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 68 SER OG : rot 141:sc= -0.0656 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -108:sc= -0.9 (180deg=-3.93!) USER MOD Set 2.1: A 51 THR OG1 : rot 88:sc= 0.928 USER MOD Set 2.2: A 52 HIS : no HD1:sc= 0.775 K(o=1.7,f=-3.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -5.37! C(o=-5.4!,f=-8!) USER MOD Single : A 16 CYS SG : rot 42:sc= 1.03 USER MOD Single : A 19 SER OG : rot -59:sc= -0.617 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -6.7! C(o=-6.7!,f=-9.6!) USER MOD Single : A 30 SER OG : rot 78:sc= 0.533 USER MOD Single : A 31 MET CE :methyl -162:sc= -0.822 (180deg=-1.7) USER MOD Single : A 34 MET CE :methyl -134:sc= 0 (180deg=-0.0998) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 37 MET CE :methyl 165:sc= -0.0148 (180deg=-0.207) USER MOD Single : A 38 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -95:sc= 0.382 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.203 F(o=-1,f=-0.2) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= -0.0792 (180deg=-0.528) USER MOD Single : A 76 GLN : amide:sc= -1.95! C(o=-2!,f=-5.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.00477 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 85 MET CE :methyl -163:sc= -4.25! (180deg=-4.88!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 171:sc= 0 (180deg=-0.00543) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LYS A 9 -1.882 18.472 -5.402 1.00 0.00 N ATOM 87 CA LYS A 9 -1.177 17.355 -4.785 1.00 0.00 C ATOM 88 C LYS A 9 -1.907 16.041 -5.044 1.00 0.00 C ATOM 89 O LYS A 9 -3.119 16.024 -5.258 1.00 0.00 O ATOM 90 CB LYS A 9 -1.037 17.584 -3.278 1.00 0.00 C ATOM 91 CG LYS A 9 0.215 18.353 -2.894 1.00 0.00 C ATOM 92 CD LYS A 9 -0.011 19.854 -2.960 1.00 0.00 C ATOM 93 CE LYS A 9 1.172 20.621 -2.388 1.00 0.00 C ATOM 94 NZ LYS A 9 2.339 20.611 -3.312 1.00 0.00 N ATOM 0 HA LYS A 9 -0.184 17.293 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.911 18.127 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.030 16.619 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.520 18.074 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.032 18.077 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.174 20.153 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.915 20.112 -2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.875 21.651 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.461 20.183 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.124 21.144 -2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.639 19.630 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.071 21.052 -4.215 1.00 0.00 H new ATOM 108 N VAL A 10 -1.161 14.941 -5.023 1.00 0.00 N ATOM 109 CA VAL A 10 -1.738 13.621 -5.253 1.00 0.00 C ATOM 110 C VAL A 10 -1.399 12.667 -4.113 1.00 0.00 C ATOM 111 O VAL A 10 -0.268 12.616 -3.629 1.00 0.00 O ATOM 112 CB VAL A 10 -1.243 13.016 -6.580 1.00 0.00 C ATOM 113 CG1 VAL A 10 -1.789 11.608 -6.761 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.637 13.905 -7.750 1.00 0.00 C ATOM 0 H VAL A 10 -0.156 14.937 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.819 13.752 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.155 12.956 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.429 11.196 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.452 10.978 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.879 11.639 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.279 13.463 -8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.722 13.998 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.192 14.892 -7.623 1.00 0.00 H new ATOM 124 N PRO A 11 -2.400 11.891 -3.674 1.00 0.00 N ATOM 125 CA PRO A 11 -2.232 10.922 -2.586 1.00 0.00 C ATOM 126 C PRO A 11 -1.363 9.738 -2.994 1.00 0.00 C ATOM 127 O PRO A 11 -1.175 9.453 -4.177 1.00 0.00 O ATOM 128 CB PRO A 11 -3.663 10.461 -2.297 1.00 0.00 C ATOM 129 CG PRO A 11 -4.398 10.685 -3.574 1.00 0.00 C ATOM 130 CD PRO A 11 -3.774 11.899 -4.204 1.00 0.00 C ATOM 0 HA PRO A 11 -1.729 11.360 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.689 9.411 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.105 11.031 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.314 9.818 -4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.461 10.844 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.785 11.837 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.305 12.811 -3.931 1.00 0.00 H new ATOM 138 N PRO A 12 -0.820 9.029 -1.993 1.00 0.00 N ATOM 139 CA PRO A 12 0.038 7.863 -2.224 1.00 0.00 C ATOM 140 C PRO A 12 -0.739 6.672 -2.776 1.00 0.00 C ATOM 141 O PRO A 12 -0.150 5.701 -3.253 1.00 0.00 O ATOM 142 CB PRO A 12 0.585 7.544 -0.831 1.00 0.00 C ATOM 143 CG PRO A 12 -0.432 8.092 0.110 1.00 0.00 C ATOM 144 CD PRO A 12 -1.001 9.311 -0.560 1.00 0.00 C ATOM 0 HA PRO A 12 0.811 8.066 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.714 6.471 -0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.560 8.006 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.212 7.358 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.021 8.349 1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.052 9.454 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.475 10.217 -0.259 1.00 0.00 H new ATOM 152 N PHE A 13 -2.064 6.754 -2.710 1.00 0.00 N ATOM 153 CA PHE A 13 -2.921 5.682 -3.204 1.00 0.00 C ATOM 154 C PHE A 13 -3.908 6.210 -4.240 1.00 0.00 C ATOM 155 O PHE A 13 -4.962 5.615 -4.467 1.00 0.00 O ATOM 156 CB PHE A 13 -3.680 5.033 -2.044 1.00 0.00 C ATOM 157 CG PHE A 13 -2.781 4.459 -0.986 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.616 3.794 -1.334 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.102 4.585 0.356 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.787 3.266 -0.362 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.276 4.059 1.332 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.118 3.398 0.972 1.00 0.00 C ATOM 0 H PHE A 13 -2.567 7.551 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.288 4.933 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.336 5.775 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.318 4.241 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.353 3.687 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.007 5.100 0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.119 2.751 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.536 4.165 2.375 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.472 2.985 1.733 1.00 0.00 H new ATOM 172 N GLN A 14 -3.559 7.329 -4.866 1.00 0.00 N ATOM 173 CA GLN A 14 -4.415 7.938 -5.877 1.00 0.00 C ATOM 174 C GLN A 14 -5.039 6.874 -6.774 1.00 0.00 C ATOM 175 O GLN A 14 -4.337 6.181 -7.512 1.00 0.00 O ATOM 176 CB GLN A 14 -3.615 8.930 -6.723 1.00 0.00 C ATOM 177 CG GLN A 14 -4.478 9.785 -7.637 1.00 0.00 C ATOM 178 CD GLN A 14 -5.287 10.817 -6.877 1.00 0.00 C ATOM 179 OE1 GLN A 14 -6.083 10.477 -6.002 1.00 0.00 O ATOM 180 NE2 GLN A 14 -5.087 12.087 -7.208 1.00 0.00 N ATOM 0 H GLN A 14 -2.689 7.832 -4.691 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.216 8.471 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.045 9.582 -6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.894 8.380 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.842 10.291 -8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.154 9.141 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.417 12.324 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.603 12.826 -6.731 1.00 0.00 H new ATOM 189 N ASP A 15 -6.359 6.748 -6.705 1.00 0.00 N ATOM 190 CA ASP A 15 -7.078 5.769 -7.511 1.00 0.00 C ATOM 191 C ASP A 15 -6.385 4.410 -7.461 1.00 0.00 C ATOM 192 O ASP A 15 -6.231 3.743 -8.485 1.00 0.00 O ATOM 193 CB ASP A 15 -7.184 6.248 -8.960 1.00 0.00 C ATOM 194 CG ASP A 15 -8.357 5.626 -9.691 1.00 0.00 C ATOM 195 OD1 ASP A 15 -9.512 5.903 -9.305 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.121 4.863 -10.651 1.00 0.00 O ATOM 0 H ASP A 15 -6.954 7.312 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.081 5.661 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.285 7.333 -8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.261 6.007 -9.488 1.00 0.00 H new ATOM 201 N CYS A 16 -5.969 4.008 -6.266 1.00 0.00 N ATOM 202 CA CYS A 16 -5.291 2.730 -6.082 1.00 0.00 C ATOM 203 C CYS A 16 -5.982 1.897 -5.008 1.00 0.00 C ATOM 204 O CYS A 16 -6.148 2.344 -3.873 1.00 0.00 O ATOM 205 CB CYS A 16 -3.826 2.956 -5.706 1.00 0.00 C ATOM 206 SG CYS A 16 -2.866 3.829 -6.965 1.00 0.00 S ATOM 0 H CYS A 16 -6.089 4.549 -5.409 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.337 2.184 -7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.784 3.522 -4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.359 1.990 -5.513 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.574 4.804 -7.452 1.00 0.00 H new ATOM 212 N ILE A 17 -6.385 0.685 -5.375 1.00 0.00 N ATOM 213 CA ILE A 17 -7.059 -0.210 -4.442 1.00 0.00 C ATOM 214 C ILE A 17 -6.064 -1.141 -3.757 1.00 0.00 C ATOM 215 O ILE A 17 -5.142 -1.656 -4.390 1.00 0.00 O ATOM 216 CB ILE A 17 -8.133 -1.057 -5.151 1.00 0.00 C ATOM 217 CG1 ILE A 17 -9.228 -0.156 -5.725 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.727 -2.074 -4.188 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.910 -0.735 -6.944 1.00 0.00 C ATOM 0 H ILE A 17 -6.257 0.300 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.540 0.419 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.664 -1.596 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.976 0.029 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.793 0.809 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.484 -2.665 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.939 -2.733 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.184 -1.554 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.674 -0.043 -7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.174 -0.894 -7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.374 -1.686 -6.684 1.00 0.00 H new ATOM 231 N LEU A 18 -6.258 -1.354 -2.460 1.00 0.00 N ATOM 232 CA LEU A 18 -5.379 -2.225 -1.688 1.00 0.00 C ATOM 233 C LEU A 18 -6.150 -3.412 -1.120 1.00 0.00 C ATOM 234 O LEU A 18 -7.296 -3.273 -0.692 1.00 0.00 O ATOM 235 CB LEU A 18 -4.720 -1.440 -0.552 1.00 0.00 C ATOM 236 CG LEU A 18 -3.710 -0.372 -0.972 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.483 -1.015 -1.600 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.348 0.617 -1.937 1.00 0.00 C ATOM 0 H LEU A 18 -7.016 -0.935 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.606 -2.604 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.504 -0.960 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.217 -2.147 0.108 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.395 