USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 826 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 123 HIS : no HD1:sc= -0.0722 K(o=-0.072,f=-1.8!) USER MOD Set 1.2: A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 SER OG : rot -32:sc= -0.222 USER MOD Set 2.2: A 114 GLN :FLIP amide:sc= -1.97! C(o=-4.8!,f=-2.2!) USER MOD Set 3.1: A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Set 3.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.47 K(o=-1.5,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.745 (180deg=-1.34) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 30 ASN : amide:sc= -0.0421 K(o=-0.042,f=-1.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 168:sc= -0.879 (180deg=-1.1) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -111:sc= -0.586 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.25 K(o=-1.2,f=-14!) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.961 F(o=-2.4!,f=-0.96) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 8:sc= 0.44 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -57:sc= 0.69 USER MOD Single : A 85 MET CE :methyl -153:sc= -1.31 (180deg=-2.45) USER MOD Single : A 88 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.02) USER MOD Single : A 89 TYR OH : rot 90:sc= -1.5 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0903 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.689 K(o=-0.69,f=-1.8!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -142:sc= -1.23 (180deg=-3.95!) USER MOD Single : A 124 LYS NZ :NH3+ -141:sc= -0.0336 (180deg=-1.91!) USER MOD Single : A 130 TYR OH : rot -30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -8.010 -9.120 2.937 1.00 0.00 N ATOM 145 CA LYS A 13 -7.062 -10.161 3.318 1.00 0.00 C ATOM 146 C LYS A 13 -5.644 -9.604 3.394 1.00 0.00 C ATOM 147 O LYS A 13 -4.942 -9.804 4.384 1.00 0.00 O ATOM 148 CB LYS A 13 -7.114 -11.317 2.317 1.00 0.00 C ATOM 149 CG LYS A 13 -8.234 -12.306 2.587 1.00 0.00 C ATOM 150 CD LYS A 13 -8.533 -13.158 1.366 1.00 0.00 C ATOM 151 CE LYS A 13 -7.658 -14.401 1.325 1.00 0.00 C ATOM 152 NZ LYS A 13 -7.556 -14.964 -0.050 1.00 0.00 N ATOM 0 HA LYS A 13 -7.342 -10.530 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.233 -10.911 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.161 -11.846 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.958 -12.950 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.133 -11.766 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.583 -13.451 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.373 -12.569 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.661 -14.155 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.068 -15.155 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.951 -15.810 -0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.504 -15.222 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.141 -14.253 -0.686 1.00 0.00 H new ATOM 166 N GLN A 14 -5.231 -8.903 2.343 1.00 0.00 N ATOM 167 CA GLN A 14 -3.897 -8.317 2.292 1.00 0.00 C ATOM 168 C GLN A 14 -3.635 -7.453 3.522 1.00 0.00 C ATOM 169 O GLN A 14 -2.484 -7.208 3.887 1.00 0.00 O ATOM 170 CB GLN A 14 -3.732 -7.480 1.022 1.00 0.00 C ATOM 171 CG GLN A 14 -3.914 -8.277 -0.259 1.00 0.00 C ATOM 172 CD GLN A 14 -3.173 -9.599 -0.235 1.00 0.00 C ATOM 173 OE1 GLN A 14 -3.492 -10.488 0.556 1.00 0.00 O ATOM 174 NE2 GLN A 14 -2.178 -9.736 -1.103 1.00 0.00 N ATOM 0 H GLN A 14 -5.801 -8.727 1.516 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.171 -9.130 2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.454 -6.664 1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.740 -7.028 1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.976 -8.463 -0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.564 -7.684 -1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.948 -8.973 -1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.643 -10.604 -1.133 1.00 0.00 H new ATOM 183 N LEU A 15 -4.708 -6.996 4.157 1.00 0.00 N ATOM 184 CA LEU A 15 -4.595 -6.159 5.346 1.00 0.00 C ATOM 185 C LEU A 15 -3.577 -6.737 6.324 1.00 0.00 C ATOM 186 O LEU A 15 -2.484 -6.196 6.492 1.00 0.00 O ATOM 187 CB LEU A 15 -5.956 -6.024 6.030 1.00 0.00 C ATOM 188 CG LEU A 15 -7.079 -5.431 5.179 1.00 0.00 C ATOM 189 CD1 LEU A 15 -8.380 -5.387 5.966 1.00 0.00 C ATOM 190 CD2 LEU A 15 -6.702 -4.040 4.690 1.00 0.00 C ATOM 0 H LEU A 15 -5.667 -7.191 3.868 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.252 -5.172 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.268 -7.011 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.834 -5.404 6.918 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.226 -6.072 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.167 -4.962 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.659 -6.398 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.247 -4.770 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.514 -3.634 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.526 -3.389 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.796 -4.099 4.087 1.00 0.00 H new ATOM 202 N LYS A 16 -3.942 -7.842 6.965 1.00 0.00 N ATOM 203 CA LYS A 16 -3.060 -8.497 7.924 1.00 0.00 C ATOM 204 C LYS A 16 -1.652 -8.646 7.355 1.00 0.00 C ATOM 205 O LYS A 16 -0.663 -8.463 8.064 1.00 0.00 O ATOM 206 CB LYS A 16 -3.616 -9.872 8.303 1.00 0.00 C ATOM 207 CG LYS A 16 -3.498 -10.903 7.193 1.00 0.00 C ATOM 208 CD LYS A 16 -4.483 -12.043 7.385 1.00 0.00 C ATOM 209 CE LYS A 16 -5.807 -11.760 6.691 1.00 0.00 C ATOM 210 NZ LYS A 16 -6.572 -10.682 7.376 1.00 0.00 N ATOM 0 H LYS A 16 -4.843 -8.303 6.838 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.008 -7.874 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.089 -10.237 9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.665 -9.767 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.677 -10.425 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.483 -11.298 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.055 -12.965 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.656 -12.200 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.621 -11.472 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.406 -12.670 6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.565 -10.711 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.525 -10.823 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.161 -9.758 7.135 1.00 0.00 H new ATOM 224 N VAL A 17 -1.570 -8.978 6.071 1.00 0.00 N ATOM 225 CA VAL A 17 -0.283 -9.149 5.406 1.00 0.00 C ATOM 226 C VAL A 17 0.538 -7.866 5.461 1.00 0.00 C ATOM 227 O VAL A 17 1.725 -7.889 5.789 1.00 0.00 O ATOM 228 CB VAL A 17 -0.463 -9.567 3.935 1.00 0.00 C ATOM 229 CG1 VAL A 17 0.889 -9.740 3.260 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.282 -10.846 3.841 1.00 0.00 C ATOM 0 H VAL A 17 -2.379 -9.134 5.470 1.00 0.00 H new ATOM 0 HA VAL A 17 0.246 -9.939 5.939 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.004 -8.777 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.742 -10.035 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.436 -8.798 