961 -1.062 0.906 1.00 0.00 C ATOM 587 CG TYR A 42 -11.082 -0.263 1.532 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.391 -0.727 1.506 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.831 0.956 2.149 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.418 0.001 2.076 1.00 0.00 C ATOM 591 CE2 TYR A 42 -11.851 1.690 2.723 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.143 1.208 2.683 1.00 0.00 C ATOM 593 OH TYR A 42 -14.163 1.935 3.253 1.00 0.00 O ATOM 0 H TYR A 42 -11.273 0.545 -1.045 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.993 -1.327 -0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -10.023 -2.093 1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.006 -0.666 1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.610 -1.673 1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.821 1.337 2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.431 -0.373 2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.638 2.635 3.200 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.801 2.760 3.639 1.00 0.00 H new ATOM 603 N LEU A 43 -10.504 -3.247 -1.505 1.00 0.00 N ATOM 604 CA LEU A 43 -11.365 -4.308 -2.014 1.00 0.00 C ATOM 605 C LEU A 43 -10.966 -5.660 -1.433 1.00 0.00 C ATOM 606 O LEU A 43 -9.843 -5.857 -0.968 1.00 0.00 O ATOM 607 CB LEU A 43 -11.298 -4.357 -3.542 1.00 0.00 C ATOM 608 CG LEU A 43 -12.209 -3.380 -4.286 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.849 -3.334 -5.763 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.669 -3.768 -4.103 1.00 0.00 C ATOM 0 H LEU A 43 -9.515 -3.493 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.388 -4.090 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.269 -4.167 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.544 -5.369 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.063 -2.385 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.508 -2.634 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.815 -3.009 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.966 -4.327 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.303 -3.062 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.831 -4.772 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.920 -3.749 -3.043 1.00 0.00 H new ATOM 622 N PRO A 44 -11.906 -6.617 -1.459 1.00 0.00 N ATOM 623 CA PRO A 44 -11.674 -7.969 -0.941 1.00 0.00 C ATOM 624 C PRO A 44 -10.702 -8.763 -1.807 1.00 0.00 C ATOM 625 O PRO A 44 -10.906 -8.911 -3.011 1.00 0.00 O ATOM 626 CB PRO A 44 -13.065 -8.606 -0.978 1.00 0.00 C ATOM 627 CG PRO A 44 -13.796 -7.860 -2.041 1.00 0.00 C ATOM 628 CD PRO A 44 -13.266 -6.453 -1.998 1.00 0.00 C ATOM 0 HA PRO A 44 -11.223 -7.953 0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.007 -9.670 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.567 -8.516 -0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.629 -8.310 -3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.871 -7.878 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.254 -5.998 -2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.876 -5.813 -1.361 1.00 0.00 H new ATOM 636 N VAL A 45 -9.643 -9.272 -1.185 1.00 0.00 N ATOM 637 CA VAL A 45 -8.639 -10.052 -1.898 1.00 0.00 C ATOM 638 C VAL A 45 -9.291 -11.024 -2.875 1.00 0.00 C ATOM 639 O VAL A 45 -10.194 -11.776 -2.510 1.00 0.00 O ATOM 640 CB VAL A 45 -7.746 -10.843 -0.924 1.00 0.00 C ATOM 641 CG1 VAL A 45 -6.728 -11.676 -1.688 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.053 -9.900 0.048 1.00 0.00 C ATOM 0 H VAL A 45 -9.458 -9.158 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.022 -9.344 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.377 -11.521 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.106 -12.228 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.248 -12.378 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.099 -11.020 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.426 -10.476 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.434 -9.196 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.802 -9.352 0.620 1.00 0.00 H new ATOM 652 N GLY A 46 -8.827 -11.004 -4.121 1.00 0.00 N ATOM 653 CA GLY A 46 -9.376 -11.889 -5.132 1.00 0.00 C ATOM 654 C GLY A 46 -9.930 -11.133 -6.324 1.00 0.00 C ATOM 655 O GLY A 46 -9.826 -11.593 -7.461 1.00 0.00 O ATOM 0 H GLY A 46 -8.081 -10.391 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.600 -12.576 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.167 -12.495 -4.690 1.00 0.00 H new ATOM 659 N ASP A 47 -10.522 -9.973 -6.063 1.00 0.00 N ATOM 660 CA ASP A 47 -11.096 -9.152 -7.124 1.00 0.00 C ATOM 661 C ASP A 47 -10.000 -8.460 -7.928 1.00 0.00 C ATOM 662 O ASP A 47 -9.345 -7.541 -7.440 1.00 0.00 O ATOM 663 CB ASP A 47 -12.047 -8.110 -6.533 1.00 0.00 C ATOM 664 CG ASP A 47 -13.089 -7.646 -7.532 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.943 -7.961 -8.732 1.00 0.00 O ATOM 666 OD2 ASP A 47 -14.050 -6.968 -7.114 1.00 0.00 O ATOM 0 H ASP A 47 -10.617 -9.580 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.656 -9.805 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.546 -8.531 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.471 -7.251 -6.187 1.00 0.00 H new ATOM 671 N GLU A 48 -9.806 -8.911 -9.164 1.00 0.00 N ATOM 672 CA GLU A 48 -8.788 -8.336 -10.036 1.00 0.00 C ATOM 673 C GLU A 48 -8.769 -6.814 -9.920 1.00 0.00 C ATOM 674 O GLU A 48 -7.704 -6.197 -9.885 1.00 0.00 O ATOM 675 CB GLU A 48 -9.039 -8.744 -11.489 1.00 0.00 C ATOM 676 CG GLU A 48 -10.158 -7.963 -12.156 1.00 0.00 C ATOM 677 CD GLU A 48 -9.758 -6.539 -12.489 1.00 0.00 C ATOM 678 OE1 GLU A 48 -8.546 -6.285 -12.653 1.00 0.00 O ATOM 679 OE2 GLU A 48 -10.658 -5.678 -12.585 1.00 0.00 O ATOM 0 H GLU A 48 -10.340 -9.672 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.818 -8.720 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.121 -8.606 -12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.279 -9.807 -11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.459 -8.475 -13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.027 -7.948 -11.499 1.00 0.00 H new ATOM 686 N ARG A 49 -9.955 -6.216 -9.860 1.00 0.00 N ATOM 687 CA ARG A 49 -10.075 -4.767 -9.750 1.00 0.00 C ATOM 688 C ARG A 49 -8.960 -4.194 -8.881 1.00 0.00 C ATOM 689 O ARG A 49 -8.440 -3.112 -9.155 1.00 0.00 O ATOM 690 CB ARG A 49 -11.437 -4.391 -9.165 1.00 0.00 C ATOM 691 CG ARG A 49 -12.586 -4.548 -10.148 1.00 0.00 C ATOM 692 CD ARG A 49 -13.930 -4.309 -9.476 1.00 0.00 C ATOM 693 NE ARG A 49 -15.035 -4.869 -10.249 1.00 0.00 N ATOM 694 CZ ARG A 49 -15.529 -4.301 -11.344 1.00 0.00 C ATOM 695 NH1 ARG A 49 -15.017 -3.162 -11.792 1.00 0.00 N ATOM 696 NH2 ARG A 49 -16.536 -4.871 -11.993 1.00 0.00 N ATOM 0 H ARG A 49 -10.846 -6.712 -9.886 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.987 -4.342 -10.750 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.631 -5.011 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.403 -3.357 -8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.460 -3.846 -10.972 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.565 -5.550 -10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.922 -4.753 -8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.085 -3.238 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.451 -5.744 -9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.243 -2.721 -11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.398 -2.728 -12.633 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.932 -5.747 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.914 -4.434 -12.833 1.00 0.00 H new ATOM 710 N CYS A 50 -8.599 -4.925 -7.832 1.00 0.00 N ATOM 711 CA CYS A 50 -7.546 -4.489 -6.922 1.00 0.00 C ATOM 712 C CYS A 50 -6.211 -4.373 -7.649 1.00 0.00 C ATOM 713 O CYS A 50 -5.735 -5.335 -8.254 1.00 0.00 O ATOM 714 CB CYS A 50 -7.420 -5.464 -5.750 1.00 0.00 C ATOM 715 SG CYS A 50 -6.858 -7.117 -6.223 1.00 0.00 S ATOM 0 H CYS A 50 -9.020 -5.822 -7.591 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.816 -3.505 -6.539 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.724 -5.050 -5.020 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.388 -5.548 -5.256 1.00 0.00 H new ATOM 0 HG CYS A 50 -7.787 -7.711 -6.912 1.00 0.00 H new ATOM 721 N THR A 51 -5.610 -3.189 -7.589 1.00 0.00 N ATOM 722 CA THR A 51 -4.331 -2.946 -8.244 1.00 0.00 C ATOM 723 C THR A 51 -3.171 -3.432 -7.383 1.00 0.00 C ATOM 724 O THR A 51 -2.216 -3.990 -7.920 1.00 0.00 O ATOM 725 CB THR A 51 -4.134 -1.450 -8.554 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.216 -0.685 -7.346 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.180 -0.960 -9.543 1.00 0.00 C ATOM 0 H THR A 51 -5.989 -2.383 -7.093 1.00 0.00 H new ATOM 0 HA THR A 51 -4.344 -3.505 -9.180 1.00 0.00 H new ATOM 0 HB THR A 51 -3.148 -1.320 -8.999 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.313 -0.504 -7.011 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.021 0.099 -9.746 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.096 -1.525 -10.472 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.175 -1.103 -9.121 1.00 0.00 H new ATOM 735 N HIS A 52 -3.277 -3.214 -6.080 1.00 0.00 N ATOM 736 CA HIS A 52 -2.232 -3.635 -5.163 1.00 0.00 C ATOM 737 C HIS A 52 -2.807 -4.627 -4.150 1.00 0.00 C ATOM 738 O HIS A 52 -3.868 -4.417 -3.560 1.00 0.00 O ATOM 739 CB HIS A 52 -1.572 -2.425 -4.499 1.00 0.00 C ATOM 740 CG HIS A 52 -0.839 -1.521 -5.461 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.487 -0.774 -6.430 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.491 -1.250 -5.593 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.578 -0.090 -7.108 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.648 -0.387 -6.588 1.00 0.00 N ATOM 0 H HIS A 52 -4.071 -2.751 -5.638 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.444 -4.148 -5.715 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.337 -1.845 -3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.872 -2.776 -3.741 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.283 -1.668 -4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.773 0.585 -7.929 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.538 -0.008 -6.911 1.00 0.00 H new ATOM 752 N LEU A 53 -2.078 -5.721 -3.960 1.00 0.00 N ATOM 753 CA LEU A 53 -2.492 -6.762 -3.025 1.00 0.00 C ATOM 754 C LEU A 53 -1.475 -6.917 -1.898 1.00 0.00 C ATOM 755 O LEU A 53 -0.392 -7.468 -2.098 1.00 0.00 O ATOM 756 CB LEU A 53 -2.664 -8.094 -3.759 1.00 0.00 C ATOM 757 CG LEU A 53 -2.792 -9.335 -2.875 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.955 -9.183 -1.907 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.967 -10.582 -3.729 1.00 0.00 C ATOM 0 H LEU A 53 -1.198 -5.910 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.447 -6.467 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.552 -8.027 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.812 -8.232 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.875 -9.441 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.031 -10.076 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.789 -8.313 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.880 -9.052 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.056 -11.456 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.868 -10.485 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.102 -10.700 -4.382 1.00 0.00 H new ATOM 771 N ILE A 54 -1.833 -6.430 -0.715 1.00 0.00 N ATOM 772 CA ILE A 54 -0.953 -6.517 0.444 1.00 0.00 C ATOM 773 C ILE A 54 -1.282 -7.741 1.292 1.00 0.00 C ATOM 774 O ILE A 54 -2.390 -7.870 1.813 1.00 0.00 O ATOM 775 CB ILE A 54 -1.053 -5.256 1.323 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.567 -4.029 0.548 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.247 -5.436 2.600 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.657 -3.348 -0.250 1.00 0.00 C ATOM 0 H ILE A 54 -2.726 -5.971 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 54 0.064 -6.604 0.062 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.097 -5.101 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.139 -3.312 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.233 -4.330 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.327 -4.537 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.634 -6.289 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.799 -5.611 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.241 -2.487 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.069 -4.049 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.447 -3.016 0.423 1.00 0.00 H new ATOM 790 N VAL A 55 -0.310 -8.639 1.427 1.00 0.00 N ATOM 791 CA VAL A 55 -0.495 -9.852 2.215 1.00 0.00 C ATOM 792 C VAL A 55 0.580 -9.978 3.289 1.00 0.00 C ATOM 793 O VAL A 55 1.757 -9.727 3.036 1.00 0.00 O ATOM 794 CB VAL A 55 -0.465 -11.109 1.325 1.00 0.00 C ATOM 795 CG1 VAL A 55 0.774 -11.109 0.442 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.521 -12.367 2.178 1.00 0.00 C ATOM 0 H VAL A 55 0.612 -8.549 1.001 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.473 -9.775 2.690 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.343 -11.096 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.778 -12.004 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.766 -10.225 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.667 -11.098 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.499 -13.245 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.337 -12.389 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.441 -12.369 2.763 1.00 0.00 H new ATOM 806 N GLU A 56 0.164 -10.368 4.490 1.00 0.00 N ATOM 807 CA GLU A 56 1.092 -10.527 5.604 1.00 0.00 C ATOM 808 C GLU A 56 1.987 -11.745 5.397 1.00 0.00 