0.172 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.775 -0.239 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.012 -1.682 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.781 -1.585 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.614 1.370 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.693 0.088 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.195 1.103 -1.453 1.00 0.00 H new ATOM 250 N SER A 19 -5.513 -4.579 -1.119 1.00 0.00 N ATOM 251 CA SER A 19 -6.140 -5.791 -0.606 1.00 0.00 C ATOM 252 C SER A 19 -5.312 -6.393 0.526 1.00 0.00 C ATOM 253 O SER A 19 -4.090 -6.503 0.426 1.00 0.00 O ATOM 254 CB SER A 19 -6.313 -6.816 -1.728 1.00 0.00 C ATOM 255 OG SER A 19 -5.264 -6.716 -2.676 1.00 0.00 O ATOM 0 H SER A 19 -4.563 -4.710 -1.468 1.00 0.00 H new ATOM 0 HA SER A 19 -7.121 -5.525 -0.213 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.332 -7.821 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.271 -6.660 -2.223 1.00 0.00 H new ATOM 0 HG SER A 19 -5.249 -5.812 -3.053 1.00 0.00 H new ATOM 261 N PHE A 20 -5.988 -6.782 1.602 1.00 0.00 N ATOM 262 CA PHE A 20 -5.316 -7.372 2.754 1.00 0.00 C ATOM 263 C PHE A 20 -5.738 -8.826 2.943 1.00 0.00 C ATOM 264 O PHE A 20 -6.927 -9.147 2.926 1.00 0.00 O ATOM 265 CB PHE A 20 -5.628 -6.570 4.019 1.00 0.00 C ATOM 266 CG PHE A 20 -5.565 -5.083 3.817 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.378 -4.470 3.452 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.693 -4.298 3.994 1.00 0.00 C ATOM 269 CE1 PHE A 20 -4.316 -3.102 3.264 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.638 -2.930 3.808 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.448 -2.331 3.444 1.00 0.00 C ATOM 0 H PHE A 20 -7.000 -6.699 1.700 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.242 -7.344 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.623 -6.839 4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.924 -6.852 4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.490 -5.068 3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.626 -4.761 4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.384 -2.637 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.525 -2.330 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.403 -1.262 3.300 1.00 0.00 H new ATOM 281 N LEU A 21 -4.755 -9.702 3.123 1.00 0.00 N ATOM 282 CA LEU A 21 -5.023 -11.123 3.315 1.00 0.00 C ATOM 283 C LEU A 21 -4.163 -11.692 4.440 1.00 0.00 C ATOM 284 O LEU A 21 -2.953 -11.854 4.289 1.00 0.00 O ATOM 285 CB LEU A 21 -4.760 -11.892 2.019 1.00 0.00 C ATOM 286 CG LEU A 21 -4.556 -13.400 2.162 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.806 -14.057 2.725 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.184 -14.018 0.822 1.00 0.00 C ATOM 0 H LEU A 21 -3.766 -9.453 3.140 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.072 -11.235 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.598 -11.722 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.875 -11.470 1.543 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.735 -13.571 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.642 -15.130 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.028 -13.636 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.646 -13.876 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.043 -15.092 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.983 -13.836 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.260 -13.569 0.458 1.00 0.00 H new ATOM 300 N GLY A 22 -4.799 -11.995 5.568 1.00 0.00 N ATOM 301 CA GLY A 22 -4.077 -12.545 6.701 1.00 0.00 C ATOM 302 C GLY A 22 -4.389 -11.818 7.994 1.00 0.00 C ATOM 303 O GLY A 22 -4.778 -12.438 8.985 1.00 0.00 O ATOM 0 H GLY A 22 -5.800 -11.870 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.328 -13.600 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.006 -12.491 6.507 1.00 0.00 H new ATOM 307 N PHE A 23 -4.217 -10.500 7.987 1.00 0.00 N ATOM 308 CA PHE A 23 -4.480 -9.689 9.170 1.00 0.00 C ATOM 309 C PHE A 23 -5.895 -9.929 9.690 1.00 0.00 C ATOM 310 O PHE A 23 -6.801 -10.261 8.926 1.00 0.00 O ATOM 311 CB PHE A 23 -4.288 -8.205 8.849 1.00 0.00 C ATOM 312 CG PHE A 23 -3.094 -7.930 7.979 1.00 0.00 C ATOM 313 CD1 PHE A 23 -1.853 -7.679 8.542 1.00 0.00 C ATOM 314 CD2 PHE A 23 -3.214 -7.922 6.599 1.00 0.00 C ATOM 315 CE1 PHE A 23 -0.754 -7.425 7.744 1.00 0.00 C ATOM 316 CE2 PHE A 23 -2.118 -7.669 5.795 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.886 -7.421 6.369 1.00 0.00 C ATOM 0 H PHE A 23 -3.897 -9.971 7.176 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.772 -9.981 9.946 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.183 -7.830 8.353 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.184 -7.650 9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.744 -7.682 9.616 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.175 -8.116 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.208 -7.230 8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.225 -7.665 4.720 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.028 -7.224 5.744 1.00 0.00 H new ATOM 327 N SER A 24 -6.075 -9.758 10.996 1.00 0.00 N ATOM 328 CA SER A 24 -7.377 -9.960 11.621 1.00 0.00 C ATOM 329 C SER A 24 -8.372 -8.899 11.159 1.00 0.00 C ATOM 330 O SER A 24 -8.015 -7.975 10.427 1.00 0.00 O ATOM 331 CB SER A 24 -7.247 -9.924 13.144 1.00 0.00 C ATOM 332 OG SER A 24 -6.704 -11.136 13.639 1.00 0.00 O ATOM 0 H SER A 24 -5.336 -9.480 11.642 1.00 0.00 H new ATOM 0 HA SER A 24 -7.749 -10.939 11.319 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.610 -9.090 13.438 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.226 -9.751 13.592 1.00 0.00 H new ATOM 0 HG SER A 24 -6.630 -11.087 14.615 1.00 0.00 H new ATOM 338 N ASP A 25 -9.620 -9.039 11.591 1.00 0.00 N ATOM 339 CA ASP A 25 -10.667 -8.093 11.224 1.00 0.00 C ATOM 340 C ASP A 25 -10.338 -6.693 11.734 1.00 0.00 C ATOM 341 O ASP A 25 -10.551 -5.703 11.037 1.00 0.00 O ATOM 342 CB ASP A 25 -12.015 -8.549 11.783 1.00 0.00 C ATOM 343 CG ASP A 25 -13.183 -8.062 10.949 1.00 0.00 C ATOM 344 OD1 ASP A 25 -13.270 -8.452 9.765 1.00 0.00 O ATOM 345 OD2 ASP A 25 -14.011 -7.292 11.479 1.00 0.00 O ATOM 0 H ASP A 25 -9.932 -9.799 12.196 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.726 -8.059 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.036 -9.638 11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.124 -8.183 12.804 1.00 0.00 H new ATOM 350 N GLU A 26 -9.819 -6.621 12.956 1.00 0.00 N ATOM 351 CA GLU A 26 -9.463 -5.342 13.560 1.00 0.00 C ATOM 352 C GLU A 26 -8.300 -4.694 12.814 1.00 0.00 C ATOM 353 O GLU A 26 -8.430 -3.593 12.280 1.00 0.00 O ATOM 354 CB GLU A 26 -9.095 -5.533 15.033 1.00 0.00 C ATOM 355 CG GLU A 26 -8.155 -4.466 15.568 1.00 0.00 C ATOM 356 CD GLU A 26 -8.267 -4.291 17.071 1.00 0.00 C ATOM 357 OE1 GLU A 26 -8.011 -5.270 17.803 1.00 0.00 O ATOM 358 OE2 GLU A 26 -8.610 -3.175 17.513 1.00 0.00 O ATOM 0 H GLU A 26 -9.636 -7.432 13.547 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.329 -4.683 13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.007 -5.534 15.630 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.631 -6.511 15.159 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.129 -4.729 15.312 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.372 -3.517 15.078 1.00 0.00 H new ATOM 365 N GLU A 27 -7.165 -5.385 12.783 1.00 0.00 N ATOM 366 CA GLU A 27 -5.979 -4.875 12.105 1.00 0.00 C ATOM 367 C GLU A 27 -6.296 -4.509 10.658 1.00 0.00 C ATOM 368 O GLU A 27 -5.780 -3.525 10.127 1.00 0.00 O ATOM 369 CB GLU A 27 -4.855 -5.913 12.145 1.00 0.00 C ATOM 370 CG GLU A 27 -4.021 -5.857 13.414 1.00 0.00 C ATOM 371 CD GLU A 27 -3.647 -4.440 13.804 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.594 -3.955 13.341 1.00 0.00 O ATOM 373 OE2 GLU A 27 -4.408 -3.817 14.574 1.00 0.00 O ATOM 0 H GLU A 27 -7.042 -6.299 13.219 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.652 -3.976 12.627 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.288 -6.909 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.203 -5.764 11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.576 -6.320 14.230 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.113 -6.443 13.274 1.00 0.00 H new ATOM 380 N LYS A 28 -7.147 -5.308 10.024 1.00 0.00 N ATOM 381 CA LYS A 28 -7.535 -5.070 8.639 1.00 0.00 C ATOM 382 C LYS A 28 -8.418 -3.832 8.526 1.00 0.00 C ATOM 383 O LYS A 28 -8.028 -2.872 7.863 1.00 0.00 O ATOM 384 CB LYS A 28 -8.271 -6.288 8.077 1.00 0.00 C ATOM 385 CG LYS A 28 -8.428 -6.260 6.566 1.00 0.00 C ATOM 386 CD LYS A 28 -9.692 -6.979 6.124 1.00 0.00 C ATOM 387 CE LYS A 28 -9.673 -8.443 6.536 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.493 -9.287 5.623 1.00 0.00 N ATOM 0 H LYS A 28 -7.582 -6.127 10.448 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.628 -4.902 8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.731 -7.191 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.258 -6.349 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.457 -5.226 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.560 -6.727 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.562 -6.488 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.794 -6.906 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.645 -8.806 6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.049 -8.539 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.454 -10.278 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.479 -8.957 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.119 -9.216 4.655 1.00 0.00 H new ATOM 402 N HIS A 29 -9.575 -3.878 9.170 1.00 0.00 N ATOM 403 CA HIS A 29 -10.497 -2.755 9.135 1.00 0.00 C ATOM 404 C HIS A 29 -9.720 -1.448 9.308 1.00 0.00 C ATOM 405 O HIS A 29 -10.047 -0.413 8.727 1.00 0.00 O ATOM 406 CB HIS A 29 -11.605 -2.928 10.175 1.00 0.00 C ATOM 407 CG HIS A 29 -12.560 -4.059 9.873 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.898 -4.024 10.225 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.356 -5.254 9.249 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.464 -5.153 9.826 1.00 0.00 C ATOM 411 NE2 HIS A 29 -13.507 -5.915 9.222 1.00 0.00 N ATOM 0 H HIS A 29 -9.895 -4.676 9.719 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.993 -2.717 8.165 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.150 -3.101 11.150 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -12.170 -1.999 10.247 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.417 -5.604 8.845 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.502 -5.423 9.956 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.652 -6.840 8.817 1.00 0.00 H new ATOM 419 N SER A 30 -8.676 -1.520 10.127 1.00 0.00 N ATOM 420 CA SER A 30 -7.837 -0.358 10.400 