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.459 -10.511 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.399 -11.127 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.770 -11.646 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.264 -10.683 4.285 1.00 0.00 H new ATOM 240 N LEU A 18 -0.101 -6.746 5.139 1.00 0.00 N ATOM 241 CA LEU A 18 0.570 -5.451 5.152 1.00 0.00 C ATOM 242 C LEU A 18 1.035 -5.093 6.560 1.00 0.00 C ATOM 243 O LEU A 18 2.226 -4.885 6.798 1.00 0.00 O ATOM 244 CB LEU A 18 -0.366 -4.364 4.620 1.00 0.00 C ATOM 245 CG LEU A 18 -0.715 -4.448 3.134 1.00 0.00 C ATOM 246 CD1 LEU A 18 -1.803 -3.444 2.784 1.00 0.00 C ATOM 247 CD2 LEU A 18 0.523 -4.215 2.281 1.00 0.00 C ATOM 0 H LEU A 18 -1.083 -6.709 4.866 1.00 0.00 H new ATOM 0 HA LEU A 18 1.445 -5.516 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.293 -4.398 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.091 -3.393 4.811 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.092 -5.449 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.039 -3.518 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.697 -3.657 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.454 -2.436 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.255 -4.279 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.930 -3.226 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.272 -4.973 2.512 1.00 0.00 H new ATOM 259 N LEU A 19 0.090 -5.026 7.491 1.00 0.00 N ATOM 260 CA LEU A 19 0.402 -4.695 8.877 1.00 0.00 C ATOM 261 C LEU A 19 1.453 -5.647 9.440 1.00 0.00 C ATOM 262 O LEU A 19 2.477 -5.214 9.968 1.00 0.00 O ATOM 263 CB LEU A 19 -0.864 -4.752 9.733 1.00 0.00 C ATOM 264 CG LEU A 19 -1.989 -3.797 9.331 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.326 -4.296 9.858 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.704 -2.392 9.841 1.00 0.00 C ATOM 0 H LEU A 19 -0.899 -5.197 7.311 1.00 0.00 H new ATOM 0 HA LEU A 19 0.804 -3.682 8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.252 -5.770 9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.589 -4.543 10.767 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.040 -3.764 8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.115 -3.604 9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.535 -5.283 9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.288 -4.359 10.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.515 -1.726 9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.626 -2.408 10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.767 -2.033 9.415 1.00 0.00 H new ATOM 278 N SER A 20 1.193 -6.945 9.320 1.00 0.00 N ATOM 279 CA SER A 20 2.116 -7.958 9.818 1.00 0.00 C ATOM 280 C SER A 20 3.559 -7.585 9.494 1.00 0.00 C ATOM 281 O SER A 20 4.425 -7.587 10.368 1.00 0.00 O ATOM 282 CB SER A 20 1.782 -9.324 9.214 1.00 0.00 C ATOM 283 OG SER A 20 1.877 -9.293 7.801 1.00 0.00 O ATOM 0 H SER A 20 0.351 -7.320 8.882 1.00 0.00 H new ATOM 0 HA SER A 20 2.008 -8.011 10.901 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.463 -10.077 9.611 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.774 -9.619 9.508 1.00 0.00 H new ATOM 0 HG SER A 20 1.629 -8.402 7.476 1.00 0.00 H new ATOM 289 N GLY A 21 3.811 -7.266 8.228 1.00 0.00 N ATOM 290 CA GLY A 21 5.150 -6.895 7.809 1.00 0.00 C ATOM 291 C GLY A 21 6.031 -8.101 7.547 1.00 0.00 C ATOM 292 O GLY A 21 5.901 -9.129 8.211 1.00 0.00 O ATOM 0 H GLY A 21 3.112 -7.258 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.090 -6.290 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.609 -6.274 8.578 1.00 0.00 H new ATOM 296 N ALA A 22 6.928 -7.977 6.575 1.00 0.00 N ATOM 297 CA ALA A 22 7.834 -9.065 6.227 1.00 0.00 C ATOM 298 C ALA A 22 9.270 -8.567 6.106 1.00 0.00 C ATOM 299 O ALA A 22 9.515 -7.364 6.008 1.00 0.00 O ATOM 300 CB ALA A 22 7.391 -9.725 4.930 1.00 0.00 C ATOM 0 H ALA A 22 7.047 -7.134 6.014 1.00 0.00 H new ATOM 0 HA ALA A 22 7.800 -9.803 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.076 -10.536 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.384 -10.125 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.395 -8.988 4.127 1.00 0.00 H new ATOM 306 N THR A 23 10.217 -9.499 6.114 1.00 0.00 N ATOM 307 CA THR A 23 11.629 -9.155 6.007 1.00 0.00 C ATOM 308 C THR A 23 12.041 -8.969 4.551 1.00 0.00 C ATOM 309 O THR A 23 11.551 -9.666 3.662 1.00 0.00 O ATOM 310 CB THR A 23 12.521 -10.235 6.646 1.00 0.00 C ATOM 311 OG1 THR A 23 12.046 -10.548 7.960 1.00 0.00 O ATOM 312 CG2 THR A 23 13.967 -9.768 6.723 1.00 0.00 C ATOM 0 H THR A 23 10.032 -10.499 6.194 1.00 0.00 H new ATOM 0 HA THR A 23 11.766 -8.216 6.544 1.00 0.00 H new ATOM 0 HB THR A 23 12.477 -11.127 6.021 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.618 -11.237 8.359 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.578 -10.548 7.178 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.336 -9.558 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.025 -8.863 7.327 1.00 0.00 H new ATOM 320 N PHE A 24 12.945 -8.024 4.312 1.00 0.00 N ATOM 321 CA PHE A 24 13.423 -7.746 2.963 1.00 0.00 C ATOM 322 C PHE A 24 14.869 -7.259 2.987 1.00 0.00 C ATOM 323 O PHE A 24 15.314 -6.648 3.960 1.00 0.00 O ATOM 324 CB PHE A 24 12.532 -6.701 2.289 1.00 0.00 C ATOM 325 CG PHE A 24 11.069 -7.035 2.344 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.487 -7.822 1.363 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.275 -6.563 3.376 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.141 -8.130 1.410 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.928 -6.868 3.429 1.00 0.00 C ATOM 330 CZ PHE A 24 8.360 -7.654 2.446 1.00 0.00 C ATOM 0 H PHE A 24 13.361 -7.438 5.036 1.00 0.00 H new ATOM 0 HA PHE A 24 13.380 -8.673 2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.694 -5.735 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 24 12.834 -6.596 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.093 -8.199 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.714 -5.949 4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.699 -8.742 0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.320 -6.492 4.239 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.308 -7.896 2.487 1.00 0.00 H new ATOM 340 N LEU A 25 15.598 -7.535 1.912 1.00 0.00 N ATOM 341 CA LEU A 25 16.994 -7.127 1.808 1.00 0.00 C ATOM 342 C LEU A 25 17.117 -5.779 1.104 1.00 0.00 C ATOM 343 O LEU A 25 16.906 -5.677 -0.105 1.00 0.00 O ATOM 344 CB LEU A 25 17.801 -8.185 1.054 1.00 0.00 C ATOM 345 CG LEU A 25 18.389 -9.312 1.903 1.00 0.00 C ATOM 346 CD1 LEU A 25 19.177 -10.280 1.034 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.270 -8.745 3.007 1.00 0.00 C ATOM 0 H LEU A 25 15.245 -8.040 1.099 1.00 0.00 H new ATOM 0 HA LEU A 25 17.393 -7.026 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.159 -8.628 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.618 -7.686 0.532 1.00 0.00 H new ATOM 0 HG LEU A 25 17.567 -9.858 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.588 -11.075 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.518 -10.712 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.991 -9.747 