C ATOM 809 O GLU A 56 1.618 -12.866 5.746 1.00 0.00 O ATOM 810 CB GLU A 56 0.325 -10.663 6.921 1.00 0.00 C ATOM 811 CG GLU A 56 1.224 -10.793 8.139 1.00 0.00 C ATOM 812 CD GLU A 56 0.553 -10.315 9.413 1.00 0.00 C ATOM 813 OE1 GLU A 56 0.640 -9.106 9.711 1.00 0.00 O ATOM 814 OE2 GLU A 56 -0.058 -11.151 10.111 1.00 0.00 O ATOM 0 H GLU A 56 -0.808 -10.579 4.716 1.00 0.00 H new ATOM 0 HA GLU A 56 1.721 -9.638 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.320 -9.793 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.325 -11.536 6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.520 -11.835 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.136 -10.219 7.976 1.00 0.00 H new ATOM 821 N GLU A 57 3.166 -11.516 4.826 1.00 0.00 N ATOM 822 CA GLU A 57 4.113 -12.595 4.571 1.00 0.00 C ATOM 823 C GLU A 57 4.659 -13.160 5.879 1.00 0.00 C ATOM 824 O GLU A 57 5.431 -14.118 5.879 1.00 0.00 O ATOM 825 CB GLU A 57 5.266 -12.096 3.698 1.00 0.00 C ATOM 826 CG GLU A 57 5.960 -10.863 4.252 1.00 0.00 C ATOM 827 CD GLU A 57 7.426 -10.798 3.870 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.843 -11.567 2.980 1.00 0.00 O ATOM 829 OE2 GLU A 57 8.157 -9.976 4.463 1.00 0.00 O ATOM 0 H GLU A 57 3.488 -10.594 4.532 1.00 0.00 H new ATOM 0 HA GLU A 57 3.585 -13.390 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.998 -12.895 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.885 -11.871 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.453 -9.970 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.871 -10.858 5.338 1.00 0.00 H new ATOM 836 N ASN A 58 4.252 -12.559 6.992 1.00 0.00 N ATOM 837 CA ASN A 58 4.701 -13.001 8.307 1.00 0.00 C ATOM 838 C ASN A 58 3.979 -14.277 8.728 1.00 0.00 C ATOM 839 O ASN A 58 4.565 -15.156 9.361 1.00 0.00 O ATOM 840 CB ASN A 58 4.465 -11.902 9.345 1.00 0.00 C ATOM 841 CG ASN A 58 5.626 -10.930 9.433 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.750 -11.315 9.757 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.359 -9.662 9.143 1.00 0.00 N ATOM 0 H ASN A 58 3.612 -11.765 7.010 1.00 0.00 H new ATOM 0 HA ASN A 58 5.769 -13.212 8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.556 -11.356 9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.301 -12.358 10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.100 -8.962 9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.413 -9.388 8.879 1.00 0.00 H new ATOM 850 N THR A 59 2.702 -14.372 8.372 1.00 0.00 N ATOM 851 CA THR A 59 1.898 -15.540 8.713 1.00 0.00 C ATOM 852 C THR A 59 1.318 -16.191 7.463 1.00 0.00 C ATOM 853 O THR A 59 0.769 -17.292 7.522 1.00 0.00 O ATOM 854 CB THR A 59 0.748 -15.171 9.668 1.00 0.00 C ATOM 855 OG1 THR A 59 0.060 -16.355 10.087 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.232 -14.222 8.994 1.00 0.00 C ATOM 0 H THR A 59 2.202 -13.654 7.848 1.00 0.00 H new ATOM 0 HA THR A 59 2.561 -16.246 9.212 1.00 0.00 H new ATOM 0 HB THR A 59 1.174 -14.671 10.538 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.057 -17.008 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.036 -13.976 9.688 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.288 -13.310 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.651 -14.700 8.109 1.00 0.00 H new ATOM 864 N VAL A 60 1.442 -15.505 6.331 1.00 0.00 N ATOM 865 CA VAL A 60 0.931 -16.018 5.066 1.00 0.00 C ATOM 866 C VAL A 60 2.038 -16.682 4.254 1.00 0.00 C ATOM 867 O VAL A 60 2.886 -16.007 3.671 1.00 0.00 O ATOM 868 CB VAL A 60 0.293 -14.899 4.223 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.302 -15.466 2.943 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.765 -14.161 5.031 1.00 0.00 C ATOM 0 H VAL A 60 1.892 -14.592 6.265 1.00 0.00 H new ATOM 0 HA VAL A 60 0.169 -16.758 5.310 1.00 0.00 H new ATOM 0 HB VAL A 60 1.071 -14.187 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.748 -14.660 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.483 -15.945 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.068 -16.200 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.206 -13.373 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.543 -14.861 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.305 -13.720 5.915 1.00 0.00 H new ATOM 880 N LYS A 61 2.024 -18.010 4.221 1.00 0.00 N ATOM 881 CA LYS A 61 3.025 -18.768 3.479 1.00 0.00 C ATOM 882 C LYS A 61 2.681 -18.817 1.994 1.00 0.00 C ATOM 883 O LYS A 61 3.559 -18.697 1.140 1.00 0.00 O ATOM 884 CB LYS A 61 3.134 -20.190 4.035 1.00 0.00 C ATOM 885 CG LYS A 61 1.822 -20.955 4.009 1.00 0.00 C ATOM 886 CD LYS A 61 1.728 -21.939 5.163 1.00 0.00 C ATOM 887 CE LYS A 61 0.287 -22.343 5.435 1.00 0.00 C ATOM 888 NZ LYS A 61 0.080 -22.735 6.857 1.00 0.00 N ATOM 0 H LYS A 61 1.330 -18.584 4.700 1.00 0.00 H new ATOM 0 HA LYS A 61 3.985 -18.264 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.877 -20.741 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.497 -20.143 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.989 -20.253 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.731 -21.491 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.319 -22.826 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.157 -21.492 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.376 -21.514 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.014 -23.175 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.914 -23.003 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.694 -23.542 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.316 -21.933 7.476 1.00 0.00 H new ATOM 902 N ASP A 62 1.399 -18.991 1.694 1.00 0.00 N ATOM 903 CA ASP A 62 0.939 -19.052 0.312 1.00 0.00 C ATOM 904 C ASP A 62 -0.385 -18.311 0.146 1.00 0.00 C ATOM 905 O ASP A 62 -1.180 -18.222 1.083 1.00 0.00 O ATOM 906 CB ASP A 62 0.781 -20.507 -0.131 1.00 0.00 C ATOM 907 CG ASP A 62 -0.036 -21.326 0.848 1.00 0.00 C ATOM 908 OD1 ASP A 62 -0.941 -20.752 1.490 1.00 0.00 O ATOM 909 OD2 ASP A 62 0.228 -22.540 0.974 1.00 0.00 O ATOM 0 H ASP A 62 0.660 -19.092 2.389 1.00 0.00 H new ATOM 0 HA ASP A 62 1.687 -18.568 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.304 -20.535 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.767 -20.958 -0.243 1.00 0.00 H new ATOM 914 N LEU A 63 -0.613 -17.780 -1.050 1.00 0.00 N ATOM 915 CA LEU A 63 -1.840 -17.045 -1.338 1.00 0.00 C ATOM 916 C LEU A 63 -3.003 -18.001 -1.582 1.00 0.00 C ATOM 917 O LEU A 63 -2.843 -19.082 -2.150 1.00 0.00 O ATOM 918 CB LEU A 63 -1.643 -16.143 -2.558 1.00 0.00 C ATOM 919 CG LEU A 63 -0.721 -14.939 -2.361 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.170 -14.464 -3.696 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.460 -13.812 -1.655 1.00 0.00 C ATOM 0 H LEU A 63 0.035 -17.844 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.076 -16.428 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.247 -16.749 