1.00 0.00 C ATOM 421 C SER A 30 -7.181 0.150 9.120 1.00 0.00 C ATOM 422 O SER A 30 -7.096 1.356 8.889 1.00 0.00 O ATOM 423 CB SER A 30 -6.764 -0.709 11.432 1.00 0.00 C ATOM 424 OG SER A 30 -7.333 -0.890 12.718 1.00 0.00 O ATOM 0 H SER A 30 -8.391 -2.370 10.613 1.00 0.00 H new ATOM 0 HA SER A 30 -8.472 0.432 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.247 -1.619 11.128 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.018 0.084 11.469 1.00 0.00 H new ATOM 0 HG SER A 30 -7.763 -1.769 12.765 1.00 0.00 H new ATOM 430 N MET A 31 -6.717 -0.780 8.291 1.00 0.00 N ATOM 431 CA MET A 31 -6.069 -0.427 7.033 1.00 0.00 C ATOM 432 C MET A 31 -7.067 0.199 6.064 1.00 0.00 C ATOM 433 O MET A 31 -6.863 1.314 5.584 1.00 0.00 O ATOM 434 CB MET A 31 -5.431 -1.664 6.398 1.00 0.00 C ATOM 435 CG MET A 31 -4.538 -2.443 7.350 1.00 0.00 C ATOM 436 SD MET A 31 -4.196 -4.116 6.769 1.00 0.00 S ATOM 437 CE MET A 31 -2.569 -3.899 6.052 1.00 0.00 C ATOM 0 H MET A 31 -6.778 -1.783 8.468 1.00 0.00 H new ATOM 0 HA MET A 31 -5.290 0.305 7.248 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.219 -2.322 6.032 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.845 -1.356 5.532 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.597 -1.908 7.479 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.014 -2.493 8.329 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.353 -4.731 5.381 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.540 -2.964 5.492 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.823 -3.870 6.846 1.00 0.00 H new ATOM 447 N GLU A 32 -8.145 -0.526 5.781 1.00 0.00 N ATOM 448 CA GLU A 32 -9.173 -0.040 4.868 1.00 0.00 C ATOM 449 C GLU A 32 -9.480 1.431 5.128 1.00 0.00 C ATOM 450 O GLU A 32 -9.242 2.285 4.274 1.00 0.00 O ATOM 451 CB GLU A 32 -10.449 -0.873 5.012 1.00 0.00 C ATOM 452 CG GLU A 32 -10.291 -2.313 4.554 1.00 0.00 C ATOM 453 CD GLU A 32 -11.605 -3.069 4.545 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.543 -2.636 5.246 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.696 -4.094 3.837 1.00 0.00 O ATOM 0 H GLU A 32 -8.329 -1.451 6.170 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.796 -0.140 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.762 -0.865 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.246 -0.403 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.861 -2.327 3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.586 -2.824 5.210 1.00 0.00 H new ATOM 462 N GLU A 33 -10.011 1.719 6.312 1.00 0.00 N ATOM 463 CA GLU A 33 -10.353 3.087 6.683 1.00 0.00 C ATOM 464 C GLU A 33 -9.227 4.048 6.313 1.00 0.00 C ATOM 465 O GLU A 33 -9.467 5.106 5.732 1.00 0.00 O ATOM 466 CB GLU A 33 -10.641 3.175 8.184 1.00 0.00 C ATOM 467 CG GLU A 33 -11.993 2.605 8.579 1.00 0.00 C ATOM 468 CD GLU A 33 -13.118 3.610 8.420 1.00 0.00 C ATOM 469 OE1 GLU A 33 -12.917 4.787 8.788 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.198 3.220 7.930 1.00 0.00 O ATOM 0 H GLU A 33 -10.214 1.024 7.030 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.248 3.373 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.859 2.644 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.592 4.219 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.206 1.727 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.953 2.270 9.616 1.00 0.00 H new ATOM 477 N MET A 34 -7.999 3.672 6.654 1.00 0.00 N ATOM 478 CA MET A 34 -6.836 4.500 6.357 1.00 0.00 C ATOM 479 C MET A 34 -6.727 4.767 4.860 1.00 0.00 C ATOM 480 O MET A 34 -6.755 5.917 4.419 1.00 0.00 O ATOM 481 CB MET A 34 -5.560 3.824 6.861 1.00 0.00 C ATOM 482 CG MET A 34 -4.328 4.711 6.778 1.00 0.00 C ATOM 483 SD MET A 34 -4.132 5.764 8.228 1.00 0.00 S ATOM 484 CE MET A 34 -3.517 4.581 9.425 1.00 0.00 C ATOM 0 H MET A 34 -7.783 2.799 7.136 1.00 0.00 H new ATOM 0 HA MET A 34 -6.960 5.454 6.870 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.707 3.516 7.896 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.385 2.918 6.281 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.442 4.086 6.665 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.394 5.335 5.887 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.054 4.703 10.366 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.670 3.570 9.048 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.453 4.750 9.590 1.00 0.00 H new ATOM 494 N THR A 35 -6.603 3.698 4.080 1.00 0.00 N ATOM 495 CA THR A 35 -6.488 3.817 2.632 1.00 0.00 C ATOM 496 C THR A 35 -7.365 4.946 2.102 1.00 0.00 C ATOM 497 O THR A 35 -6.951 5.707 1.228 1.00 0.00 O ATOM 498 CB THR A 35 -6.879 2.504 1.927 1.00 0.00 C ATOM 499 OG1 THR A 35 -5.837 1.535 2.084 1.00 0.00 O ATOM 500 CG2 THR A 35 -7.140 2.741 0.447 1.00 0.00 C ATOM 0 H THR A 35 -6.580 2.739 4.427 1.00 0.00 H new ATOM 0 HA THR A 35 -5.443 4.040 2.415 1.00 0.00 H new ATOM 0 HB THR A 35 -7.794 2.130 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.094 0.703 1.635 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.414 1.800 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.954 3.457 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.239 3.136 -0.023 1.00 0.00 H new ATOM 508 N GLU A 36 -8.578 5.048 2.637 1.00 0.00 N ATOM 509 CA GLU A 36 -9.512 6.085 2.216 1.00 0.00 C ATOM 510 C GLU A 36 -9.025 7.465 2.648 1.00 0.00 C ATOM 511 O GLU A 36 -9.032 8.411 1.861 1.00 0.00 O ATOM 512 CB GLU A 36 -10.902 5.817 2.799 1.00 0.00 C ATOM 513 CG GLU A 36 -11.777 4.949 1.911 1.00 0.00 C ATOM 514 CD GLU A 36 -12.493 5.746 0.839 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.069 6.803 1.172 1.00 0.00 O ATOM 516 OE2 GLU A 36 -12.478 5.314 -0.333 1.00 0.00 O ATOM 0 H GLU A 36 -8.936 4.426 3.362 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.571 6.064 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.793 5.334 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.404 6.769 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.162 4.183 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.513 4.432 2.527 1.00 0.00 H new ATOM 523 N MET A 37 -8.602 7.570 3.904 1.00 0.00 N ATOM 524 CA MET A 37 -8.111 8.834 4.440 1.00 0.00 C ATOM 525 C MET A 37 -6.930 9.348 3.624 1.00 0.00 C ATOM 526 O MET A 37 -6.803 10.550 3.389 1.00 0.00 O ATOM 527 CB MET A 37 -7.699 8.665 5.904 1.00 0.00 C ATOM 528 CG MET A 37 -8.873 8.447 6.845 1.00 0.00 C ATOM 529 SD MET A 37 -8.383 7.680 8.401 1.00 0.00 S ATOM 530 CE MET A 37 -7.075 8.786 8.927 1.00 0.00 C ATOM 0 H MET A 37 -8.589 6.796 4.568 1.00 0.00 H new ATOM 0 HA MET A 37 -8.918 9.564 4.378 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.017 7.819 5.985 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.148 9.550 6.222 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.351 9.405 7.051 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.616 7.819 6.353 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.852 8.612 9.980 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.181 8.601 8.332 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.395 9.819 8.790 1.00 0.00 H new ATOM 540 N GLN A 38 -6.069 8.432 3.194 1.00 0.00 N ATOM 541 CA GLN A 38 -4.898 8.795 2.405 1.00 0.00 C ATOM 542 C GLN A 38 -5.305 9.278 1.017 1.00 0.00 C ATOM 543 O GLN A 38 -4.883 10.344 0.571 1.00 0.00 O ATOM 544 CB GLN A 38 -3.948 7.602 2.284 1.00 0.00 C ATOM 545 CG GLN A 38 -3.418 7.108 3.621 1.00 0.00 C ATOM 546 CD GLN A 38 -3.041 8.241 4.554 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.421 9.221 4.140 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.415 8.114 5.822 1.00 0.00 N ATOM 0 H GLN A 38 -6.160 7.433 3.379 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.385 9.609 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.467 6.784 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.107 7.881 1.650 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.174 6.485 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.546 6.477 3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.928 7.285 6.122 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.190 8.846 6.496 1.00 0.00 H new ATOM 557 N GLY A 39 -6.129 8.485 0.338 1.00 0.00 N ATOM 558 CA GLY A 39 -6.580 8.849 -0.993 1.00 0.00 C ATOM 559 C GLY A 39 -6.727 7.646 -1.904 1.00 0.00 C ATOM 560 O GLY A 39 -6.428 7.721 -3.095 1.00 0.00 O ATOM 0 H GLY A 39 -6.492 7.597 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.537 9.365 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.872 9.551 -1.434 1.00 0.00 H new ATOM 564 N GLY A 40 -7.188 6.533 -1.342 1.00 0.00 N ATOM 565 CA GLY A 40 -7.365 5.324 -2.126 1.00 0.00 C ATOM 566 C GLY A 40 -8.515 4.472 -1.628 1.00 0.00 C ATOM 567 O GLY A 40 -9.052 4.713 -0.546 1.00 0.00 O ATOM 0 H GLY A 40 -7.442 6.447 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.541 5.593 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.446 4.739 -2.099 1.00 0.00 H new ATOM 571 N SER A 41 -8.896 3.474 -2.418 1.00 0.00 N ATOM 572 CA SER A 41 -9.994 2.587 -2.053 1.00 0.00 C ATOM 573 C SER A 41 -9.467 1.230 -1.596 1.00 0.00 C ATOM 574 O SER A 41 -8.269 0.959 -1.673 1.00 0.00 O ATOM 575 CB SER A 41 -10.945 2.405 -3.238 1.00 0.00 C ATOM 576 OG SER A 41 -11.809 3.520 -3.374 1.00 0.00 O ATOM 0 H SER A 41 -8.461 3.259 -3.315 1.00 0.00 H new ATOM 0 HA SER A 41 -10.538 3.043 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.369 2.273 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.535 1.499 -3.099 1.00 0.00 H new ATOM 0 HG SER A 41 -12.405 3.380 -4.139 1.00 0.00 H new ATOM 582 N TYR A 42 -10.372 0.381 -1.121 1.00 0.00 N ATOM 583 CA TYR A 42 -9.999 -0.947 -0.648 1.00 0.00 C ATOM 584 C TYR A 42 -11.035 -1.985 -1.068 1.00 0.00 C ATOM 585 O TYR A 42 -12.241 -1.749 -0.977 1.00 0.00 O ATOM 586 CB TYR A 42 -9.850 -0.947 0.874 1.00 0.00 C ATOM 587 CG TYR A 42 -11.081 -0.460 1.603 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.183 -1.289 1.777 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.143 0.829 2.119 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.310 -0.848 2.443 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.266 1.278 2.787 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.347 0.436 2.946 1.00 0.00 C ATOM 593 OH TYR A 42 -14.468 0.878 3.610 1.00 0.00 O ATOM 0 H TYR A 42 -11.368 0.589 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.043 -1.210 -1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.617 -1.958 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.003 -0.318 1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.158 -2.295 1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.299 1.491 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.158 -1.505 2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.297 2.283 3.182 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.332 1.804 3.902 1.00 0.00 H new ATOM 