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.680 -9.562 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.086 -8.174 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.676 -8.093 3.648 1.00 0.00 H new ATOM 359 N VAL A 26 17.460 -4.747 1.867 1.00 0.00 N ATOM 360 CA VAL A 26 17.614 -3.406 1.316 1.00 0.00 C ATOM 361 C VAL A 26 19.073 -3.113 0.983 1.00 0.00 C ATOM 362 O VAL A 26 19.946 -3.183 1.848 1.00 0.00 O ATOM 363 CB VAL A 26 17.097 -2.334 2.294 1.00 0.00 C ATOM 364 CG1 VAL A 26 17.226 -0.947 1.683 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.656 -2.622 2.686 1.00 0.00 C ATOM 0 H VAL A 26 17.637 -4.814 2.869 1.00 0.00 H new ATOM 0 HA VAL A 26 17.021 -3.369 0.402 1.00 0.00 H new ATOM 0 HB VAL A 26 17.708 -2.365 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.856 -0.203 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.273 -0.744 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.642 -0.898 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.307 -1.855 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.029 -2.620 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.598 -3.598 3.168 1.00 0.00 H new ATOM 375 N THR A 27 19.331 -2.784 -0.279 1.00 0.00 N ATOM 376 CA THR A 27 20.684 -2.481 -0.728 1.00 0.00 C ATOM 377 C THR A 27 20.862 -0.986 -0.968 1.00 0.00 C ATOM 378 O THR A 27 20.429 -0.455 -1.992 1.00 0.00 O ATOM 379 CB THR A 27 21.030 -3.241 -2.022 1.00 0.00 C ATOM 380 OG1 THR A 27 20.461 -4.555 -1.986 1.00 0.00 O ATOM 381 CG2 THR A 27 22.537 -3.341 -2.205 1.00 0.00 C ATOM 0 H THR A 27 18.620 -2.721 -1.008 1.00 0.00 H new ATOM 0 HA THR A 27 21.359 -2.802 0.065 1.00 0.00 H new ATOM 0 HB THR A 27 20.613 -2.688 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.684 -5.031 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.757 -3.882 -3.126 1.00 0.00 H new ATOM 0 HG22 THR A 27 22.964 -2.340 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.972 -3.873 -1.359 1.00 0.00 H new ATOM 389 N PHE A 28 21.501 -0.311 -0.019 1.00 0.00 N ATOM 390 CA PHE A 28 21.736 1.124 -0.128 1.00 0.00 C ATOM 391 C PHE A 28 22.860 1.418 -1.116 1.00 0.00 C ATOM 392 O PHE A 28 23.800 0.637 -1.255 1.00 0.00 O ATOM 393 CB PHE A 28 22.080 1.711 1.243 1.00 0.00 C ATOM 394 CG PHE A 28 20.885 1.897 2.133 1.00 0.00 C ATOM 395 CD1 PHE A 28 20.421 0.856 2.920 1.00 0.00 C ATOM 396 CD2 PHE A 28 20.224 3.114 2.182 1.00 0.00 C ATOM 397 CE1 PHE A 28 19.321 1.024 3.740 1.00 0.00 C ATOM 398 CE2 PHE A 28 19.124 3.288 3.000 1.00 0.00 C ATOM 399 CZ PHE A 28 18.671 2.241 3.779 1.00 0.00 C ATOM 0 H PHE A 28 21.866 -0.734 0.834 1.00 0.00 H new ATOM 0 HA PHE A 28 20.822 1.590 -0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 28 22.795 1.056 1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 28 22.573 2.673 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 28 20.925 -0.099 2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 28 20.573 3.936 1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 28 18.971 0.204 4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 28 18.619 4.242 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.810 2.374 4.417 1.00 0.00 H new ATOM 409 N GLY A 29 22.756 2.553 -1.802 1.00 0.00 N ATOM 410 CA GLY A 29 23.769 2.930 -2.770 1.00 0.00 C ATOM 411 C GLY A 29 25.175 2.645 -2.279 1.00 0.00 C ATOM 412 O GLY A 29 25.980 2.051 -2.994 1.00 0.00 O ATOM 0 H GLY A 29 21.988 3.217 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.596 2.390 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.674 3.992 -2.995 1.00 0.00 H new ATOM 416 N ASN A 30 25.470 3.073 -1.056 1.00 0.00 N ATOM 417 CA ASN A 30 26.789 2.862 -0.471 1.00 0.00 C ATOM 418 C ASN A 30 26.974 1.405 -0.055 1.00 0.00 C ATOM 419 O ASN A 30 27.957 0.764 -0.424 1.00 0.00 O ATOM 420 CB ASN A 30 26.986 3.778 0.739 1.00 0.00 C ATOM 421 CG ASN A 30 27.322 5.201 0.338 1.00 0.00 C ATOM 422 OD1 ASN A 30 27.619 5.476 -0.825 1.00 0.00 O ATOM 423 ND2 ASN A 30 27.277 6.114 1.301 1.00 0.00 N ATOM 0 H ASN A 30 24.814 3.568 -0.451 1.00 0.00 H new ATOM 0 HA ASN A 30 27.536 3.103 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN A 30 26.078 3.778 1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 30 27.785 3.381 1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 30 27.494 7.088 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 30 27.026 5.841 2.251 1.00 0.00 H new ATOM 430 N SER A 31 26.020 0.890 0.715 1.00 0.00 N ATOM 431 CA SER A 31 26.079 -0.489 1.184 1.00 0.00 C ATOM 432 C SER A 31 26.035 -1.464 0.011 1.00 0.00 C ATOM 433 O SER A 31 24.965 -1.923 -0.388 1.00 0.00 O ATOM 434 CB SER A 31 24.920 -0.774 2.142 1.00 0.00 C ATOM 435 OG SER A 31 24.905 0.154 3.213 1.00 0.00 O ATOM 0 H SER A 31 25.198 1.407 1.027 1.00 0.00 H new ATOM 0 HA SER A 31 27.022 -0.627 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 31 23.975 -0.725 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.009 -1.787 2.535 1.00 0.00 H new ATOM 0 HG SER A 31 24.155 -0.048 3.810 1.00 0.00 H new ATOM 441 N GLU A 32 27.205 -1.774 -0.537 1.00 0.00 N ATOM 442 CA GLU A 32 27.301 -2.694 -1.665 1.00 0.00 C ATOM 443 C GLU A 32 26.589 -4.008 -1.357 1.00 0.00 C ATOM 444 O GLU A 32 26.070 -4.672 -2.255 1.00 0.00 O ATOM 445 CB GLU A 32 28.767 -2.963 -2.009 1.00 0.00 C ATOM 446 CG GLU A 32 29.528 -3.685 -0.909 1.00 0.00 C ATOM 447 CD GLU A 32 29.702 -2.835 0.334 1.00 0.00 C ATOM 448 OE1 GLU A 32 30.098 -1.658 0.198 1.00 0.00 O ATOM 449 OE2 GLU A 32 29.443 -3.346 1.443 1.00 0.00 O ATOM 0 H GLU A 32 28.100 -1.402 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 32 26.814 -2.230 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 32 28.814 -3.557 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 32 29.262 -2.015 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 32 28.999 -4.601 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 32 30.508 -3.979 -1.284 1.00 0.00 H new ATOM 456 N LYS A 33 26.569 -4.379 -0.081 1.00 0.00 N ATOM 457 CA LYS A 33 25.922 -5.612 0.348 1.00 0.00 C ATOM 458 C LYS A 33 24.573 -5.321 0.998 1.00 0.00 C ATOM 459 O LYS A 33 24.435 -4.414 1.819 1.00 0.00 O ATOM 460 CB LYS A 33 26.820 -6.370 1.329 1.00 0.00 C ATOM 461 CG LYS A 33 26.057 -7.292 2.264 1.00 0.00 C ATOM 462 CD LYS A 33 26.926 -8.443 2.743 1.00 0.00 C ATOM 463 CE LYS A 33 26.099 -9.691 3.013 1.00 0.00 C ATOM 464 NZ LYS A 33 26.952 -10.906 3.131 1.00 0.00 N ATOM 0 H LYS A 33 26.994 -3.842 0.675 1.00 0.00 H new ATOM 0 HA LYS A 33 25.755 -6.231 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.545 -6.957 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.384 -5.651 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.697 -6.725 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.179 -7.686 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.685 -8.664 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.452 -8.150 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.529 -9.557 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.378 -9.830 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.352 -11.735 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.477 -11.049 2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.623 -10.784 3.916 1.00 0.00 H new ATOM 478 N PRO A 34 23.553 -6.109 0.625 1.00 0.00 N ATOM 479 CA PRO A 34 22.197 -5.956 1.161 1.00 0.00 C ATOM 480 C PRO A 34 22.105 -6.364 2.627 1.00 0.00 C ATOM 481 O PRO A 34 22.747 -7.322 3.055 1.00 0.00 O ATOM 482 CB PRO A 34 21.363 -6.897 0.290 1.00 0.00 C ATOM 483 CG PRO A 34 22.330 -7.922 -0.195 1.00 0.00 C ATOM 484 CD PRO A 34 23.645 -7.209 -0.349 1.00 0.00 C ATOM 0 HA PRO A 34 21.862 -4.919 1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.555 -7.354 0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.902 -6.363 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.413 -8.746 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 34 22.004 -8.349 -1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.487 -7.867 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 34 23.784 -6.836 -1.364 1.00 0.00 H new ATOM 492 N GLU A 35 21.301 -5.631 3.392 1.00 0.00 N ATOM 493 CA GLU A 35 21.125 -5.918 4.810 1.00 0.00 C ATOM 494 C GLU A 35 19.696 -6.367 5.102 1.00 0.00 C ATOM 495 O GLU A 35 18.767 -6.042 4.361 1.00 0.00 O ATOM 496 CB GLU A 35 21.466 -4.685 5.649 1.00 0.00 C ATOM 497 CG GLU A 35 22.003 -5.018 7.031 1.00 0.00 C ATOM 498 CD GLU A 35 20.902 -5.337 8.024 1.00 0.00 C ATOM 499 OE1 GLU A 35 20.044 -4.460 8.259 1.00 0.00 O ATOM 500 OE2 GLU A 35 20.899 -6.462 8.566 1.00 0.00 O ATOM 0 H GLU A 35 20.762 -4.834 3.053 1.00 0.00 H new ATOM 0 HA GLU A 35 21.803 -6.729 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.205 -4.086 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.573 -4.069 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 35 22.679 -5.870 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 35 22.589 -4.177 7.402 1.00 0.00 H new ATOM 507 N THR A 36 19.527 -7.117 6.187 1.00 0.00 N ATOM 508 CA THR A 36 18.213 -7.612 6.576 1.00 0.00 C ATOM 509 C THR A 36 17.420 -6.542 7.319 1.00 0.00 C ATOM 510 O THR A 36 17.761 -6.172 8.442 1.00 0.00 O ATOM 511 CB THR A 36 18.325 -8.863 7.467 1.00 0.00 C ATOM 512 OG1 THR A 36 19.141 -9.849 6.826 1.00 0.00 O ATOM 513 CG2 THR A 36 16.950 -9.446 7.758 1.00 0.00 C ATOM 0 H THR A 36 20.284 -7.395 6.812 1.00 0.00 H new ATOM 0 HA THR A 36 17.690 -7.876 5.657 1.00 0.00 H new ATOM 0 HB THR A 36 18.784 -8.570 8.411 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.209 -10.641 7.400 1.00 0.00 H new ATOM 0 HG21 THR A 36 17.055 -10.329 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.341 -8.703 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.467 -9.725 6.821 1.00 0.00 H new ATOM 521 N MET A 37 16.361 -6.049 6.685 1.00 0.00 N ATOM 522 CA MET A 37 15.519 -5.023 7.288 1.00 0.00 C ATOM 523 C MET A 37 14.058 -5.460 7.307 1.00 0.00 C ATOM 524 O MET A 37 13.711 -6.525 6.796 1.00 0.00 O ATOM 525 CB MET A 37 15.659 -3.704 6.524 1.00 0.00 C ATOM 526 CG MET A 37 17.011 -3.035 6.709 1.00 0.00 C ATOM 527 SD MET A 37 16.966 -1.268 6.351 1.00 0.00 S ATOM 528 CE MET A 37 17.289 -0.586 7.975 1.00 0.00 C ATOM 0 H MET A 37 16.066 -6.344 5.754 1.00 0.00 H new ATOM 0 HA MET A 37 15.849 -4.876 8.316 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.497 -3.890 5.462 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.876 -3.019 6.851 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.349 -3.186 7.734 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.742 -3.515 6.058 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.504 0.479 7.886 1.00 0.00 H new ATOM 0 HE2 MET A 37 16.414 -0.728 8.610 1.00 0.00 H new ATOM 0 HE3 MET A 37 18.146 -1.093 8.419 1.00 0.00 H new ATOM 538 N THR A 38 13.205 -4.632 7.901 1.00 0.00 N ATOM 539 CA THR A 38 11.782 -4.934 7.988 1.00 0.00 C ATOM 540 C THR A 38 10.941 -3.781 7.453 1.00 0.00 C ATOM 541 O THR A 38 11.151 -2.624 7.821 1.00 0.00 O ATOM 542 CB THR A 38 11.359 -5.233 9.439 1.00 0.00 C ATOM 543 OG1 THR A 38 12.132 -6.319 9.961 1.00 0.00 O ATOM 544 CG2 THR A 38 9.879 -5.577 9.511 1.00 0.00 C ATOM 0 H THR A 38 13.475 -3.747 8.329 1.00 0.00 H new ATOM 0 HA THR A 38 11.609 -5.820 7.377 1.00 0.00 H new ATOM 0 HB THR A 38 11.538 -4.340 10.038 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.858 -6.501 10.884 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.604 -5.784 10.545 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.292 -4.737 9.140 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.680 -6.457 8.899 1.00 0.00 H new ATOM 552 N CYS A 39 9.989 -4.102 6.584 1.00 0.00 N ATOM 553 CA CYS A 39 9.115 -3.092 5.998 1.00 0.00 C ATOM 554 C CYS A 39 7.650 -3.412 6.276 1.00 0.00 C ATOM 555 O CYS A 39 7.146 -4.460 5.872 1.00 0.00 O ATOM 556 CB CYS A 39 9.352 -2.996 4.490 1.00 0.00 C ATOM 557 SG CYS A 39 8.617 -1.535 3.719 1.00 0.00 S ATOM 0 H CYS A 39 9.803 -5.054 6.269 1.00 0.00 H new ATOM 0 HA CYS A 39 9.351 -2.132 6.457 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.426 -2.992 4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.948 -3.888 4.012 1.00 0.00 H new ATOM 0 HG CYS A 39 7.635 -1.899 2.949 1.00 0.00 H new ATOM 563 N ARG A 40 6.973 -2.503 6.970 1.00 0.00 N ATOM 564 CA ARG A 40 5.566 -2.690 7.304 1.00 0.00 C ATOM 565 C ARG A 40 4.806 -1.369 7.217 1.00 0.00 C ATOM 566 O ARG A 40 5.408 -0.295 7.189 1.00 0.00 O ATOM 567 CB ARG A 40 5.428 -3.278 8.710 1.00 0.00 C ATOM 568 CG ARG A 40 5.820 -2.312 9.816 1.00 0.00 C ATOM 569 CD ARG A 40 5.889 -3.009 11.166 1.00 0.00 C ATOM 570 NE ARG A 40 4.584 -3.068 11.818 1.00 0.00 N ATOM 571 CZ ARG A 40 4.422 -3.275 13.121 1.00 0.00 C ATOM 572 NH1 ARG A 40 5.478 -3.439 13.905 1.00 0.00 N ATOM 573 NH2 ARG A 40 3.202 -3.316 13.641 1.00 0.00 N ATOM 0 H ARG A 40 7.376 -1.630 7.312 1.00 0.00 H new ATOM 0 HA ARG A 40 5.136 -3.385 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.396 -3.593 8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.048 -4.172 8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.788 -1.867 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.097 -1.498 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.274 -4.020 11.033 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.593 -2.482 11.810 1.00 0.00 H new ATOM 0 HE ARG A 40 3.751 -2.944 11.242 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.417 -3.406 13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.351 -3.598 14.905 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.387 -3.189 13.041 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.079 -3.475 14.641 1.00 0.00 H new ATOM 587 N LEU A 41 3.482 -1.457 7.174 1.00 0.00 N ATOM 588 CA LEU A 41 2.639 -0.269 7.090 1.00 0.00 C ATOM 589 C LEU A 41 1.981 0.028 8.433 1.00 0.00 C ATOM 590 O LEU A 41 1.427 -0.864 9.076 1.00 0.00 O ATOM 591 CB LEU A 41 1.567 -0.456 6.014 1.00 0.00 C ATOM 592 CG LEU A 41 1.942 0.004 4.605 1.00 0.00 C ATOM 593 CD1 LEU A 41 1.184 -0.800 3.561 1.00 0.00 C ATOM 594 CD2 LEU A 41 1.667 1.491 4.439 1.00 0.00 C ATOM 0 H LEU A 41 2.968 -2.338 7.196 1.00 0.00 H new ATOM 0 HA LEU A 41 3.271 0.577 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.304 -1.513 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.672 0.083 6.324 1.00 0.00 H new ATOM 0 HG LEU A 41 3.009 -0.166 