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.620 -15.779 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 63 0.117 -15.246 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.484 -13.607 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.396 -15.270 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.994 -14.175 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.789 -12.963 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.317 -13.507 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.804 -14.157 -0.680 1.00 0.00 H new ATOM 933 N PRO A 64 -4.204 -17.596 -1.144 1.00 0.00 N ATOM 934 CA PRO A 64 -5.419 -18.401 -1.305 1.00 0.00 C ATOM 935 C PRO A 64 -5.869 -18.486 -2.760 1.00 0.00 C ATOM 936 O PRO A 64 -6.835 -19.178 -3.082 1.00 0.00 O ATOM 937 CB PRO A 64 -6.457 -17.650 -0.467 1.00 0.00 C ATOM 938 CG PRO A 64 -5.971 -16.241 -0.437 1.00 0.00 C ATOM 939 CD PRO A 64 -4.470 -16.320 -0.458 1.00 0.00 C ATOM 0 HA PRO A 64 -5.267 -19.434 -0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.449 -17.717 -0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.530 -18.065 0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.344 -15.681 -1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.322 -15.726 0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.031 -15.478 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.053 -16.311 0.549 1.00 0.00 H new ATOM 947 N PHE A 65 -5.163 -17.778 -3.635 1.00 0.00 N ATOM 948 CA PHE A 65 -5.491 -17.773 -5.056 1.00 0.00 C ATOM 949 C PHE A 65 -4.270 -17.403 -5.894 1.00 0.00 C ATOM 950 O PHE A 65 -3.233 -17.013 -5.359 1.00 0.00 O ATOM 951 CB PHE A 65 -6.631 -16.792 -5.335 1.00 0.00 C ATOM 952 CG PHE A 65 -6.197 -15.354 -5.343 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.588 -14.794 -4.231 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.397 -14.562 -6.462 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.187 -13.472 -4.235 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.998 -13.239 -6.472 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.393 -12.693 -5.357 1.00 0.00 C ATOM 0 H PHE A 65 -4.360 -17.200 -3.385 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.810 -18.778 -5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.079 -17.033 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.407 -16.925 -4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.425 -15.398 -3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.870 -14.983 -7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.713 -13.048 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.159 -12.633 -7.351 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.082 -11.659 -5.362 1.00 0.00 H new ATOM 967 N GLU A 66 -4.404 -17.529 -7.211 1.00 0.00 N ATOM 968 CA GLU A 66 -3.312 -17.210 -8.123 1.00 0.00 C ATOM 969 C GLU A 66 -3.625 -15.952 -8.928 1.00 0.00 C ATOM 970 O GLU A 66 -4.213 -16.006 -10.008 1.00 0.00 O ATOM 971 CB GLU A 66 -3.049 -18.383 -9.070 1.00 0.00 C ATOM 972 CG GLU A 66 -2.016 -19.367 -8.549 1.00 0.00 C ATOM 973 CD GLU A 66 -0.606 -19.016 -8.982 1.00 0.00 C ATOM 974 OE1 GLU A 66 -0.311 -17.811 -9.127 1.00 0.00 O ATOM 975 OE2 GLU A 66 0.204 -19.947 -9.176 1.00 0.00 O ATOM 0 H GLU A 66 -5.257 -17.849 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.418 -17.026 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.985 -18.912 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.715 -17.994 -10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.062 -19.394 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.262 -20.368 -8.903 1.00 0.00 H new ATOM 982 N PRO A 67 -3.225 -14.791 -8.389 1.00 0.00 N ATOM 983 CA PRO A 67 -3.452 -13.497 -9.040 1.00 0.00 C ATOM 984 C PRO A 67 -2.603 -13.321 -10.293 1.00 0.00 C ATOM 985 O PRO A 67 -1.577 -13.982 -10.458 1.00 0.00 O ATOM 986 CB PRO A 67 -3.041 -12.484 -7.968 1.00 0.00 C ATOM 987 CG PRO A 67 -2.069 -13.216 -7.108 1.00 0.00 C ATOM 988 CD PRO A 67 -2.520 -14.651 -7.104 1.00 0.00 C ATOM 0 HA PRO A 67 -4.482 -13.386 -9.378 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.587 -11.599 -8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.902 -12.145 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.056 -13.126 -7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.057 -12.808 -6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.676 -15.337 -7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.177 -14.863 -6.260 1.00 0.00 H new ATOM 996 N SER A 68 -3.035 -12.425 -11.175 1.00 0.00 N ATOM 997 CA SER A 68 -2.315 -12.165 -12.416 1.00 0.00 C ATOM 998 C SER A 68 -1.121 -11.248 -12.170 1.00 0.00 C ATOM 999 O SER A 68 -1.134 -10.423 -11.256 1.00 0.00 O ATOM 1000 CB SER A 68 -3.250 -11.536 -13.451 1.00 0.00 C ATOM 1001 OG SER A 68 -4.277 -12.438 -13.825 1.00 0.00 O ATOM 0 H SER A 68 -3.880 -11.867 -11.053 1.00 0.00 H new ATOM 0 HA SER A 68 -1.947 -13.117 -12.799 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.691 -10.627 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.679 -11.245 -14.332 1.00 0.00 H new ATOM 0 HG SER A 68 -4.862 -12.012 -14.486 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.088 -11.400 -12.991 1.00 0.00 N ATOM 1008 CA LYS A 69 1.116 -10.586 -12.865 1.00 0.00 C ATOM 1009 C LYS A 69 0.761 -9.114 -12.680 1.00 0.00 C ATOM 1010 O LYS A 69 1.300 -8.441 -11.801 1.00 0.00 O ATOM 1011 CB LYS A 69 2.003 -10.756 -14.101 1.00 0.00 C ATOM 1012 CG LYS A 69 2.592 -12.149 -14.240 1.00 0.00 C ATOM 1013 CD LYS A 69 3.735 -12.173 -15.241 1.00 0.00 C ATOM 1014 CE LYS A 69 3.234 -12.442 -16.652 1.00 0.00 C ATOM 1015 NZ LYS A 69 4.311 -12.977 -17.530 1.00 0.00 N ATOM 0 H LYS A 69 -0.060 -12.079 -13.751 1.00 0.00 H new ATOM 0 HA LYS A 69 1.662 -10.923 -11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.418 -10.527 -14.992 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.815 -10.030 -14.058 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.950 -12.492 -13.269 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.814 -12.844 -14.557 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.262 -11.219 -15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.454 -12.941 -14.956 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.409 -13.153 -16.615 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.841 -11.520 -17.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.930 -13.147 -18.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.088 -12.288 -17.