603 N LEU A 43 -10.557 -3.136 -1.529 1.00 0.00 N ATOM 604 CA LEU A 43 -11.441 -4.212 -1.963 1.00 0.00 C ATOM 605 C LEU A 43 -11.079 -5.525 -1.275 1.00 0.00 C ATOM 606 O LEU A 43 -9.963 -5.712 -0.789 1.00 0.00 O ATOM 607 CB LEU A 43 -11.363 -4.381 -3.482 1.00 0.00 C ATOM 608 CG LEU A 43 -12.304 -3.499 -4.304 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.824 -3.404 -5.744 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.726 -4.038 -4.248 1.00 0.00 C ATOM 0 H LEU A 43 -9.563 -3.348 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.461 -3.946 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.340 -4.179 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.571 -5.423 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.300 -2.497 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.506 -2.773 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.824 -2.971 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.798 -4.400 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.381 -3.398 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.748 -5.050 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.069 -4.053 -3.213 1.00 0.00 H new ATOM 622 N PRO A 44 -12.042 -6.457 -1.235 1.00 0.00 N ATOM 623 CA PRO A 44 -11.847 -7.770 -0.612 1.00 0.00 C ATOM 624 C PRO A 44 -10.890 -8.652 -1.406 1.00 0.00 C ATOM 625 O PRO A 44 -10.833 -8.576 -2.633 1.00 0.00 O ATOM 626 CB PRO A 44 -13.254 -8.373 -0.609 1.00 0.00 C ATOM 627 CG PRO A 44 -13.959 -7.695 -1.732 1.00 0.00 C ATOM 628 CD PRO A 44 -13.395 -6.302 -1.795 1.00 0.00 C ATOM 0 HA PRO A 44 -11.401 -7.689 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.222 -9.453 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.759 -8.195 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.797 -8.224 -2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.035 -7.673 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.366 -5.926 -2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.993 -5.600 -1.214 1.00 0.00 H new ATOM 636 N VAL A 45 -10.140 -9.491 -0.698 1.00 0.00 N ATOM 637 CA VAL A 45 -9.187 -10.389 -1.337 1.00 0.00 C ATOM 638 C VAL A 45 -9.866 -11.248 -2.398 1.00 0.00 C ATOM 639 O VAL A 45 -11.050 -11.565 -2.290 1.00 0.00 O ATOM 640 CB VAL A 45 -8.505 -11.310 -0.307 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.480 -12.205 -0.986 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.859 -10.487 0.797 1.00 0.00 C ATOM 0 H VAL A 45 -10.175 -9.567 0.319 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.431 -9.762 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.265 -11.948 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.009 -12.848 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.975 -12.821 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.720 -11.589 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.382 -11.153 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.110 -9.823 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.621 -9.894 1.302 1.00 0.00 H new ATOM 652 N GLY A 46 -9.108 -11.621 -3.424 1.00 0.00 N ATOM 653 CA GLY A 46 -9.654 -12.440 -4.490 1.00 0.00 C ATOM 654 C GLY A 46 -10.059 -11.622 -5.700 1.00 0.00 C ATOM 655 O GLY A 46 -9.739 -11.978 -6.834 1.00 0.00 O ATOM 0 H GLY A 46 -8.126 -11.371 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.914 -13.183 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.521 -12.985 -4.117 1.00 0.00 H new ATOM 659 N ASP A 47 -10.767 -10.524 -5.459 1.00 0.00 N ATOM 660 CA ASP A 47 -11.218 -9.653 -6.538 1.00 0.00 C ATOM 661 C ASP A 47 -10.083 -9.369 -7.518 1.00 0.00 C ATOM 662 O ASP A 47 -8.925 -9.684 -7.248 1.00 0.00 O ATOM 663 CB ASP A 47 -11.759 -8.340 -5.970 1.00 0.00 C ATOM 664 CG ASP A 47 -12.585 -7.569 -6.981 1.00 0.00 C ATOM 665 OD1 ASP A 47 -13.198 -8.210 -7.860 1.00 0.00 O ATOM 666 OD2 ASP A 47 -12.619 -6.324 -6.892 1.00 0.00 O ATOM 0 H ASP A 47 -11.041 -10.216 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.017 -10.164 -7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.369 -8.551 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.926 -7.721 -5.638 1.00 0.00 H new ATOM 671 N GLU A 48 -10.425 -8.772 -8.655 1.00 0.00 N ATOM 672 CA GLU A 48 -9.435 -8.448 -9.675 1.00 0.00 C ATOM 673 C GLU A 48 -9.244 -6.938 -9.788 1.00 0.00 C ATOM 674 O GLU A 48 -8.145 -6.460 -10.069 1.00 0.00 O ATOM 675 CB GLU A 48 -9.857 -9.022 -11.029 1.00 0.00 C ATOM 676 CG GLU A 48 -11.104 -8.372 -11.604 1.00 0.00 C ATOM 677 CD GLU A 48 -11.335 -8.736 -13.057 1.00 0.00 C ATOM 678 OE1 GLU A 48 -10.664 -8.147 -13.930 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.187 -9.610 -13.322 1.00 0.00 O ATOM 0 H GLU A 48 -11.380 -8.503 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.487 -8.896 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.036 -8.903 -11.736 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.032 -10.092 -10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.971 -8.674 -11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.019 -7.289 -11.514 1.00 0.00 H new ATOM 686 N ARG A 49 -10.322 -6.193 -9.567 1.00 0.00 N ATOM 687 CA ARG A 49 -10.275 -4.738 -9.645 1.00 0.00 C ATOM 688 C ARG A 49 -9.137 -4.185 -8.792 1.00 0.00 C ATOM 689 O ARG A 49 -8.727 -3.035 -8.957 1.00 0.00 O ATOM 690 CB ARG A 49 -11.606 -4.138 -9.190 1.00 0.00 C ATOM 691 CG ARG A 49 -12.691 -4.185 -10.254 1.00 0.00 C ATOM 692 CD ARG A 49 -14.078 -4.241 -9.633 1.00 0.00 C ATOM 693 NE ARG A 49 -14.339 -3.089 -8.774 1.00 0.00 N ATOM 694 CZ ARG A 49 -14.771 -1.917 -9.226 1.00 0.00 C ATOM 695 NH1 ARG A 49 -14.988 -1.742 -10.522 1.00 0.00 N ATOM 696 NH2 ARG A 49 -14.986 -0.917 -8.381 1.00 0.00 N ATOM 0 H ARG A 49 -11.239 -6.573 -9.332 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.096 -4.460 -10.684 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.953 -4.673 -8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.445 -3.102 -8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.613 -3.306 -10.894 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.541 -5.057 -10.890 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.828 -4.281 -10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.178 -5.157 -9.051 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.181 -3.190 -7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.823 -2.508 -11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.320 -0.841 -10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.820 -1.048 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.318 -0.017 -8.729 1.00 0.00 H new ATOM 710 N CYS A 50 -8.633 -5.009 -7.880 1.00 0.00 N ATOM 711 CA CYS A 50 -7.544 -4.601 -7.000 1.00 0.00 C ATOM 712 C CYS A 50 -6.244 -4.442 -7.782 1.00 0.00 C ATOM 713 O CYS A 50 -5.905 -5.277 -8.621 1.00 0.00 O ATOM 714 CB CYS A 50 -7.357 -5.624 -5.878 1.00 0.00 C ATOM 715 SG CYS A 50 -7.104 -7.318 -6.459 1.00 0.00 S ATOM 0 H CYS A 50 -8.961 -5.963 -7.731 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.804 -3.637 -6.563 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.502 -5.328 -5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.233 -5.601 -5.230 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.239 -7.951 -6.459 1.00 0.00 H new ATOM 721 N THR A 51 -5.519 -3.363 -7.502 1.00 0.00 N ATOM 722 CA THR A 51 -4.258 -3.093 -8.180 1.00 0.00 C ATOM 723 C THR A 51 -3.072 -3.545 -7.336 1.00 0.00 C ATOM 724 O THR A 51 -2.112 -4.083 -7.887 1.00 0.00 O ATOM 725 CB THR A 51 -4.104 -1.594 -8.501 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.241 -0.820 -7.305 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.141 -1.149 -9.521 1.00 0.00 C ATOM 0 H THR A 51 -5.784 -2.662 -6.810 1.00 0.00 H new ATOM 0 HA THR A 51 -4.272 -3.658 -9.112 1.00 0.00 H new ATOM 0 HB THR A 51 -3.112 -1.436 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.368 -0.737 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.012 -0.087 -9.731 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.014 -1.719 -10.441 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.141 -1.321 -9.122 1.00 0.00 H new ATOM 735 N HIS A 52 -3.161 -3.321 -6.033 1.00 0.00 N ATOM 736 CA HIS A 52 -2.090 -3.710 -5.132 1.00 0.00 C ATOM 737 C HIS A 52 -2.596 -4.787 -4.170 1.00 0.00 C ATOM 738 O HIS A 52 -3.751 -4.793 -3.744 1.00 0.00 O ATOM 739 CB HIS A 52 -1.518 -2.490 -4.409 1.00 0.00 C ATOM 740 CG HIS A 52 -0.784 -1.529 -5.312 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.415 -0.806 -6.310 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.534 -1.178 -5.358 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.509 -0.059 -6.923 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.698 -0.291 -6.332 1.00 0.00 N ATOM 0 H HIS A 52 -3.959 -2.875 -5.580 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.267 -4.139 -5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.332 -1.959 -3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.838 -2.829 -3.628 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.312 -1.557 -4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.694 0.615 -7.746 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.582 0.145 -6.595 1.00 0.00 H new ATOM 752 N LEU A 53 -1.697 -5.706 -3.833 1.00 0.00 N ATOM 753 CA LEU A 53 -2.024 -6.799 -2.924 1.00 0.00 C ATOM 754 C LEU A 53 -1.049 -6.841 -1.751 1.00 0.00 C ATOM 755 O LEU A 53 0.139 -7.111 -1.928 1.00 0.00 O ATOM 756 CB LEU A 53 -2.000 -8.134 -3.670 1.00 0.00 C ATOM 757 CG LEU A 53 -2.067 -9.390 -2.801 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.108 -9.225 -1.704 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.377 -10.612 -3.653 1.00 0.00 C ATOM 0 H LEU A 53 -0.736 -5.716 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.027 -6.627 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.838 -8.153 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.089 -8.178 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.094 -9.536 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.142 -10.129 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.843 -8.374 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.086 -9.054 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.421 -11.497 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.337 -10.475 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.595 -10.741 -4.402 1.00 0.00 H new ATOM 771 N ILE A 54 -1.561 -6.576 -0.554 1.00 0.00 N ATOM 772 CA ILE A 54 -0.736 -6.587 0.648 1.00 0.00 C ATOM 773 C ILE A 54 -1.024 -7.818 1.501 1.00 0.00 C ATOM 774 O ILE A 54 -2.049 -7.891 2.179 1.00 0.00 O ATOM 775 CB ILE A 54 -0.963 -5.323 1.498 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.518 -4.078 0.729 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.216 -5.432 2.819 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.593 -3.506 -0.169 1.00 0.00 C ATOM 0 H ILE A 54 -2.542 -6.351 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 54 0.303 -6.611 0.318 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.028 -5.233 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.206 -3.314 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.355 -4.327 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.386 -4.531 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.577 -6.300 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.851 -5.543 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.207 -2.625 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.889 -4.254 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.458 -3.226 0.432 1.00 0.00 H new ATOM 790 N VAL A 55 -0.112 -8.784 1.463 1.00 0.00 N ATOM 791 CA VAL A 55 -0.266 -10.011 2.235 1.00 0.00 C ATOM 792 C VAL A 55 0.702 -10.045 3.412 1.00 0.00 C ATOM 793 O VAL A 55 1.802 -9.499 3.339 1.00 0.00 O ATOM 794 CB VAL A 55 -0.036 -11.257 1.359 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.287 -11.151 0.616 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.081 -12.520 2.206 1.00 0.00 C ATOM 0 H VAL A 55 0.741 -8.741 0.906 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.289 -10.023 2.610 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.836 -11.313 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.432 -12.040 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.276 -10.268 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.102 -11.069 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.083 -13.390 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.697 -12.475 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.056 -12.601 2.687 1.00 0.00 H new ATOM 806 N GLU A 56 0.285 -10.692 4.496 1.00 0.00 N ATOM 807 CA GLU A 56 1.116 -10.797 5.690 1.00 0.00 C ATOM 808 C GLU A 56 2.168 -11.890 5.525 1.00 0.00 C ATOM 809 O GLU A 56 1.852 -13.078 5.555 1.00 0.00 O ATOM 810 CB GLU A 56 0.250 -11.088 6.917 1.00 0.00 C ATOM 811 CG GLU A 56 1.046 -11.234 8.203 1.00 0.00 C ATOM 812 CD GLU A 56 0.228 -10.905 9.436 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.769 -11.612 9.694 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.584 -9.940 10.144 1.00 0.00 O ATOM 0 H GLU A 56 -0.623 -11.151 4.572 1.00 0.00 H new ATOM 0 HA GLU A 56 1.626 -9.844 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.476 -10.284 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.315 -12.004 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.419 -12.255 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.916 -10.579 8.164 1.00 0.00 H new ATOM 821 N GLU A 57 3.420 -11.477 5.351 1.00 0.00 N ATOM 822 CA GLU A 57 4.518 -12.420 5.181 1.00 0.00 C ATOM 823 C GLU A 57 5.044 -12.893 6.534 1.00 0.00 C ATOM 824 O GLU A 57 6.215 -13.245 6.667 1.00 0.00 O ATOM 825 CB GLU A 57 5.651 -11.779 4.377 1.00 0.00 C ATOM 826 CG GLU A 57 6.303 -10.599 5.078 1.00 0.00 C ATOM 827 CD GLU A 57 7.444 -11.018 5.985 1.00 0.00 C ATOM 828 OE1 GLU A 57 8.146 -11.993 5.644 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.636 -10.369 7.035 1.00 0.00 O ATOM 0 H GLU A 57 3.698 -10.496 5.324 1.00 0.00 H new ATOM 0 HA GLU A 57 4.139 -13.284 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.411 -12.533 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.260 -11.448 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.676 -9.898 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.552 -10.070 5.665 1.00 0.00 H new ATOM 836 N ASN A 58 4.169 -12.896 7.534 1.00 0.00 N ATOM 837 CA ASN A 58 4.545 -13.324 8.877 1.00 0.00 C ATOM 838 C ASN A 58 3.797 -14.594 9.272 1.00 0.00 C ATOM 839 O ASN A 58 4.266 -15.370 10.105 1.00 0.00 O ATOM 840 CB ASN A 58 4.256 -12.213 9.888 1.00 0.00 C ATOM 841 CG ASN A 58 5.398 -11.221 10.000 1.00 0.00 C ATOM 842 OD1 ASN A 58 5.743 -10.588 8.885 1.00 0.00 O flip ATOM 843 ND2 ASN A 58 5.963 -11.027 11.076 1.00 0.00 N flip ATOM 0 H ASN A 58 3.195 -12.607 7.440 1.00 0.00 H new ATOM 0 HA ASN A 58 5.614 -13.538 8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.348 -11.686 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.066 -12.656 10.866 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.664 -11.536 11.908 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.730 -10.357 11.136 1.00 0.00 H new ATOM 850 N THR A 59 2.631 -14.800 8.668 1.00 0.00 N ATOM 851 CA THR A 59 1.818 -15.974 8.957 1.00 0.00 C ATOM 852 C THR A 59 1.385 -16.672 7.673 1.00 0.00 C ATOM 853 O THR A 59 1.241 -17.894 7.636 1.00 0.00 O ATOM 854 CB THR A 59 0.566 -15.604 9.774 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.100 -16.792 10.216 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.390 -14.759 8.946 1.00 0.00 C ATOM 0 H THR A 59 2.229 -14.169 7.975 1.00 0.00 H new ATOM 0 HA THR A 59 2.438 -16.651 9.544 1.00 0.00 H new ATOM 0 HB THR A 59 0.883 -15.023 10.640 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.894 -16.548 10.736 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.267 -14.510 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.110 -13.842 8.636 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.700 -15.319 8.064 1.00 0.00 H new ATOM 864 N VAL A 60 1.178 -15.888 6.619 1.00 0.00 N ATOM 865 CA VAL A 60 0.763 -16.432 5.331 1.00 0.00 C ATOM 866 C VAL A 60 1.915 -17.155 4.643 1.00 0.00 C ATOM 867 O VAL A 60 3.085 -16.864 4.894 1.00 0.00 O ATOM 868 CB VAL A 60 0.236 -15.325 4.399 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.240 -15.918 3.082 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.881 -14.545 5.076 1.00 0.00 C ATOM 0 H VAL A 60 1.291 -14.874 6.632 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.040 -17.142 5.530 1.00 0.00 H new ATOM 0 HB VAL A 60 1.052 -14.635 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.609 -15.121 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.589 -16.428 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.042 -16.631 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.241 -13.767 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.700 -15.221 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.503 -14.087 5.990 1.00 0.00 H new ATOM 880 N LYS A 61 1.577 -18.100 3.772 1.00 0.00 N ATOM 881 CA LYS A 61 2.582 -18.866 3.045 1.00 0.00 C ATOM 882 C LYS A 61 2.241 -18.937 1.559 1.00 0.00 C ATOM 883 O LYS A 61 3.055 -18.577 0.709 1.00 0.00 O ATOM 884 CB LYS A 61 2.692 -20.279 3.621 1.00 0.00 C ATOM 885 CG LYS A 61 3.660 -20.387 4.787 1.00 0.00 C ATOM 886 CD LYS A 61 5.099 -20.196 4.336 1.00 0.00 C ATOM 887 CE LYS A 61 6.081 -20.743 5.360 1.00 0.00 C ATOM 888 NZ LYS A 61 7.494 -20.492 4.963 1.00 0.00 N ATOM 0 H LYS A 61 0.614 -18.354 3.552 1.00 0.00 H new ATOM 0 HA LYS A 61 3.540 -18.359 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.705 -20.607 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.010 -20.960 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.411 -19.638 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.553 -21.363 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.251 -20.697 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.293 -19.136 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.889 -20.283 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.922 -21.815 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.132 -20.880 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.685 -20.952 4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.653 -19.468 4.874 1.00 0.00 H new ATOM 902 N ASP A 62 1.035 -19.401 1.255 1.00 0.00 N ATOM 903 CA ASP A 62 0.586 -19.516 -0.128 1.00 0.00 C ATOM 904 C ASP A 62 -0.740 -18.791 -0.331 1.00 0.00 C ATOM 905 O ASP A 62 -1.651 -18.898 0.492 1.00 0.00 O ATOM 906 CB ASP A 62 0.442 -20.988 -0.519 1.00 0.00 C ATOM 907 CG ASP A 62 -0.229 -21.811 0.563 1.00 0.00 C ATOM 908 OD1 ASP A 62 -1.476 -21.879 0.569 1.00 0.00 O ATOM 909 OD2 ASP A 62 0.492 -22.388 1.404 1.00 0.00 O ATOM 0 H ASP A 62 0.350 -19.704 1.947 1.00 0.00 H new ATOM 0 HA ASP A 62 1.336 -19.050 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.137 -21.062 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.428 -21.403 -0.729 1.00 0.00 H new ATOM 914 N LEU A 63 -0.843 -18.053 -1.431 1.00 0.00 N ATOM 915 CA LEU A 63 -2.058 -17.308 -1.742 1.00 0.00 C ATOM 916 C LEU A 63 -3.227 -18.255 -1.993 1.00 0.00 C ATOM 917 O LEU A 63 -3.072 -19.333 -2.566 1.00 0.00 O ATOM 918 CB LEU A 63 -1.835 -16.418 -2.966 1.00 0.00 C ATOM 919 CG LEU A 63 -0.853 -15.260 -2.785 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.464 -14.673 -4.133 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.454 -14.188 -1.887 1.00 0.00 C ATOM 0 H LEU A 63 -0.100 -17.955 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.300 -16.681 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.481 -17.044 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.797 -16.007 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 63 0.048 -15.644 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.235 -13.850 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.007 -15.444 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.355 -14.304 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.742 -13.371 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.371 -13.808 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.680 -14.616 -0.911 1.00 0.00 H new ATOM 933 N PRO A 64 -4.427 -17.843 -1.557 1.00 0.00 N ATOM 934 CA PRO A 64 -5.646 -18.638 -1.726 1.00 0.00 C ATOM 935 C PRO A 64 -6.093 -18.713 -3.182 1.00 0.00 C ATOM 936 O PRO A 64 -6.762 -19.663 -3.589 1.00 0.00 O ATOM 937 CB PRO A 64 -6.681 -17.883 -0.888 1.00 0.00 C ATOM 938 CG PRO A 64 -6.186 -16.478 -0.850 1.00 0.00 C ATOM 939 CD PRO A 64 -4.685 -16.568 -0.866 1.00 0.00 C ATOM 0 HA PRO A 64 -5.502 -19.674 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.673 -17.941 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.760 -18.302 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.552 -15.912 -1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.537 -15.965 0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.238 -15.727 -1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.272 -16.567 0.143 1.00 0.00 H new ATOM 947 N PHE A 65 -5.717 -17.706 -3.964 1.00 0.00 N ATOM 948 CA PHE A 65 -6.080 -17.658 -5.376 1.00 0.00 C ATOM 949 C PHE A 65 -4.852 -17.398 -6.244 1.00 0.00 C ATOM 950 O PHE A 65 -3.748 -17.206 -5.734 1.00 0.00 O ATOM 951 CB PHE A 65 -7.128 -16.570 -5.618 1.00 0.00 C ATOM 952 CG PHE A 65 -6.564 -15.178 -5.600 1.00 0.00 C ATOM 953 CD1 PHE A 65 -6.056 -14.638 -4.430 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.542 -14.410 -6.753 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.535 -13.357 -4.410 1.00 0.00 C ATOM 956 CE2 PHE A 