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.464 -0.458 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.431 -1.856 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.112 -0.663 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.940 1.801 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.607 1.686 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.257 2.053 5.163 1.00 0.00 H new ATOM 606 N SER A 42 2.044 1.288 8.851 1.00 0.00 N ATOM 607 CA SER A 42 1.456 1.704 10.119 1.00 0.00 C ATOM 608 C SER A 42 -0.043 1.419 10.142 1.00 0.00 C ATOM 609 O SER A 42 -0.611 0.950 9.157 1.00 0.00 O ATOM 610 CB SER A 42 1.707 3.194 10.359 1.00 0.00 C ATOM 611 OG SER A 42 1.527 3.528 11.724 1.00 0.00 O ATOM 0 H SER A 42 2.497 2.039 8.330 1.00 0.00 H new ATOM 0 HA SER A 42 1.930 1.131 10.916 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.720 3.450 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.027 3.784 9.744 1.00 0.00 H new ATOM 0 HG SER A 42 1.695 4.485 11.851 1.00 0.00 H new ATOM 617 N ASN A 43 -0.676 1.706 11.275 1.00 0.00 N ATOM 618 CA ASN A 43 -2.108 1.480 11.428 1.00 0.00 C ATOM 619 C ASN A 43 -2.888 2.146 10.298 1.00 0.00 C ATOM 620 O ASN A 43 -3.748 1.526 9.675 1.00 0.00 O ATOM 621 CB ASN A 43 -2.589 2.015 12.779 1.00 0.00 C ATOM 622 CG ASN A 43 -2.058 1.203 13.944 1.00 0.00 C ATOM 623 OD1 ASN A 43 -2.397 0.030 14.103 1.00 0.00 O ATOM 624 ND2 ASN A 43 -1.222 1.826 14.767 1.00 0.00 N ATOM 0 H ASN A 43 -0.220 2.095 12.100 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.287 0.406 11.385 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.274 3.053 12.889 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.679 2.009 12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.833 1.331 15.570 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.969 2.799 14.596 1.00 0.00 H new ATOM 631 N ASN A 44 -2.579 3.413 10.040 1.00 0.00 N ATOM 632 CA ASN A 44 -3.250 4.163 8.985 1.00 0.00 C ATOM 633 C ASN A 44 -3.034 3.504 7.627 1.00 0.00 C ATOM 634 O ASN A 44 -3.783 3.749 6.681 1.00 0.00 O ATOM 635 CB ASN A 44 -2.739 5.605 8.952 1.00 0.00 C ATOM 636 CG ASN A 44 -1.247 5.683 8.691 1.00 0.00 C ATOM 637 OD1 ASN A 44 -0.659 4.772 8.107 1.00 0.00 O ATOM 638 ND2 ASN A 44 -0.627 6.775 9.123 1.00 0.00 N ATOM 0 H ASN A 44 -1.869 3.941 10.547 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.319 4.168 9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.270 6.158 8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.965 6.090 9.902 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.376 6.884 8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.154 7.505 9.602 1.00 0.00 H new ATOM 645 N GLN A 45 -2.006 2.666 7.538 1.00 0.00 N ATOM 646 CA GLN A 45 -1.692 1.971 6.295 1.00 0.00 C ATOM 647 C GLN A 45 -1.580 2.955 5.135 1.00 0.00 C ATOM 648 O GLN A 45 -2.066 2.691 4.036 1.00 0.00 O ATOM 649 CB GLN A 45 -2.762 0.922 5.988 1.00 0.00 C ATOM 650 CG GLN A 45 -2.558 -0.390 6.728 1.00 0.00 C ATOM 651 CD GLN A 45 -3.223 -1.561 6.032 1.00 0.00 C ATOM 652 OE1 GLN A 45 -2.539 -2.699 6.002 1.00 0.00 O flip ATOM 653 NE2 GLN A 45 -4.341 -1.446 5.528 1.00 0.00 N flip ATOM 0 H GLN A 45 -1.377 2.452 8.312 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.730 1.473 6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.740 1.327 6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.771 0.727 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.490 -0.587 6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.956 -0.299 7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.832 -0.553 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.776 -2.244 5.065 1.00 0.00 H new ATOM 662 N ARG A 46 -0.936 4.090 5.389 1.00 0.00 N ATOM 663 CA ARG A 46 -0.761 5.113 4.366 1.00 0.00 C ATOM 664 C ARG A 46 0.715 5.459 4.189 1.00 0.00 C ATOM 665 O ARG A 46 1.130 5.933 3.131 1.00 0.00 O ATOM 666 CB ARG A 46 -1.550 6.371 4.733 1.00 0.00 C ATOM 667 CG ARG A 46 -3.049 6.234 4.520 1.00 0.00 C ATOM 668 CD ARG A 46 -3.436 6.532 3.080 1.00 0.00 C ATOM 669 NE ARG A 46 -4.879 6.441 2.871 1.00 0.00 N ATOM 670 CZ ARG A 46 -5.515 7.030 1.864 1.00 0.00 C ATOM 671 NH1 ARG A 46 -4.838 7.748 0.979 1.00 0.00 N ATOM 672 NH2 ARG A 46 -6.830 6.901 1.742 1.00 0.00 N ATOM 0 H ARG A 46 -0.527 4.324 6.294 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.139 4.717 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.361 6.616 5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.182 7.207 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.364 5.224 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.576 6.915 5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.093 7.531 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.929 5.832 2.416 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.429 5.895 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.827 7.849 1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.328 8.199 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.354 6.349 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.317 7.354 0.969 1.00 0.00 H new ATOM 686 N TYR A 47 1.502 5.220 5.232 1.00 0.00 N ATOM 687 CA TYR A 47 2.930 5.509 5.194 1.00 0.00 C ATOM 688 C TYR A 47 3.749 4.244 5.435 1.00 0.00 C ATOM 689 O TYR A 47 3.328 3.348 6.169 1.00 0.00 O ATOM 690 CB TYR A 47 3.286 6.567 6.240 1.00 0.00 C ATOM 691 CG TYR A 47 2.837 7.961 5.868 1.00 0.00 C ATOM 692 CD1 TYR A 47 3.649 8.794 5.107 1.00 0.00 C ATOM 693 CD2 TYR A 47 1.602 8.447 6.277 1.00 0.00 C ATOM 694 CE1 TYR A 47 3.243 10.069 4.764 1.00 0.00 C ATOM 695 CE2 TYR A 47 1.187 9.721 5.939 1.00 0.00 C ATOM 696 CZ TYR A 47 2.011 10.528 5.182 1.00 0.00 C ATOM 697 OH TYR A 47 1.602 11.798 4.844 1.00 0.00 O ATOM 0 H TYR A 47 1.175 4.827 6.114 1.00 0.00 H new ATOM 0 HA TYR A 47 3.170 5.892 4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.834 6.291 7.192 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.366 6.570 6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.614 8.438 4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.954 7.818 6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.886 10.703 4.172 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.223 10.083 6.266 1.00 0.00 H new ATOM 0 HH TYR A 47 0.711 11.964 5.216 1.00 0.00 H new ATOM 707 N LEU A 48 4.920 4.177 4.812 1.00 0.00 N ATOM 708 CA LEU A 48 5.800 3.023 4.957 1.00 0.00 C ATOM 709 C LEU A 48 6.893 3.298 5.986 1.00 0.00 C ATOM 710 O LEU A 48 7.353 4.430 6.130 1.00 0.00 O ATOM 711 CB LEU A 48 6.430 2.664 3.611 1.00 0.00 C ATOM 712 CG LEU A 48 5.640 1.686 2.740 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.306 1.522 1.383 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.505 0.340 3.437 1.00 0.00 C ATOM 0 H LEU A 48 5.282 4.909 4.201 1.00 0.00 H new ATOM 0 HA LEU A 48 5.201 2.182 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.580 3.584 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.417 2.239 3.796 1.00 0.00 H new ATOM 0 HG LEU A 48 4.641 2.093 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.730 0.823 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.349 2.488 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.317 