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.669 -13.870 -17.136 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.150 -8.621 -13.512 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.580 -7.229 -13.438 1.00 0.00 C ATOM 1031 C LYS A 70 -0.747 -6.787 -11.988 1.00 0.00 C ATOM 1032 O LYS A 70 -0.377 -5.671 -11.622 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.896 -7.040 -14.196 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.032 -7.898 -13.665 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.304 -7.701 -14.472 1.00 0.00 C ATOM 1036 CE LYS A 70 -4.955 -6.360 -14.168 1.00 0.00 C ATOM 1037 NZ LYS A 70 -6.265 -6.210 -14.860 1.00 0.00 N ATOM 0 H LYS A 70 -0.605 -9.164 -14.245 1.00 0.00 H new ATOM 0 HA LYS A 70 0.190 -6.611 -13.900 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.189 -5.991 -14.143 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.736 -7.274 -15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.740 -8.948 -13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.220 -7.648 -12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.074 -7.762 -15.536 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.005 -8.506 -14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.099 -6.262 -13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.288 -5.555 -14.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.284 -5.307 -15.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.395 -6.994 -15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.032 -6.225 -14.158 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.305 -7.670 -11.166 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.520 -7.371 -9.755 1.00 0.00 C ATOM 1053 C LEU A 71 -0.202 -7.389 -8.988 1.00 0.00 C ATOM 1054 O LEU A 71 0.467 -8.419 -8.906 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.493 -8.380 -9.142 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.795 -8.203 -7.654 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.400 -6.832 -7.391 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.726 -9.302 -7.164 1.00 0.00 C ATOM 0 H LEU A 71 -1.616 -8.598 -11.453 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.949 -6.371 -9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.433 -8.328 -9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.090 -9.381 -9.294 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.858 -8.276 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.608 -6.724 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.698 -6.059 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.327 -6.729 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.930 -9.160 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.662 -9.262 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.254 -10.273 -7.316 1.00 0.00 H new ATOM 1070 N PHE A 72 0.165 -6.242 -8.425 1.00 0.00 N ATOM 1071 CA PHE A 72 1.403 -6.126 -7.663 1.00 0.00 C ATOM 1072 C PHE A 72 1.180 -6.508 -6.202 1.00 0.00 C ATOM 1073 O PHE A 72 0.504 -5.797 -5.459 1.00 0.00 O ATOM 1074 CB PHE A 72 1.948 -4.699 -7.751 1.00 0.00 C ATOM 1075 CG PHE A 72 2.295 -4.275 -9.149 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.368 -4.846 -9.815 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.548 -3.306 -9.799 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.689 -4.457 -11.101 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.864 -2.913 -11.086 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.936 -3.490 -11.738 1.00 0.00 C ATOM 0 H PHE A 72 -0.377 -5.380 -8.482 1.00 0.00 H new ATOM 0 HA PHE A 72 2.131 -6.813 -8.093 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.208 -4.010 -7.344 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.836 -4.619 -7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.960 -5.604 -9.323 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.708 -2.852 -9.294 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.529 -4.909 -11.608 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.274 -2.156 -11.581 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.185 -3.186 -12.744 1.00 0.00 H new ATOM 1090 N VAL A 73 1.754 -7.637 -5.798 1.00 0.00 N ATOM 1091 CA VAL A 73 1.619 -8.115 -4.427 1.00 0.00 C ATOM 1092 C VAL A 73 2.837 -7.736 -3.591 1.00 0.00 C ATOM 1093 O VAL A 73 3.977 -7.947 -4.005 1.00 0.00 O ATOM 1094 CB VAL A 73 1.434 -9.643 -4.381 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.039 -10.091 -2.982 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.398 -10.085 -5.404 1.00 0.00 C ATOM 0 H VAL A 73 2.317 -8.237 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 73 0.732 -7.637 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 73 2.384 -10.115 -4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.913 -11.174 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.819 -9.808 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.102 -9.613 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.280 -11.168 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.556 -9.606 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.727 -9.798 -6.403 1.00 0.00 H new ATOM 1106 N VAL A 74 2.587 -7.176 -2.412 1.00 0.00 N ATOM 1107 CA VAL A 74 3.663 -6.769 -1.516 1.00 0.00 C ATOM 1108 C VAL A 74 3.338 -7.125 -0.070 1.00 0.00 C ATOM 1109 O VAL A 74 2.263 -7.648 0.226 1.00 0.00 O ATOM 1110 CB VAL A 74 3.930 -5.255 -1.612 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.608 -4.915 -2.931 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.635 -4.474 -1.452 1.00 0.00 C ATOM 0 H VAL A 74 1.649 -6.994 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 74 4.557 -7.309 -1.828 1.00 0.00 H new ATOM 0 HB VAL A 74 4.601 -4.970 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.789 -3.841 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.557 -5.446 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.964 -5.214 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.843 -3.406 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.938 -4.761 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.195 -4.694 -0.479 1.00 0.00 H new ATOM 1122 N LYS A 75 4.274 -6.839 0.829 1.00 0.00 N ATOM 1123 CA LYS A 75 4.088 -7.128 2.246 1.00 0.00 C ATOM 1124 C LYS A 75 3.259 -6.039 2.919 1.00 0.00 C ATOM 1125 O LYS A 75 2.815 -5.094 2.267 1.00 0.00 O ATOM 1126 CB LYS A 75 5.445 -7.255 2.943 1.00 0.00 C ATOM 1127 CG LYS A 75 6.416 -8.174 2.222 1.00 0.00 C ATOM 1128 CD LYS A 75 7.303 -7.402 1.260 1.00 0.00 C ATOM 1129 CE LYS A 75 8.616 -8.128 1.009 1.00 0.00 C ATOM 1130 NZ LYS A 75 9.732 -7.179 0.742 1.00 0.00 N ATOM 0 H LYS A 75 5.169 -6.407 0.601 1.00 0.00 H new ATOM 0 HA LYS A 75 3.552 -8.073 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.893 -6.265 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.290 -7.627 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.036 -8.695 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.860 -8.935 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.779 -7.259 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.506 -6.411 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.862 -8.744 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.502 -8.802 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.632 -7.609 