65 -6.023 -13.130 -6.739 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.520 -12.602 -5.566 1.00 0.00 C ATOM 0 H PHE A 65 -5.161 -16.913 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.500 -18.626 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.607 -16.747 -6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.904 -16.649 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.067 -15.224 -3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.935 -14.817 -7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.141 -12.948 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.011 -12.542 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.116 -11.601 -5.553 1.00 0.00 H new ATOM 967 N GLU A 66 -5.053 -17.395 -7.558 1.00 0.00 N ATOM 968 CA GLU A 66 -3.962 -17.161 -8.497 1.00 0.00 C ATOM 969 C GLU A 66 -4.101 -15.795 -9.163 1.00 0.00 C ATOM 970 O GLU A 66 -4.673 -15.660 -10.245 1.00 0.00 O ATOM 971 CB GLU A 66 -3.931 -18.259 -9.561 1.00 0.00 C ATOM 972 CG GLU A 66 -2.562 -18.462 -10.188 1.00 0.00 C ATOM 973 CD GLU A 66 -2.619 -19.284 -11.461 1.00 0.00 C ATOM 974 OE1 GLU A 66 -3.481 -18.995 -12.317 1.00 0.00 O ATOM 975 OE2 GLU A 66 -1.800 -20.217 -11.601 1.00 0.00 O ATOM 0 H GLU A 66 -5.961 -17.552 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.026 -17.180 -7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.258 -19.197 -9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.647 -18.014 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.119 -17.490 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.907 -18.956 -9.470 1.00 0.00 H new ATOM 982 N PRO A 67 -3.567 -14.758 -8.502 1.00 0.00 N ATOM 983 CA PRO A 67 -3.618 -13.384 -9.011 1.00 0.00 C ATOM 984 C PRO A 67 -2.732 -13.186 -10.236 1.00 0.00 C ATOM 985 O PRO A 67 -1.630 -13.728 -10.311 1.00 0.00 O ATOM 986 CB PRO A 67 -3.099 -12.551 -7.836 1.00 0.00 C ATOM 987 CG PRO A 67 -2.242 -13.488 -7.056 1.00 0.00 C ATOM 988 CD PRO A 67 -2.870 -14.846 -7.208 1.00 0.00 C ATOM 0 HA PRO A 67 -4.620 -13.108 -9.338 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.529 -11.689 -8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.920 -12.167 -7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.219 -13.487 -7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.196 -13.194 -6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.120 -15.637 -7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.561 -15.062 -6.393 1.00 0.00 H new ATOM 996 N SER A 68 -3.222 -12.405 -11.194 1.00 0.00 N ATOM 997 CA SER A 68 -2.476 -12.138 -12.418 1.00 0.00 C ATOM 998 C SER A 68 -1.208 -11.345 -12.120 1.00 0.00 C ATOM 999 O SER A 68 -1.149 -10.586 -11.152 1.00 0.00 O ATOM 1000 CB SER A 68 -3.347 -11.372 -13.415 1.00 0.00 C ATOM 1001 OG SER A 68 -4.436 -12.166 -13.856 1.00 0.00 O ATOM 0 H SER A 68 -4.132 -11.946 -11.146 1.00 0.00 H new ATOM 0 HA SER A 68 -2.191 -13.095 -12.855 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.722 -10.461 -12.950 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.744 -11.068 -14.271 1.00 0.00 H new ATOM 0 HG SER A 68 -5.238 -11.608 -13.933 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.193 -11.525 -12.958 1.00 0.00 N ATOM 1008 CA LYS A 69 1.075 -10.827 -12.787 1.00 0.00 C ATOM 1009 C LYS A 69 0.850 -9.331 -12.590 1.00 0.00 C ATOM 1010 O LYS A 69 1.472 -8.708 -11.729 1.00 0.00 O ATOM 1011 CB LYS A 69 1.978 -11.062 -14.000 1.00 0.00 C ATOM 1012 CG LYS A 69 2.563 -12.462 -14.061 1.00 0.00 C ATOM 1013 CD LYS A 69 3.746 -12.614 -13.121 1.00 0.00 C ATOM 1014 CE LYS A 69 4.990 -11.936 -13.675 1.00 0.00 C ATOM 1015 NZ LYS A 69 6.148 -12.057 -12.748 1.00 0.00 N ATOM 0 H LYS A 69 -0.224 -12.150 -13.764 1.00 0.00 H new ATOM 0 HA LYS A 69 1.562 -11.224 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.406 -10.876 -14.909 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.792 -10.338 -13.982 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.795 -13.190 -13.801 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.877 -12.682 -15.081 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.498 -12.184 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.949 -13.673 -12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.247 -12.380 -14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.779 -10.882 -13.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.975 -11.582 -13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.913 -11.611 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.366 -13.062 -12.595 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.043 -8.761 -13.391 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.353 -7.339 -13.303 1.00 0.00 C ATOM 1031 C LYS A 70 -0.436 -6.889 -11.848 1.00 0.00 C ATOM 1032 O LYS A 70 0.155 -5.879 -11.465 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.673 -7.039 -14.017 1.00 0.00 C ATOM 1034 CG LYS A 70 -2.777 -8.030 -13.697 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.026 -7.759 -14.519 1.00 0.00 C ATOM 1036 CE LYS A 70 -3.962 -8.448 -15.874 1.00 0.00 C ATOM 1037 NZ LYS A 70 -4.476 -9.844 -15.811 1.00 0.00 N ATOM 0 H LYS A 70 -0.565 -9.262 -14.109 1.00 0.00 H new ATOM 0 HA LYS A 70 0.450 -6.787 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.005 -6.038 -13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.501 -7.035 -15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.425 -9.043 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.020 -7.975 -12.636 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.904 -8.106 -13.974 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.143 -6.685 -14.661 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.544 -7.879 -16.599 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.931 -8.456 -16.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.682 -10.510 -15.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.960 -9.995 -14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.146 -10.003 -16.591 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.173 -7.645 -11.041 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.332 -7.325 -9.627 1.00 0.00 C ATOM 1053 C LEU A 71 0.010 -7.370 -8.904 1.00 0.00 C ATOM 1054 O LEU A 71 0.735 -8.363 -8.978 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.311 -8.301 -8.970 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.558 -8.099 -7.475 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.517 -6.942 -7.244 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.097 -9.375 -6.846 1.00 0.00 C ATOM 0 H LEU A 71 -1.670 -8.484 -11.342 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.731 -6.313 -9.551 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.267 -8.230 -9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.940 -9.314 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.608 -7.857 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.681 -6.813 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.091 -6.028 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.467 -7.154 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.267 -9.212 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.037 -9.648 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.374 -10.180 -6.979 1.00 0.00 H new ATOM 1070 N PHE A 72 0.335 -6.289 -8.203 1.00 0.00 N ATOM 1071 CA PHE A 72 1.590 -6.204 -7.465 1.00 0.00 C ATOM 1072 C PHE A 72 1.395 -6.625 -6.011 1.00 0.00 C ATOM 1073 O PHE A 72 0.623 -6.012 -5.274 1.00 0.00 O ATOM 1074 CB PHE A 72 2.147 -4.781 -7.525 1.00 0.00 C ATOM 1075 CG PHE A 72 2.593 -4.369 -8.899 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.820 -4.780 -9.396 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.786 -3.572 -9.694 1.00 0.00 C ATOM 1078 CE1 PHE A 72 4.233 -4.402 -10.659 1.00 0.00 C ATOM 1079 CE2 PHE A 72 2.193 -3.191 -10.959 1.00 0.00 C ATOM 1080 CZ PHE A 72 3.418 -3.608 -11.443 1.00 0.00 C ATOM 0 H PHE A 72 -0.254 -5.459 -8.130 1.00 0.00 H new ATOM 0 HA PHE A 72 2.303 -6.885 -7.930 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.384 -4.086 -7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.990 -4.700 -6.839 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.460 -5.403 -8.789 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.827 -3.244 -9.321 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.192 -4.727 -11.033 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.554 -2.568 -11.568 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.738 -3.314 -12.432 1.00 0.00 H new ATOM 1090 N VAL A 73 2.100 -7.677 -5.606 1.00 0.00 N ATOM 1091 CA VAL A 73 2.007 -8.180 -4.241 1.00 0.00 C ATOM 1092 C VAL A 73 3.186 -7.708 -3.399 1.00 0.00 C ATOM 1093 O VAL A 73 4.343 -7.959 -3.735 1.00 0.00 O ATOM 1094 CB VAL A 73 1.953 -9.719 -4.213 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.431 -10.211 -2.872 1.00 0.00 C ATOM 1096 CG2 VAL A 73 1.094 -10.243 -5.354 1.00 0.00 C ATOM 0 H VAL A 73 2.742 -8.197 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 73 1.083 -7.783 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 73 2.965 -10.103 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.400 -11.301 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.091 -9.866 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.427 -9.819 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.067 -11.332 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.081 -9.852 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.517 -9.921 -6.306 1.00 0.00 H new ATOM 1106 N VAL A 74 2.885 -7.022 -2.300 1.00 0.00 N ATOM 1107 CA VAL A 74 3.921 -6.516 -1.408 1.00 0.00 C ATOM 1108 C VAL A 74 3.598 -6.838 0.047 1.00 0.00 C ATOM 1109 O VAL A 74 2.489 -7.266 0.369 1.00 0.00 O ATOM 1110 CB VAL A 74 4.095 -4.993 -1.557 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.750 -4.658 -2.889 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.754 -4.287 -1.421 1.00 0.00 C ATOM 0 H VAL A 74 1.933 -6.804 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 74 4.851 -7.010 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 74 4.748 -4.640 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.865 -3.578 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.730 -5.132 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.125 -5.024 -3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.896 -3.212 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.075 -4.643 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.328 -4.500 -0.440 1.00 0.00 H new ATOM 1122 N LYS A 75 4.575 -6.631 0.924 1.00 0.00 N ATOM 1123 CA LYS A 75 4.396 -6.897 2.346 1.00 0.00 C ATOM 1124 C LYS A 75 3.556 -5.806 3.003 1.00 0.00 C ATOM 1125 O LYS A 75 3.081 -4.890 2.334 1.00 0.00 O ATOM 1126 CB LYS A 75 5.755 -6.998 3.042 1.00 0.00 C ATOM 1127 CG LYS A 75 6.685 -8.022 2.415 