1.138 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.940 -0.343 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.496 -0.074 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.982 0.472 4.384 1.00 0.00 H new ATOM 726 N PHE A 49 7.305 2.253 6.697 1.00 0.00 N ATOM 727 CA PHE A 49 8.345 2.381 7.711 1.00 0.00 C ATOM 728 C PHE A 49 9.335 1.223 7.624 1.00 0.00 C ATOM 729 O PHE A 49 8.956 0.088 7.330 1.00 0.00 O ATOM 730 CB PHE A 49 7.722 2.431 9.107 1.00 0.00 C ATOM 731 CG PHE A 49 6.784 3.588 9.304 1.00 0.00 C ATOM 732 CD1 PHE A 49 5.482 3.529 8.834 1.00 0.00 C ATOM 733 CD2 PHE A 49 7.204 4.734 9.960 1.00 0.00 C ATOM 734 CE1 PHE A 49 4.617 4.592 9.013 1.00 0.00 C ATOM 735 CE2 PHE A 49 6.344 5.800 10.143 1.00 0.00 C ATOM 736 CZ PHE A 49 5.048 5.728 9.670 1.00 0.00 C ATOM 0 H PHE A 49 6.935 1.309 6.589 1.00 0.00 H new ATOM 0 HA PHE A 49 8.884 3.311 7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.183 1.501 9.289 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.518 2.488 9.850 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.139 2.642 8.322 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.216 4.795 10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.605 4.534 8.640 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.684 6.688 10.655 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.373 6.559 9.814 1.00 0.00 H new ATOM 746 N LEU A 50 10.604 1.518 7.881 1.00 0.00 N ATOM 747 CA LEU A 50 11.650 0.502 7.832 1.00 0.00 C ATOM 748 C LEU A 50 12.264 0.286 9.212 1.00 0.00 C ATOM 749 O LEU A 50 12.145 1.135 10.095 1.00 0.00 O ATOM 750 CB LEU A 50 12.737 0.908 6.836 1.00 0.00 C ATOM 751 CG LEU A 50 12.256 1.279 5.432 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.316 2.087 4.700 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.896 0.029 4.644 1.00 0.00 C ATOM 0 H LEU A 50 10.934 2.452 8.125 1.00 0.00 H new ATOM 0 HA LEU A 50 11.198 -0.434 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.281 1.758 7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.448 0.086 6.750 1.00 0.00 H new ATOM 0 HG LEU A 50 11.361 1.894 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.956 2.341 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.524 3.002 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.229 1.498 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.556 0.312 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.773 -0.613 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.101 -0.510 5.159 1.00 0.00 H new ATOM 765 N ASP A 51 12.924 -0.854 9.388 1.00 0.00 N ATOM 766 CA ASP A 51 13.560 -1.180 10.659 1.00 0.00 C ATOM 767 C ASP A 51 14.798 -2.044 10.441 1.00 0.00 C ATOM 768 O ASP A 51 14.743 -3.064 9.755 1.00 0.00 O ATOM 769 CB ASP A 51 12.573 -1.904 11.577 1.00 0.00 C ATOM 770 CG ASP A 51 11.605 -0.952 12.251 1.00 0.00 C ATOM 771 OD1 ASP A 51 12.026 -0.241 13.188 1.00 0.00 O ATOM 772 OD2 ASP A 51 10.426 -0.917 11.841 1.00 0.00 O ATOM 0 H ASP A 51 13.032 -1.567 8.667 1.00 0.00 H new ATOM 0 HA ASP A 51 13.868 -0.248 11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.013 -2.637 10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.126 -2.455 12.338 1.00 0.00 H new ATOM 777 N GLY A 52 15.916 -1.627 11.028 1.00 0.00 N ATOM 778 CA GLY A 52 17.152 -2.374 10.884 1.00 0.00 C ATOM 779 C GLY A 52 18.366 -1.571 11.307 1.00 0.00 C ATOM 780 O GLY A 52 18.363 -0.937 12.362 1.00 0.00 O ATOM 0 H GLY A 52 15.988 -0.786 11.600 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.095 -3.284 11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.268 -2.682 9.845 1.00 0.00 H new ATOM 784 N ASP A 53 19.408 -1.600 10.483 1.00 0.00 N ATOM 785 CA ASP A 53 20.636 -0.869 10.778 1.00 0.00 C ATOM 786 C ASP A 53 20.330 0.439 11.500 1.00 0.00 C ATOM 787 O ASP A 53 20.999 0.796 12.470 1.00 0.00 O ATOM 788 CB ASP A 53 21.408 -0.586 9.488 1.00 0.00 C ATOM 789 CG ASP A 53 22.280 -1.753 9.068 1.00 0.00 C ATOM 790 OD1 ASP A 53 22.873 -2.401 9.956 1.00 0.00 O ATOM 791 OD2 ASP A 53 22.371 -2.018 7.851 1.00 0.00 O ATOM 0 H ASP A 53 19.427 -2.121 9.606 1.00 0.00 H new ATOM 0 HA ASP A 53 21.250 -1.488 11.432 1.00 0.00 H new ATOM 0 HB2 ASP A 53 20.703 -0.357 8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 53 22.031 0.298 9.627 1.00 0.00 H new ATOM 796 N SER A 54 19.316 1.151 11.019 1.00 0.00 N ATOM 797 CA SER A 54 18.924 2.423 11.615 1.00 0.00 C ATOM 798 C SER A 54 17.443 2.701 11.378 1.00 0.00 C ATOM 799 O SER A 54 16.776 1.982 10.633 1.00 0.00 O ATOM 800 CB SER A 54 19.767 3.562 11.038 1.00 0.00 C ATOM 801 OG SER A 54 21.093 3.517 11.535 1.00 0.00 O ATOM 0 H SER A 54 18.751 0.869 10.218 1.00 0.00 H new ATOM 0 HA SER A 54 19.097 2.361 12.689 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.780 3.494 9.950 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.312 4.520 11.292 1.00 0.00 H new ATOM 0 HG SER A 54 21.224 2.689 12.042 1.00 0.00 H new ATOM 807 N HIS A 55 16.934 3.750 12.017 1.00 0.00 N ATOM 808 CA HIS A 55 15.532 4.124 11.877 1.00 0.00 C ATOM 809 C HIS A 55 15.287 4.820 10.541 1.00 0.00 C ATOM 810 O HIS A 55 15.734 5.947 10.325 1.00 0.00 O ATOM 811 CB HIS A 55 15.108 5.039 13.026 1.00 0.00 C ATOM 812 CG HIS A 55 15.288 4.422 14.379 1.00 0.00 C ATOM 813 ND1 HIS A 55 14.306 3.683 15.006 1.00 0.00 N ATOM 814 CD2 HIS A 55 16.344 4.436 15.226 1.00 0.00 C ATOM 815 CE1 HIS A 55 14.751 3.271 16.180 1.00 0.00 C ATOM 816 NE2 HIS A 55 15.985 3.714 16.337 1.00 0.00 N ATOM 0 H HIS A 55 17.472 4.356 12.637 1.00 0.00 H new ATOM 0 HA HIS A 55 14.934 3.213 11.909 1.00 0.00 H new ATOM 0 HB2 HIS A 55 15.685 5.962 12.977 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.060 5.311 12.896 1.00 0.00 H new ATOM 0 HD2 HIS A 55 17.293 4.924 15.059 1.00 0.00 H new ATOM 0 HE1 HIS A 55 14.199 2.673 16.890 1.00 0.00 H new ATOM 0 HE2 HIS A 55 16.576 3.547 17.152 1.00 0.00 H new ATOM 824 N TYR A 56 14.575 4.142 9.648 1.00 0.00 N ATOM 825 CA TYR A 56 14.273 4.693 8.332 1.00 0.00 C ATOM 826 C TYR A 56 12.766 4.778 8.110 1.00 0.00 C ATOM 827 O TYR A 56 11.993 4.064 8.747 1.00 0.00 O ATOM 828 CB TYR A 56 14.914 3.837 7.238 1.00 0.00 C ATOM 829 CG TYR A 56 16.314 4.273 6.871 1.00 0.00 C ATOM 830 CD1 TYR A 56 17.374 4.085 7.750 1.00 0.00 C ATOM 831 CD2 TYR A 56 16.578 4.872 5.646 1.00 0.00 C ATOM 832 CE1 TYR A 56 18.655 4.482 7.419 1.00 0.00 C ATOM 833 CE2 TYR A 56 17.856 5.271 5.306 1.00 0.00 C ATOM 834 CZ TYR A 56 18.891 5.074 6.196 1.00 0.00 C ATOM 835 OH TYR A 56 20.166 5.470 5.862 1.00 0.00 O ATOM 0 H TYR A 56 14.196 3.209 9.811 1.00 0.00 H new ATOM 0 HA TYR A 56 14.686 5.700 8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.941 2.799 7.570 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.287 3.871 6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.193 3.621 8.708 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.770 5.029 4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 56 19.467 4.330 8.114 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.044 5.735 4.349 1.00 0.00 H new ATOM 0 HH TYR A 56 20.161 5.868 4.966 1.00 0.00 H new ATOM 845 N GLU A 57 12.358 5.658 7.201 1.00 0.00 N ATOM 