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.769 -6.964 -0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.576 -6.300 1.276 1.00 0.00 H new ATOM 1144 N GLN A 76 3.056 -6.178 4.225 1.00 0.00 N ATOM 1145 CA GLN A 76 2.281 -5.204 4.985 1.00 0.00 C ATOM 1146 C GLN A 76 3.050 -3.896 5.138 1.00 0.00 C ATOM 1147 O GLN A 76 2.457 -2.819 5.178 1.00 0.00 O ATOM 1148 CB GLN A 76 1.928 -5.766 6.363 1.00 0.00 C ATOM 1149 CG GLN A 76 3.135 -5.972 7.264 1.00 0.00 C ATOM 1150 CD GLN A 76 3.856 -7.276 6.984 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.132 -8.385 7.078 1.00 0.00 O flip ATOM 1152 NE2 GLN A 76 5.051 -7.287 6.687 1.00 0.00 N flip ATOM 0 H GLN A 76 3.417 -6.955 4.779 1.00 0.00 H new ATOM 0 HA GLN A 76 1.361 -5.001 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.230 -5.088 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.413 -6.718 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.829 -5.142 7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.813 -5.955 8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.569 -6.411 6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.522 -8.172 6.502 1.00 0.00 H new ATOM 1161 N GLU A 77 4.373 -3.999 5.224 1.00 0.00 N ATOM 1162 CA GLU A 77 5.221 -2.823 5.374 1.00 0.00 C ATOM 1163 C GLU A 77 4.892 -1.775 4.314 1.00 0.00 C ATOM 1164 O GLU A 77 4.654 -0.610 4.632 1.00 0.00 O ATOM 1165 CB GLU A 77 6.697 -3.216 5.276 1.00 0.00 C ATOM 1166 CG GLU A 77 7.650 -2.113 5.706 1.00 0.00 C ATOM 1167 CD GLU A 77 9.088 -2.586 5.793 1.00 0.00 C ATOM 1168 OE1 GLU A 77 9.446 -3.536 5.066 1.00 0.00 O ATOM 1169 OE2 GLU A 77 9.856 -2.006 6.589 1.00 0.00 O ATOM 0 H GLU A 77 4.880 -4.884 5.192 1.00 0.00 H new ATOM 0 HA GLU A 77 5.030 -2.393 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.872 -4.097 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.922 -3.498 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.586 -1.286 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.339 -1.727 6.677 1.00 0.00 H new ATOM 1176 N TRP A 78 4.880 -2.199 3.056 1.00 0.00 N ATOM 1177 CA TRP A 78 4.581 -1.297 1.949 1.00 0.00 C ATOM 1178 C TRP A 78 3.423 -0.369 2.301 1.00 0.00 C ATOM 1179 O TRP A 78 3.591 0.848 2.373 1.00 0.00 O ATOM 1180 CB TRP A 78 4.244 -2.097 0.689 1.00 0.00 C ATOM 1181 CG TRP A 78 4.165 -1.254 -0.547 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.170 -1.008 -1.438 1.00 0.00 C ATOM 1183 CD2 TRP A 78 3.018 -0.543 -1.027 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.718 -0.188 -2.443 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.401 0.111 -2.214 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.706 -0.397 -0.571 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.518 0.899 -2.948 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.830 0.385 -1.300 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.239 1.024 -2.478 1.00 0.00 C ATOM 0 H TRP A 78 5.074 -3.161 2.777 1.00 0.00 H new ATOM 0 HA TRP A 78 5.465 -0.689 1.759 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.999 -2.870 0.545 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.291 -2.606 0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.173 -1.401 -1.363 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.273 0.144 -3.232 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.382 -0.887 0.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.831 1.394 -3.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.187 0.506 -0.956 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.530 1.627 -3.026 1.00 0.00 H new ATOM 1200 N PHE A 79 2.249 -0.951 2.519 1.00 0.00 N ATOM 1201 CA PHE A 79 1.063 -0.175 2.863 1.00 0.00 C ATOM 1202 C PHE A 79 1.364 0.805 3.993 1.00 0.00 C ATOM 1203 O PHE A 79 1.021 1.985 3.914 1.00 0.00 O ATOM 1204 CB PHE A 79 -0.081 -1.106 3.270 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.303 -0.378 3.753 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.097 0.333 2.868 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.657 -0.404 5.093 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.222 1.004 3.310 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.780 0.265 5.541 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.564 0.969 4.648 1.00 0.00 C ATOM 0 H PHE A 79 2.093 -1.957 2.464 1.00 0.00 H new ATOM 0 HA PHE A 79 0.763 0.394 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.352 -1.729 2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.268 -1.775 4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.834 0.363 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.048 -0.954 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.833 1.555 2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.044 0.237 6.588 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.443 1.491 4.995 1.00 0.00 H new ATOM 1220 N TRP A 80 2.005 0.307 5.044 1.00 0.00 N ATOM 1221 CA TRP A 80 2.351 1.138 6.192 1.00 0.00 C ATOM 1222 C TRP A 80 3.227 2.312 5.769 1.00 0.00 C ATOM 1223 O TRP A 80 2.813 3.468 5.848 1.00 0.00 O ATOM 1224 CB TRP A 80 3.072 0.304 7.253 1.00 0.00 C ATOM 1225 CG TRP A 80 2.164 -0.638 7.984 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.327 -1.986 8.129 1.00 0.00 C ATOM 1227 CD2 TRP A 80 0.953 -0.303 8.670 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.290 -2.509 8.863 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.434 -1.497 9.207 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.257 0.890 8.884 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.748 -1.530 9.942 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.916 0.856 9.613 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.409 -0.347 10.136 1.00 0.00 C ATOM 0 H TRP A 80 2.296 -0.667 5.125 1.00 0.00 H new ATOM 0 HA TRP A 80 1.427 1.532 6.616 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.869 -0.267 6.777 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.545 0.973 7.972 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.150 -2.557 7.726 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.176 -3.492 9.111 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.630 1.822 8.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.130 -2.456 10.