1.00 0.00 C ATOM 1128 CD LYS A 75 7.441 -7.438 1.232 1.00 0.00 C ATOM 1129 CE LYS A 75 8.801 -8.096 1.060 1.00 0.00 C ATOM 1130 NZ LYS A 75 9.709 -7.800 2.203 1.00 0.00 N ATOM 0 H LYS A 75 5.499 -6.280 0.674 1.00 0.00 H new ATOM 0 HA LYS A 75 3.870 -7.846 2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.238 -6.021 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.599 -7.255 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.395 -8.376 3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.108 -8.887 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.854 -7.570 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.570 -6.365 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.673 -9.175 0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.258 -7.748 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.698 -7.879 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.531 -6.835 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.533 -8.479 2.971 1.00 0.00 H new ATOM 1144 N GLN A 76 3.380 -5.912 4.316 1.00 0.00 N ATOM 1145 CA GLN A 76 2.598 -4.933 5.062 1.00 0.00 C ATOM 1146 C GLN A 76 3.331 -3.598 5.143 1.00 0.00 C ATOM 1147 O GLN A 76 2.710 -2.536 5.107 1.00 0.00 O ATOM 1148 CB GLN A 76 2.303 -5.451 6.471 1.00 0.00 C ATOM 1149 CG GLN A 76 3.552 -5.758 7.281 1.00 0.00 C ATOM 1150 CD GLN A 76 4.082 -7.156 7.030 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.040 -7.345 6.280 1.00 0.00 O ATOM 1152 NE2 GLN A 76 3.459 -8.147 7.659 1.00 0.00 N ATOM 0 H GLN A 76 3.768 -6.665 4.885 1.00 0.00 H new ATOM 0 HA GLN A 76 1.657 -4.779 4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.708 -4.710 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.697 -6.354 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.326 -5.031 7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.330 -5.643 8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.669 -7.945 8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.771 -9.109 7.529 1.00 0.00 H new ATOM 1161 N GLU A 77 4.654 -3.660 5.251 1.00 0.00 N ATOM 1162 CA GLU A 77 5.471 -2.455 5.338 1.00 0.00 C ATOM 1163 C GLU A 77 5.057 -1.441 4.275 1.00 0.00 C ATOM 1164 O GLU A 77 4.722 -0.299 4.590 1.00 0.00 O ATOM 1165 CB GLU A 77 6.952 -2.803 5.177 1.00 0.00 C ATOM 1166 CG GLU A 77 7.641 -3.150 6.487 1.00 0.00 C ATOM 1167 CD GLU A 77 6.815 -4.082 7.351 1.00 0.00 C ATOM 1168 OE1 GLU A 77 5.931 -3.586 8.080 1.00 0.00 O ATOM 1169 OE2 GLU A 77 7.053 -5.307 7.300 1.00 0.00 O ATOM 0 H GLU A 77 5.183 -4.531 5.280 1.00 0.00 H new ATOM 0 HA GLU A 77 5.315 -2.011 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.046 -3.646 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.467 -1.959 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.604 -3.615 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.845 -2.233 7.040 1.00 0.00 H new ATOM 1176 N TRP A 78 5.085 -1.866 3.018 1.00 0.00 N ATOM 1177 CA TRP A 78 4.714 -0.995 1.908 1.00 0.00 C ATOM 1178 C TRP A 78 3.533 -0.107 2.285 1.00 0.00 C ATOM 1179 O TRP A 78 3.669 1.112 2.388 1.00 0.00 O ATOM 1180 CB TRP A 78 4.368 -1.828 0.673 1.00 0.00 C ATOM 1181 CG TRP A 78 4.199 -1.006 -0.569 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.168 -0.684 -1.476 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.990 -0.401 -1.039 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.634 0.085 -2.482 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.299 0.272 -2.238 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.675 -0.365 -0.566 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.341 0.973 -2.966 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.726 0.332 -1.290 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.062 0.992 -2.479 1.00 0.00 C ATOM 0 H TRP A 78 5.361 -2.808 2.741 1.00 0.00 H new ATOM 0 HA TRP A 78 5.567 -0.356 1.679 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.154 -2.565 0.508 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.448 -2.381 0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.202 -0.989 -1.412 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.148 0.456 -3.281 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.405 -0.873 0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.598 1.484 -3.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.293 0.368 -0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.297 1.526 -3.022 1.00 0.00 H new ATOM 1200 N PHE A 79 2.375 -0.725 2.489 1.00 0.00 N ATOM 1201 CA PHE A 79 1.169 0.011 2.854 1.00 0.00 C ATOM 1202 C PHE A 79 1.469 1.042 3.938 1.00 0.00 C ATOM 1203 O PHE A 79 1.149 2.222 3.793 1.00 0.00 O ATOM 1204 CB PHE A 79 0.084 -0.953 3.337 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.076 -0.267 3.998 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.028 0.399 3.242 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.216 -0.288 5.377 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.096 1.032 3.849 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.283 0.343 5.989 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.225 1.003 5.224 1.00 0.00 C ATOM 0 H PHE A 79 2.245 -1.733 2.408 1.00 0.00 H new ATOM 0 HA PHE A 79 0.811 0.535 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.282 -1.531 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.525 -1.661 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.934 0.423 2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.483 -0.803 5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.830 1.549 3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.380 0.320 7.064 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.060 1.495 5.700 1.00 0.00 H new ATOM 1220 N TRP A 80 2.083 0.587 5.024 1.00 0.00 N ATOM 1221 CA TRP A 80 2.426 1.470 6.134 1.00 0.00 C ATOM 1222 C TRP A 80 3.280 2.639 5.656 1.00 0.00 C ATOM 1223 O TRP A 80 2.851 3.791 5.700 1.00 0.00 O ATOM 1224 CB TRP A 80 3.168 0.691 7.221 1.00 0.00 C ATOM 1225 CG TRP A 80 2.305 -0.310 7.929 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.538 -1.649 8.056 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.070 -0.050 8.605 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.523 -2.238 8.770 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.610 -1.279 9.119 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.309 1.100 8.828 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.576 -1.386 9.840 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.869 0.992 9.543 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.301 -0.244 10.043 1.00 0.00 C ATOM 0 H TRP A 80 2.354 -0.387 5.160 1.00 0.00 H new ATOM 0 HA TRP A 80 1.500 1.867 6.549 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.017 0.175 6.773 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.571 1.393 7.951 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.395 -2.169 7.654 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.460 -3.229 9.003 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.635 2.057 8.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.912 -2.337 10.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.466 1.874 9.719 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.225 -0.296 10.600 1.00 0.00 H new ATOM 1244 N GLY A 81 4.491 2.334 5.200 1.00 0.00 N ATOM 1245 CA GLY A 81 5.386 3.372 4.721 1.00 0.00 C ATOM 1246 C GLY A 81 4.664 4.433 3.916 1.00 0.00 C ATOM 1247 O GLY A 81 4.564 5.584 4.341 1.00 0.00 O ATOM 0 H GLY A 81 4.868 1.387 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.882 3.840 5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.165 2.921 4.106 1.00 0.00 H new ATOM 1251 N SER A 82 4.160 4.047 2.748 1.00 0.00 N ATOM 1252 CA SER A 82 3.448 4.976 1.878 1.00 0.00 C ATOM 1253 C SER A 82 2.650 5.986 2.698 1.00 0.00 C ATOM 1254 O SER A 82 2.564 7.161 2.342 1.00 0.00 O ATOM 1255 CB SER A 82 2.513 4.213 0.938 1.00 0.00 C ATOM 1256 OG SER A 82 3.242 3.558 -0.086 1.00 0.00 O ATOM 0 H SER A 82 4.232 3.097 2.382 1.00 0.00 H new ATOM 0 HA SER A 82 4.185 5.517 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.940 3.480 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.796 4.904 0.494 1.00 0.00 H new ATOM 0 HG SER A 82 2.622 3.076 -0.672 1.00 0.00 H new ATOM 1262 N ILE A 83 2.068 5.518 3.797 1.00 0.00 N ATOM 1263 CA ILE A 83 1.279 6.379 4.668 1.00 0.00 C ATOM 1264 C ILE A 83 2.172 7.325 5.463 1.00 0.00 C ATOM 1265 O ILE A 83 1.970 8.539 5.453 1.00 0.00 O ATOM 1266 CB ILE A 83 0.423 5.555 5.649 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.494 4.600 4.881 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.393 6.476 6.543 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -1.031 3.467 5.728 1.00 0.00 C ATOM 0 H ILE A 83 2.128 4.547 4.105 1.00 0.00 H new ATOM 0 HA ILE A 83 0.621 6.961 4.023 1.00 0.00 H new ATOM 0 HB ILE A 83 1.087 4.964 6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.331 5.164 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.054 4.183 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.992 5.879 7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.278 7.119 7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.051 7.091 5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.673 2.830 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.200 2.879 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.607 3.875 6.558 1.00 0.00 H new ATOM 1281 N GLN A 84 3.162 6.761 6.147 1.00 0.00 N ATOM 1282 CA GLN A 84 4.087 7.555 6.946 1.00 0.00 C ATOM 1283 C GLN A 84 4.688 8.687 6.119 1.00 0.00 C ATOM 1284 O GLN A 84 4.797 9.820 6.587 1.00 0.00 O ATOM 1285 CB GLN A 84 5.202 6.669 7.504 1.00 0.00 C ATOM 1286 CG GLN A 84 5.803 7.191 8.800 1.00 0.00 C ATOM 1287 CD GLN A 84 6.647 6.152 9.512 1.00 0.00 C ATOM 1288 OE1 GLN A 84 7.041 5.145 8.922 1.00 0.00 O ATOM 1289 NE2 GLN A 84 6.931 6.391 10.787 1.00 0.00 N ATOM 0 H GLN A 84 3.344 5.757 6.164 1.00 0.00 H new ATOM 0 HA GLN A 84 3.529 7.991 7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.808 5.667 7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.991 6.579 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.416 8.066 8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.001 7.518 9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.584 7.238 11.237 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.496 5.727 11.317 1.00 0.00 H new ATOM 1298 N MET A 85 5.075 8.372 4.887 1.00 0.00 N ATOM 1299 CA MET A 85 5.663 9.364 3.994 1.00 0.00 C ATOM 1300 C MET A 85 4.614 9.927 3.041 1.00 0.00 C ATOM 1301 O MET A 85 4.885 10.863 2.289 1.00 0.00 O ATOM 1302 CB MET A 85 6.814 8.745 3.198 1.00 0.00 C ATOM 1303 CG MET A 85 6.390 7.573 2.329 1.00 0.00 C ATOM 1304 SD MET A 85 7.760 6.876 1.386 1.00 0.00 S ATOM 1305 CE MET A 85 7.144 5.225 1.063 1.00 0.00 C ATOM 0 H MET A 85 4.992 7.438 4.485 1.00 0.00 