846 CA GLU A 57 10.943 5.837 6.894 1.00 0.00 C ATOM 847 C GLU A 57 10.754 6.291 5.449 1.00 0.00 C ATOM 848 O GLU A 57 11.314 7.303 5.027 1.00 0.00 O ATOM 849 CB GLU A 57 10.317 6.858 7.847 1.00 0.00 C ATOM 850 CG GLU A 57 10.497 6.509 9.315 1.00 0.00 C ATOM 851 CD GLU A 57 10.152 7.664 10.235 1.00 0.00 C ATOM 852 OE1 GLU A 57 9.124 8.330 9.992 1.00 0.00 O ATOM 853 OE2 GLU A 57 10.911 7.901 11.198 1.00 0.00 O ATOM 0 H GLU A 57 12.986 6.257 6.665 1.00 0.00 H new ATOM 0 HA GLU A 57 10.444 4.876 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.758 7.837 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.252 6.940 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.869 5.653 9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.530 6.207 9.489 1.00 0.00 H new ATOM 860 N ILE A 58 9.960 5.536 4.697 1.00 0.00 N ATOM 861 CA ILE A 58 9.696 5.860 3.301 1.00 0.00 C ATOM 862 C ILE A 58 8.282 6.402 3.120 1.00 0.00 C ATOM 863 O ILE A 58 7.318 5.640 3.067 1.00 0.00 O ATOM 864 CB ILE A 58 9.883 4.630 2.392 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.308 4.089 2.516 1.00 0.00 C ATOM 866 CG2 ILE A 58 9.569 4.987 0.947 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.441 2.639 2.107 1.00 0.00 C ATOM 0 H ILE A 58 9.488 4.696 5.031 1.00 0.00 H new ATOM 0 HA ILE A 58 10.416 6.627 3.014 1.00 0.00 H new ATOM 0 HB ILE A 58 9.190 3.851 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.973 4.694 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.641 4.199 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.706 4.108 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.537 5.330 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.239 5.780 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.478 2.323 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.802 2.023 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.139 2.525 1.066 1.00 0.00 H new ATOM 879 N GLU A 59 8.169 7.723 3.025 1.00 0.00 N ATOM 880 CA GLU A 59 6.872 8.366 2.849 1.00 0.00 C ATOM 881 C GLU A 59 6.277 8.028 1.485 1.00 0.00 C ATOM 882 O GLU A 59 6.759 8.495 0.453 1.00 0.00 O ATOM 883 CB GLU A 59 7.006 9.883 2.996 1.00 0.00 C ATOM 884 CG GLU A 59 6.852 10.372 4.427 1.00 0.00 C ATOM 885 CD GLU A 59 7.164 11.848 4.576 1.00 0.00 C ATOM 886 OE1 GLU A 59 8.343 12.224 4.410 1.00 0.00 O ATOM 887 OE2 GLU A 59 6.230 12.627 4.859 1.00 0.00 O ATOM 0 H GLU A 59 8.958 8.368 3.067 1.00 0.00 H new ATOM 0 HA GLU A 59 6.202 7.990 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.981 10.191 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.255 10.368 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.832 10.184 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.513 9.798 5.076 1.00 0.00 H new ATOM 894 N ILE A 60 5.228 7.212 1.490 1.00 0.00 N ATOM 895 CA ILE A 60 4.567 6.811 0.254 1.00 0.00 C ATOM 896 C ILE A 60 4.271 8.020 -0.628 1.00 0.00 C ATOM 897 O ILE A 60 4.544 8.007 -1.828 1.00 0.00 O ATOM 898 CB ILE A 60 3.252 6.062 0.537 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.534 4.756 1.283 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.509 5.786 -0.763 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.296 3.923 1.532 1.00 0.00 C ATOM 0 H ILE A 60 4.818 6.816 2.336 1.00 0.00 H new ATOM 0 HA ILE A 60 5.251 6.142 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 60 2.622 6.690 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.249 4.167 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.005 4.987 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.581 5.256 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.281 6.729 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.132 5.175 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.571 3.013 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.588 4.494 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.836 3.661 0.579 1.00 0.00 H new ATOM 913 N VAL A 61 3.712 9.064 -0.024 1.00 0.00 N ATOM 914 CA VAL A 61 3.381 10.282 -0.754 1.00 0.00 C ATOM 915 C VAL A 61 4.556 10.747 -1.607 1.00 0.00 C ATOM 916 O VAL A 61 4.370 11.255 -2.714 1.00 0.00 O ATOM 917 CB VAL A 61 2.976 11.417 0.205 1.00 0.00 C ATOM 918 CG1 VAL A 61 2.011 10.905 1.263 1.00 0.00 C ATOM 919 CG2 VAL A 61 4.208 12.035 0.850 1.00 0.00 C ATOM 0 H VAL A 61 3.479 9.091 0.969 1.00 0.00 H new ATOM 0 HA VAL A 61 2.537 10.045 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 61 2.468 12.191 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.737 11.722 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.115 10.515 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.489 10.111 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.903 12.835 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.746 11.272 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.859 12.441 0.076 1.00 0.00 H new ATOM 929 N HIS A 62 5.766 10.570 -1.087 1.00 0.00 N ATOM 930 CA HIS A 62 6.972 10.970 -1.802 1.00 0.00 C ATOM 931 C HIS A 62 7.273 10.004 -2.944 1.00 0.00 C ATOM 932 O HIS A 62 7.702 10.417 -4.022 1.00 0.00 O ATOM 933 CB HIS A 62 8.162 11.032 -0.844 1.00 0.00 C ATOM 934 CG HIS A 62 8.338 12.369 -0.193 1.00 0.00 C ATOM 935 ND1 HIS A 62 9.168 13.348 -0.696 1.00 0.00 N ATOM 936 CD2 HIS A 62 7.783 12.887 0.928 1.00 0.00 C ATOM 937 CE1 HIS A 62 9.118 14.410 0.087 1.00 0.00 C ATOM 938 NE2 HIS A 62 8.284 14.157 1.080 1.00 0.00 N ATOM 0 H HIS A 62 5.937 10.152 -0.173 1.00 0.00 H new ATOM 0 HA HIS A 62 6.802 11.961 -2.223 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.035 10.274 -0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.071 10.781 -1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.078 12.394 1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.666 15.329 -0.059 1.00 0.00 H new ATOM 0 HE2 HIS A 62 8.050 14.800 1.836 1.00 0.00 H new ATOM 946 N ILE A 63 7.045 8.718 -2.700 1.00 0.00 N ATOM 947 CA ILE A 63 7.292 7.694 -3.708 1.00 0.00 C ATOM 948 C ILE A 63 6.610 8.046 -5.026 1.00 0.00 C ATOM 949 O ILE A 63 5.394 8.228 -5.079 1.00 0.00 O ATOM 950 CB ILE A 63 6.797 6.313 -3.240 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.411 5.960 -1.883 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.138 5.250 -4.274 1.00 0.00 C ATOM 953 CD1 ILE A 63 6.963 4.618 -1.348 1.00 0.00 C ATOM 0 H ILE A 63 6.690 8.360 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 63 8.371 7.652 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 63 5.713 6.350 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.497 5.962 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.150 6.735 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.782 4.279 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.659 5.497 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.218 5.211 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.437 4.434 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.880 4.618 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.248 3.833 -2.049 1.00 0.00 H new ATOM 965 N SER A 64 7.403 8.139 -6.089 1.00 0.00 N ATOM 966 CA SER A 64 6.877 8.470 -7.408 1.00 0.00 C ATOM 967 C SER A 64 6.613 7.206 -8.221 1.00 0.00 C ATOM 