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.462 1.772 9.783 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.328 -0.341 10.703 1.00 0.00 H new ATOM 1244 N GLY A 81 4.441 2.008 5.320 1.00 0.00 N ATOM 1245 CA GLY A 81 5.356 3.050 4.891 1.00 0.00 C ATOM 1246 C GLY A 81 4.674 4.111 4.051 1.00 0.00 C ATOM 1247 O GLY A 81 4.569 5.266 4.462 1.00 0.00 O ATOM 0 H GLY A 81 4.807 1.059 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.805 3.518 5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.168 2.603 4.317 1.00 0.00 H new ATOM 1251 N SER A 82 4.210 3.719 2.869 1.00 0.00 N ATOM 1252 CA SER A 82 3.539 4.646 1.965 1.00 0.00 C ATOM 1253 C SER A 82 2.706 5.658 2.746 1.00 0.00 C ATOM 1254 O SER A 82 2.683 6.845 2.418 1.00 0.00 O ATOM 1255 CB SER A 82 2.646 3.882 0.985 1.00 0.00 C ATOM 1256 OG SER A 82 3.412 3.308 -0.060 1.00 0.00 O ATOM 0 H SER A 82 4.286 2.766 2.515 1.00 0.00 H new ATOM 0 HA SER A 82 4.303 5.184 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.104 3.099 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.900 4.557 0.565 1.00 0.00 H new ATOM 0 HG SER A 82 4.332 3.169 0.247 1.00 0.00 H new ATOM 1262 N ILE A 83 2.022 5.180 3.780 1.00 0.00 N ATOM 1263 CA ILE A 83 1.188 6.042 4.608 1.00 0.00 C ATOM 1264 C ILE A 83 2.041 6.971 5.467 1.00 0.00 C ATOM 1265 O ILE A 83 1.807 8.179 5.511 1.00 0.00 O ATOM 1266 CB ILE A 83 0.263 5.220 5.525 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.650 4.320 4.689 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.559 6.141 6.412 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -1.265 3.185 5.477 1.00 0.00 C ATOM 0 H ILE A 83 2.029 4.200 4.064 1.00 0.00 H new ATOM 0 HA ILE A 83 0.577 6.636 3.929 1.00 0.00 H new ATOM 0 HB ILE A 83 0.878 4.588 6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.447 4.925 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.078 3.907 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.207 5.545 7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.108 6.743 7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.168 6.797 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.900 2.589 4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.474 2.556 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.865 3.591 6.292 1.00 0.00 H new ATOM 1281 N GLN A 84 3.030 6.399 6.145 1.00 0.00 N ATOM 1282 CA GLN A 84 3.918 7.176 7.001 1.00 0.00 C ATOM 1283 C GLN A 84 4.552 8.327 6.226 1.00 0.00 C ATOM 1284 O GLN A 84 4.610 9.456 6.711 1.00 0.00 O ATOM 1285 CB GLN A 84 5.009 6.279 7.589 1.00 0.00 C ATOM 1286 CG GLN A 84 5.573 6.790 8.905 1.00 0.00 C ATOM 1287 CD GLN A 84 6.838 6.063 9.318 1.00 0.00 C ATOM 1288 OE1 GLN A 84 7.914 6.305 8.770 1.00 0.00 O ATOM 1289 NE2 GLN A 84 6.716 5.168 10.291 1.00 0.00 N ATOM 0 H GLN A 84 3.237 5.401 6.118 1.00 0.00 H new ATOM 0 HA GLN A 84 3.324 7.593 7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.603 5.279 7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.820 6.187 6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.783 7.856 8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.822 6.677 9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.805 4.999 10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.533 4.649 10.612 1.00 0.00 H new ATOM 1298 N MET A 85 5.026 8.031 5.020 1.00 0.00 N ATOM 1299 CA MET A 85 5.655 9.042 4.178 1.00 0.00 C ATOM 1300 C MET A 85 4.659 9.608 3.172 1.00 0.00 C ATOM 1301 O MET A 85 4.976 10.532 2.423 1.00 0.00 O ATOM 1302 CB MET A 85 6.858 8.447 3.443 1.00 0.00 C ATOM 1303 CG MET A 85 6.500 7.280 2.537 1.00 0.00 C ATOM 1304 SD MET A 85 7.845 6.090 2.374 1.00 0.00 S ATOM 1305 CE MET A 85 7.119 4.913 1.236 1.00 0.00 C ATOM 0 H MET A 85 4.987 7.100 4.604 1.00 0.00 H new ATOM 0 HA MET A 85 5.996 9.854 4.821 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.332 9.227 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.593 8.115 4.176 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.619 6.775 2.933 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.234 7.659 1.550 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.867 4.172 0.953 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.277 4.414 1.716 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.770 5.436 0.345 1.00 0.00 H new ATOM 1315 N ASP A 86 3.454 9.048 3.160 1.00 0.00 N ATOM 1316 CA ASP A 86 2.411 9.498 2.245 1.00 0.00 C ATOM 1317 C ASP A 86 2.919 9.513 0.807 1.00 0.00 C ATOM 1318 O ASP A 86 2.634 10.439 0.048 1.00 0.00 O ATOM 1319 CB ASP A 86 1.922 10.892 2.642 1.00 0.00 C ATOM 1320 CG ASP A 86 1.040 10.867 3.875 1.00 0.00 C ATOM 1321 OD1 ASP A 86 -0.191 10.718 3.722 1.00 0.00 O ATOM 1322 OD2 ASP A 86 1.581 10.995 4.993 1.00 0.00 O ATOM 0 H ASP A 86 3.175 8.282 3.773 1.00 0.00 H new ATOM 0 HA ASP A 86 1.578 8.798 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.782 11.536 2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.368 11.330 1.811 1.00 0.00 H new ATOM 1327 N ALA A 87 3.673 8.483 0.440 1.00 0.00 N ATOM 1328 CA ALA A 87 4.219 8.378 -0.907 1.00 0.00 C ATOM 1329 C ALA A 87 4.257 6.926 -1.373 1.00 0.00 C ATOM 1330 O ALA A 87 4.774 6.054 -0.674 1.00 0.00 O ATOM 1331 CB ALA A 87 5.612 8.988 -0.961 1.00 0.00 C ATOM 0 H ALA A 87 3.920 7.709 1.057 1.00 0.00 H new ATOM 0 HA ALA A 87 3.565 8.931 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.008 8.903 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.560 10.040 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.268 8.459 -0.269 1.00 0.00 H new ATOM 1337 N ARG A 88 3.706 6.674 -2.556 1.00 0.00 N ATOM 1338 CA ARG A 88 3.676 5.327 -3.113 1.00 0.00 C ATOM 1339 C ARG A 88 5.089 4.780 -3.291 1.00 0.00 C ATOM 1340 O ARG A 88 5.802 5.166 -4.217 1.00 0.00 O ATOM 1341 CB ARG A 88 2.943 5.324 -4.456 1.00 0.00 C ATOM 1342 CG ARG A 88 2.600 3.932 -4.960 1.00 0.00 C ATOM 1343 CD ARG A 88 2.158 3.959 -6.414 1.00 0.00 C ATOM 1344 NE ARG A 88 3.286 3.829 -7.332 1.00 0.00 N ATOM 1345 CZ ARG A 88 3.192 4.016 -8.644 1.00 0.00 C ATOM 1346 NH1 ARG A 88 2.027 4.339 -9.188 1.00 0.00 N ATOM 1347 NH2 ARG A 88 4.264 3.880 -9.413 1.00 0.00 N ATOM 0 H ARG A 88 3.275 7.385 -3.147 1.00 0.00 H new ATOM 0 HA ARG A 88 3.142 4.684 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.024 5.903 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.561 5.828 -5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.468 3.282 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.807 3.507 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.450 3.150 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.632 4.892 -6.616 1.00 0.00 H new ATOM 0 HE ARG A 88 4.196 3.581 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.201 4.444 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.957 4.482 -10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.162 3.632 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.191 4.024 -10.420 1.00 0.00 H new ATOM 1361 N ALA A 89 5.487 3.880 -2.398 1.00 0.00 N ATOM 1362 CA ALA A 89 6.814 3.279 -2.458 1.00 0.00 C ATOM 1363 C ALA A 89 6.913 2.280 -3.606 1.00 0.00 C ATOM 1364 O ALA A 89 5.906 1.905 -4.204 1.00 0.00 O ATOM 1365 CB ALA A 89 7.146 2.602 -1.137 1.00 0.00 C ATOM 0 H ALA A 89 4.910 3.551 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 89 7.538 4.073 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.139 2.157 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.125 3.340 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.411 1.823 -0.933 1.00 0.00 H new ATOM 1371 N GLY A 90 8.135 1.854 -3.910 1.00 0.00 N