H new ATOM 0 HA MET A 85 6.050 10.181 4.603 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.262 9.512 2.566 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.587 8.412 3.891 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.956 6.797 2.959 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.610 7.899 1.642 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.970 4.581 0.763 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.682 4.826 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.405 5.263 0.263 1.00 0.00 H new ATOM 1315 N ASP A 86 3.418 9.351 3.077 1.00 0.00 N ATOM 1316 CA ASP A 86 2.328 9.797 2.217 1.00 0.00 C ATOM 1317 C ASP A 86 2.765 9.822 0.755 1.00 0.00 C ATOM 1318 O ASP A 86 2.377 10.709 -0.004 1.00 0.00 O ATOM 1319 CB ASP A 86 1.849 11.185 2.642 1.00 0.00 C ATOM 1320 CG ASP A 86 0.852 11.129 3.784 1.00 0.00 C ATOM 1321 OD1 ASP A 86 0.197 10.078 3.949 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.728 12.135 4.512 1.00 0.00 O ATOM 0 H ASP A 86 3.178 8.574 3.693 1.00 0.00 H new ATOM 0 HA ASP A 86 1.505 9.090 2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.707 11.786 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.392 11.686 1.788 1.00 0.00 H new ATOM 1327 N ALA A 87 3.577 8.843 0.369 1.00 0.00 N ATOM 1328 CA ALA A 87 4.066 8.752 -1.001 1.00 0.00 C ATOM 1329 C ALA A 87 4.177 7.299 -1.449 1.00 0.00 C ATOM 1330 O ALA A 87 4.762 6.468 -0.754 1.00 0.00 O ATOM 1331 CB ALA A 87 5.412 9.450 -1.128 1.00 0.00 C ATOM 0 H ALA A 87 3.910 8.102 0.986 1.00 0.00 H new ATOM 0 HA ALA A 87 3.347 9.251 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.766 9.374 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.304 10.500 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.132 8.976 -0.461 1.00 0.00 H new ATOM 1337 N ARG A 88 3.612 6.999 -2.614 1.00 0.00 N ATOM 1338 CA ARG A 88 3.647 5.645 -3.154 1.00 0.00 C ATOM 1339 C ARG A 88 5.081 5.132 -3.245 1.00 0.00 C ATOM 1340 O ARG A 88 5.915 5.714 -3.938 1.00 0.00 O ATOM 1341 CB ARG A 88 2.991 5.607 -4.536 1.00 0.00 C ATOM 1342 CG ARG A 88 2.734 4.199 -5.049 1.00 0.00 C ATOM 1343 CD ARG A 88 1.518 4.153 -5.961 1.00 0.00 C ATOM 1344 NE ARG A 88 1.622 3.090 -6.958 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.314 3.206 -8.086 1.00 0.00 C ATOM 1346 NH1 ARG A 88 2.961 4.330 -8.358 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.361 2.194 -8.943 1.00 0.00 N ATOM 0 H ARG A 88 3.125 7.675 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 88 3.090 4.997 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.046 6.148 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.629 6.133 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.610 3.842 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.584 3.525 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.621 4.001 -5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.406 5.113 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 88 1.137 2.211 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.929 5.109 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.492 4.416 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.866 1.327 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.892 2.283 -9.809 1.00 0.00 H new ATOM 1361 N ALA A 89 5.359 4.040 -2.541 1.00 0.00 N ATOM 1362 CA ALA A 89 6.692 3.448 -2.543 1.00 0.00 C ATOM 1363 C ALA A 89 6.837 2.428 -3.667 1.00 0.00 C ATOM 1364 O ALA A 89 5.845 1.944 -4.211 1.00 0.00 O ATOM 1365 CB ALA A 89 6.984 2.801 -1.198 1.00 0.00 C ATOM 0 H ALA A 89 4.679 3.547 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 89 7.417 4.244 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.982 2.363 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.931 3.555 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.249 2.021 -1.002 1.00 0.00 H new ATOM 1371 N GLY A 90 8.080 2.105 -4.010 1.00 0.00 N ATOM 1372 CA GLY A 90 8.332 1.144 -5.068 1.00 0.00 C ATOM 1373 C GLY A 90 8.109 -0.286 -4.617 1.00 0.00 C ATOM 1374 O GLY A 90 8.609 -0.699 -3.571 1.00 0.00 O ATOM 0 H GLY A 90 8.917 2.492 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.680 1.361 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.358 1.255 -5.419 1.00 0.00 H new ATOM 1378 N GLU A 91 7.354 -1.044 -5.408 1.00 0.00 N ATOM 1379 CA GLU A 91 7.065 -2.435 -5.082 1.00 0.00 C ATOM 1380 C GLU A 91 8.345 -3.265 -5.054 1.00 0.00 C ATOM 1381 O GLU A 91 8.546 -4.088 -4.160 1.00 0.00 O ATOM 1382 CB GLU A 91 6.083 -3.026 -6.096 1.00 0.00 C ATOM 1383 CG GLU A 91 4.817 -2.203 -6.268 1.00 0.00 C ATOM 1384 CD GLU A 91 3.852 -2.367 -5.110 1.00 0.00 C ATOM 1385 OE1 GLU A 91 3.024 -3.301 -5.155 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.926 -1.562 -4.158 1.00 0.00 O ATOM 0 H GLU A 91 6.932 -0.718 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 91 6.613 -2.463 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.581 -3.117 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.811 -4.034 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.083 -1.151 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.321 -2.496 -7.193 1.00 0.00 H new ATOM 1393 N THR A 92 9.208 -3.044 -6.040 1.00 0.00 N ATOM 1394 CA THR A 92 10.468 -3.772 -6.130 1.00 0.00 C ATOM 1395 C THR A 92 11.206 -3.760 -4.797 1.00 0.00 C ATOM 1396 O THR A 92 12.079 -4.593 -4.553 1.00 0.00 O ATOM 1397 CB THR A 92 11.384 -3.177 -7.216 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.653 -3.010 -8.436 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.588 -4.073 -7.459 1.00 0.00 C ATOM 0 H THR A 92 9.058 -2.367 -6.788 1.00 0.00 H new ATOM 0 HA THR A 92 10.221 -4.800 -6.396 1.00 0.00 H new ATOM 0 HB THR A 92 11.738 -2.206 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.242 -2.630 -9.121 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.220 -3.632 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.159 -4.174 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.250 -5.056 -7.786 1.00 0.00 H new ATOM 1407 N MET A 93 10.850 -2.812 -3.936 1.00 0.00 N ATOM 1408 CA MET A 93 11.479 -2.694 -2.626 1.00 0.00 C ATOM 1409 C MET A 93 10.743 -3.541 -1.592 1.00 0.00 C ATOM 1410 O MET A 93 11.339 -4.009 -0.621 1.00 0.00 O ATOM 1411 CB MET A 93 11.505 -1.232 -2.178 1.00 0.00 C ATOM 1412 CG MET A 93 12.430 -0.358 -3.011 1.00 0.00 C ATOM 1413 SD MET A 93 12.905 1.159 -2.160 1.00 0.00 S ATOM 1414 CE MET A 93 12.073 2.385 -3.165 1.00 0.00 C ATOM 0 H MET A 93 10.129 -2.115 -4.122 1.00 0.00 H new ATOM 0 HA MET A 93 12.503 -3.059 -2.708 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.494 -0.827 -2.227 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.817 -1.186 -1.135 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.327 -0.923 -3.265 1.00 0.00 H new ATOM 0 HG3 MET A 93 11.937 -0.104 -3.949 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.137 3.358 -2.678 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.549 2.437 -4.144 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.026 2.107 -3.285 1.00 0.00 H new ATOM 1424 N TYR A 94 9.447 -3.734 -1.807 1.00 0.00 N ATOM 1425 CA TYR A 94 8.629 -4.522 -0.892 1.00 0.00 C ATOM 1426 C TYR A 94 7.913 -5.647 -1.632 1.00 0.00 C ATOM 1427 O TYR A 94 6.818 -6.061 -1.248 1.00 0.00 O ATOM 1428 CB TYR A 94 7.607 -3.628 -0.188 1.00 0.00 C ATOM 1429 CG TYR A 94 8.205 -2.366 0.393 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.736 -1.382 -0.432 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.239 -2.158 1.766 1.00 0.00 C ATOM 1432 CE1 TYR A 94 9.284 -0.228 0.094 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.783 -1.006 2.300 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.304 -0.045 1.460 1.00 0.00 C ATOM 1435 OH TYR A 94 9.849 1.103 1.989 1.00 0.00 O ATOM 0 H TYR A 94 8.940 -3.356 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 94 9.289 -4.965 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.825 -3.356 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.130 -4.195 0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.720 -1.522 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.833 -2.910 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.694 0.526 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.800 -0.859 3.370 1.00 0.00 H new ATOM 0 HH TYR A 94 9.783 1.076 2.966 1.00 0.00 H new ATOM 1445 N LEU A 95 8.539 -6.138 -2.696 1.00 0.00 N ATOM 1446 CA LEU A 95 7.963 -7.216 -3.493 1.00 0.00 C ATOM 1447 C LEU A 95 7.939 -8.522 -2.705 1.00 0.00 C ATOM 1448 O LEU A 95 8.982 -9.126 -2.453 1.00 0.00 O ATOM 1449 CB LEU A 95 8.758 -7.402 -4.786 1.00 0.00 C ATOM 1450 CG LEU A 95 8.283 -6.587 -5.989 1.00 0.00 C ATOM 1451 CD1 LEU A 95 9.037 -6.999 -7.244 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.784 -6.751 -6.187 1.00 0.00 C ATOM 0 H LEU A 95 9.445 -5.807 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 95 6.937 -6.943 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.799 -7.148 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.733 -8.458 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 95 8.490 -5.535 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.686 -6.408 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.104 -6.828 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.863 -8.057 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.464 -6.164 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.553 -7.802 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.259 -6.405 -5.296 1.00 0.00 H new ATOM 1464 N TYR A 96 6.743 -8.953 -2.320 1.00 0.00 N ATOM 1465 CA TYR A 96 6.583 -10.187 -1.560 1.00 0.00 C ATOM 1466 C TYR A 96 7.085 -11.387 -2.358 1.00 0.00 C ATOM 1467 O TYR A 96 6.459 -11.803 -3.332 1.00 0.00 O ATOM 1468 CB TYR A 96 5.115 -10.390 -1.181 1.00 0.00 C ATOM 1469 CG TYR A 96 4.859 -11.670 -0.417 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.655 -12.027 0.665 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.822 -12.521 -0.776 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.425 -13.195 1.366 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.584 -13.690 -0.080 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.388 -14.023 0.990 1.00 0.00 C ATOM 1475 OH TYR A 96 4.155 -15.188 1.685 1.00 0.00 O ATOM 0 H TYR A 96 5.870 -8.466 -2.522 1.00 0.00 H new ATOM 0 HA TYR A 96 7.178 -10.104 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.784 -9.544 -0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.511 -10.391 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.467 -11.380 0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.191 -12.264 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.054 -13.458 2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.772 -14.340 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 96 3.388 -15.655 1.293 1.00 0.00 H new