ATOM 1372 CA GLY A 90 8.343 0.904 -4.986 1.00 0.00 C ATOM 1373 C GLY A 90 8.101 -0.528 -4.550 1.00 0.00 C ATOM 1374 O GLY A 90 8.632 -0.971 -3.532 1.00 0.00 O ATOM 0 H GLY A 90 8.985 2.150 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.677 1.146 -5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.363 1.000 -5.359 1.00 0.00 H new ATOM 1378 N GLU A 91 7.297 -1.252 -5.322 1.00 0.00 N ATOM 1379 CA GLU A 91 6.985 -2.641 -5.008 1.00 0.00 C ATOM 1380 C GLU A 91 8.248 -3.497 -5.009 1.00 0.00 C ATOM 1381 O GLU A 91 8.453 -4.324 -4.120 1.00 0.00 O ATOM 1382 CB GLU A 91 5.975 -3.200 -6.012 1.00 0.00 C ATOM 1383 CG GLU A 91 4.719 -2.357 -6.147 1.00 0.00 C ATOM 1384 CD GLU A 91 3.703 -2.645 -5.058 1.00 0.00 C ATOM 1385 OE1 GLU A 91 3.912 -2.183 -3.916 1.00 0.00 O ATOM 1386 OE2 GLU A 91 2.702 -3.332 -5.347 1.00 0.00 O ATOM 0 H GLU A 91 6.850 -0.900 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 91 6.548 -2.671 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.453 -3.282 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.694 -4.209 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.989 -1.302 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.265 -2.542 -7.121 1.00 0.00 H new ATOM 1393 N THR A 92 9.093 -3.293 -6.015 1.00 0.00 N ATOM 1394 CA THR A 92 10.335 -4.045 -6.135 1.00 0.00 C ATOM 1395 C THR A 92 11.010 -4.212 -4.779 1.00 0.00 C ATOM 1396 O THR A 92 11.680 -5.214 -4.527 1.00 0.00 O ATOM 1397 CB THR A 92 11.317 -3.359 -7.103 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.751 -3.304 -8.418 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.643 -4.103 -7.147 1.00 0.00 C ATOM 0 H THR A 92 8.939 -2.612 -6.759 1.00 0.00 H new ATOM 0 HA THR A 92 10.072 -5.026 -6.531 1.00 0.00 H new ATOM 0 HB THR A 92 11.499 -2.346 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.381 -2.865 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.320 -3.600 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.085 -4.117 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.475 -5.126 -7.484 1.00 0.00 H new ATOM 1407 N MET A 93 10.829 -3.225 -3.907 1.00 0.00 N ATOM 1408 CA MET A 93 11.419 -3.265 -2.575 1.00 0.00 C ATOM 1409 C MET A 93 10.559 -4.089 -1.623 1.00 0.00 C ATOM 1410 O MET A 93 11.073 -4.753 -0.722 1.00 0.00 O ATOM 1411 CB MET A 93 11.591 -1.846 -2.027 1.00 0.00 C ATOM 1412 CG MET A 93 12.758 -1.094 -2.644 1.00 0.00 C ATOM 1413 SD MET A 93 12.418 -0.546 -4.329 1.00 0.00 S ATOM 1414 CE MET A 93 12.058 1.187 -4.055 1.00 0.00 C ATOM 0 H MET A 93 10.278 -2.388 -4.100 1.00 0.00 H new ATOM 0 HA MET A 93 12.398 -3.738 -2.653 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.674 -1.284 -2.202 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.732 -1.897 -0.947 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.995 -0.228 -2.025 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.639 -1.736 -2.646 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.827 1.666 -5.007 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.203 1.280 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 93 12.925 1.672 -3.606 1.00 0.00 H new ATOM 1424 N TYR A 94 9.247 -4.042 -1.827 1.00 0.00 N ATOM 1425 CA TYR A 94 8.315 -4.783 -0.985 1.00 0.00 C ATOM 1426 C TYR A 94 7.569 -5.839 -1.796 1.00 0.00 C ATOM 1427 O TYR A 94 6.409 -6.146 -1.520 1.00 0.00 O ATOM 1428 CB TYR A 94 7.316 -3.827 -0.331 1.00 0.00 C ATOM 1429 CG TYR A 94 7.970 -2.675 0.398 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.347 -1.523 -0.280 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.210 -2.739 1.765 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.945 -0.468 0.382 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.806 -1.688 2.435 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.172 -0.555 1.739 1.00 0.00 C ATOM 1435 OH TYR A 94 9.767 0.494 2.403 1.00 0.00 O ATOM 0 H TYR A 94 8.805 -3.498 -2.568 1.00 0.00 H new ATOM 0 HA TYR A 94 8.889 -5.287 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.650 -3.430 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.697 -4.386 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.170 -1.451 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.926 -3.625 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.233 0.420 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.984 -1.753 3.498 1.00 0.00 H new ATOM 0 HH TYR A 94 9.854 0.272 3.354 1.00 0.00 H new ATOM 1445 N LEU A 95 8.245 -6.392 -2.797 1.00 0.00 N ATOM 1446 CA LEU A 95 7.648 -7.415 -3.649 1.00 0.00 C ATOM 1447 C LEU A 95 7.537 -8.744 -2.908 1.00 0.00 C ATOM 1448 O LEU A 95 8.542 -9.404 -2.642 1.00 0.00 O ATOM 1449 CB LEU A 95 8.478 -7.595 -4.921 1.00 0.00 C ATOM 1450 CG LEU A 95 8.085 -6.716 -6.109 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.910 -7.075 -7.335 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.599 -6.854 -6.405 1.00 0.00 C ATOM 0 H LEU A 95 9.206 -6.150 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 95 6.645 -7.087 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.523 -7.399 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.412 -8.638 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 95 8.289 -5.677 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.616 -6.439 -8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.968 -6.924 -7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.738 -8.119 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.337 -6.222 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.370 -7.893 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.024 -6.546 -5.532 1.00 0.00 H new ATOM 1464 N TYR A 96 6.310 -9.132 -2.581 1.00 0.00 N ATOM 1465 CA TYR A 96 6.068 -10.382 -1.871 1.00 0.00 C ATOM 1466 C TYR A 96 6.633 -11.568 -2.646 1.00 0.00 C ATOM 1467 O TYR A 96 5.952 -12.156 -3.485 1.00 0.00 O ATOM 1468 CB TYR A 96 4.569 -10.579 -1.638 1.00 0.00 C ATOM 1469 CG TYR A 96 4.233 -11.853 -0.896 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.097 -12.369 0.062 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.053 -12.539 -1.153 1.00 0.00 C ATOM 1472 CE1 TYR A 96 4.795 -13.533 0.743 1.00 0.00 C ATOM 1473 CE2 TYR A 96 2.742 -13.703 -0.476 1.00 0.00 C ATOM 1474 CZ TYR A 96 3.616 -14.196 0.471 1.00 0.00 C ATOM 1475 OH TYR A 96 3.311 -15.355 1.146 1.00 0.00 O ATOM 0 H TYR A 96 5.467 -8.599 -2.796 1.00 0.00 H new ATOM 0 HA TYR A 96 6.575 -10.326 -0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.183 -9.729 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.058 -10.584 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.020 -11.852 0.278 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.367 -12.156 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.478 -13.921 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.820 -14.224 -0.687 1.00 0.00 H new ATOM 0 HH TYR A 96 3.251 -15.168 2.106 1.00 0.00 H new