968 O SER A 64 5.508 6.996 -8.723 1.00 0.00 O ATOM 969 CB SER A 64 7.855 9.377 -8.158 1.00 0.00 C ATOM 970 OG SER A 64 7.412 9.622 -9.481 1.00 0.00 O ATOM 0 H SER A 64 8.412 7.990 -6.062 1.00 0.00 H new ATOM 0 HA SER A 64 5.933 8.998 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.960 10.322 -7.626 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.841 8.913 -8.182 1.00 0.00 H new ATOM 0 HG SER A 64 8.053 10.205 -9.938 1.00 0.00 H new ATOM 976 N THR A 65 7.635 6.366 -8.347 1.00 0.00 N ATOM 977 CA THR A 65 7.516 5.124 -9.099 1.00 0.00 C ATOM 978 C THR A 65 7.402 3.924 -8.165 1.00 0.00 C ATOM 979 O THR A 65 8.005 3.901 -7.092 1.00 0.00 O ATOM 980 CB THR A 65 8.720 4.917 -10.037 1.00 0.00 C ATOM 981 OG1 THR A 65 8.854 6.039 -10.917 1.00 0.00 O ATOM 982 CG2 THR A 65 8.557 3.643 -10.853 1.00 0.00 C ATOM 0 H THR A 65 8.556 6.524 -7.937 1.00 0.00 H new ATOM 0 HA THR A 65 6.608 5.203 -9.697 1.00 0.00 H new ATOM 0 HB THR A 65 9.618 4.826 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.623 5.901 -11.509 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.419 3.518 -11.508 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.484 2.788 -10.181 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.651 3.710 -11.455 1.00 0.00 H new ATOM 990 N VAL A 66 6.625 2.928 -8.580 1.00 0.00 N ATOM 991 CA VAL A 66 6.434 1.724 -7.781 1.00 0.00 C ATOM 992 C VAL A 66 6.315 0.490 -8.667 1.00 0.00 C ATOM 993 O VAL A 66 5.285 0.268 -9.303 1.00 0.00 O ATOM 994 CB VAL A 66 5.178 1.831 -6.896 1.00 0.00 C ATOM 995 CG1 VAL A 66 4.962 0.543 -6.117 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.289 3.021 -5.955 1.00 0.00 C ATOM 0 H VAL A 66 6.118 2.932 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 66 7.312 1.625 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 66 4.313 1.986 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.070 0.638 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.834 -0.286 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.827 0.353 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.393 3.081 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.163 2.899 -5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.391 3.937 -6.537 1.00 0.00 H new ATOM 1006 N GLN A 67 7.375 -0.311 -8.703 1.00 0.00 N ATOM 1007 CA GLN A 67 7.388 -1.524 -9.512 1.00 0.00 C ATOM 1008 C GLN A 67 7.925 -2.707 -8.712 1.00 0.00 C ATOM 1009 O GLN A 67 8.595 -2.527 -7.695 1.00 0.00 O ATOM 1010 CB GLN A 67 8.237 -1.316 -10.768 1.00 0.00 C ATOM 1011 CG GLN A 67 9.726 -1.196 -10.482 1.00 0.00 C ATOM 1012 CD GLN A 67 10.451 -0.351 -11.511 1.00 0.00 C ATOM 1013 OE1 GLN A 67 10.143 0.827 -11.692 1.00 0.00 O ATOM 1014 NE2 GLN A 67 11.420 -0.951 -12.193 1.00 0.00 N ATOM 0 H GLN A 67 8.235 -0.142 -8.182 1.00 0.00 H new ATOM 0 HA GLN A 67 6.362 -1.744 -9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.072 -2.150 -11.450 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.900 -0.414 -11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.868 -0.759 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.169 -2.192 -10.458 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.642 -1.930 -12.010 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.942 -0.433 -12.900 1.00 0.00 H new ATOM 1023 N ILE A 68 7.625 -3.914 -9.177 1.00 0.00 N ATOM 1024 CA ILE A 68 8.078 -5.126 -8.505 1.00 0.00 C ATOM 1025 C ILE A 68 9.190 -5.809 -9.293 1.00 0.00 C ATOM 1026 O ILE A 68 9.097 -5.966 -10.511 1.00 0.00 O ATOM 1027 CB ILE A 68 6.922 -6.123 -8.302 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.853 -5.519 -7.388 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.444 -7.429 -7.723 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.573 -6.323 -7.340 1.00 0.00 C ATOM 0 H ILE A 68 7.070 -4.080 -10.017 1.00 0.00 H new ATOM 0 HA ILE A 68 8.460 -4.822 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 68 6.469 -6.333 -9.271 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.256 -5.433 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.625 -4.509 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.615 -8.123 -7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.172 -7.865 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.919 -7.236 -6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.862 -5.835 -6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.146 -6.388 -8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.787 -7.326 -6.971 1.00 0.00 H new ATOM 1042 N LEU A 69 10.242 -6.215 -8.590 1.00 0.00 N ATOM 1043 CA LEU A 69 11.373 -6.884 -9.224 1.00 0.00 C ATOM 1044 C LEU A 69 11.104 -8.377 -9.382 1.00 0.00 C ATOM 1045 O LEU A 69 10.807 -9.072 -8.409 1.00 0.00 O ATOM 1046 CB LEU A 69 12.645 -6.667 -8.401 1.00 0.00 C ATOM 1047 CG LEU A 69 13.151 -5.227 -8.314 1.00 0.00 C ATOM 1048 CD1 LEU A 69 14.292 -5.122 -7.315 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.591 -4.733 -9.684 1.00 0.00 C ATOM 0 H LEU A 69 10.335 -6.093 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 69 11.510 -6.452 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.465 -7.029 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.437 -7.284 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 69 12.333 -4.595 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.639 -4.090 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.944 -5.434 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.112 -5.766 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.948 -3.706 -9.603 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.394 -5.368 -10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.747 -4.770 -10.373 1.00 0.00 H new ATOM 1061 N THR A 70 11.212 -8.866 -10.613 1.00 0.00 N ATOM 1062 CA THR A 70 10.981 -10.276 -10.899 1.00 0.00 C ATOM 1063 C THR A 70 12.111 -10.858 -11.741 1.00 0.00 C ATOM 1064 O THR A 70 12.586 -10.223 -12.681 1.00 0.00 O ATOM 1065 CB THR A 70 9.645 -10.489 -11.635 1.00 0.00 C ATOM 1066 OG1 THR A 70 9.561 -9.610 -12.762 1.00 0.00 O ATOM 1067 CG2 THR A 70 8.468 -10.241 -10.704 1.00 0.00 C ATOM 0 H THR A 70 11.458 -8.305 -11.429 1.00 0.00 H new ATOM 0 HA THR A 70 10.944 -10.791 -9.939 1.00 0.00 H new ATOM 0 HB THR A 70 9.605 -11.523 -11.977 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.709 -9.753 -13.226 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.536 -10.398 -11.247 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.518 -10.931 -9.862 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.505 -9.216 -10.335 1.00 0.00 H new ATOM 1214 N ALA A 82 7.349 -13.360 -7.516 1.00 0.00 N ATOM 1215 CA ALA A 82 7.949 -12.074 -7.186 1.00 0.00 C ATOM 1216 C ALA A 82 8.911 -12.201 -6.010 1.00 0.00 C ATOM 1217 O ALA A 82 8.497 -12.473 -4.882 1.00 0.00 O ATOM 1218 CB ALA A 82 6.866 -11.050 -6.877 1.00 0.00 C ATOM 0 HA ALA A 82 8.519 -11.735 -8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.329 -10.094 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.221 -10.929 -7.747 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.272 -11.393 -6.030 1.00 0.00 H new ATOM 1224 N THR A 83 10.198 -12.003 -6.279 1.00 0.00 N ATOM 1225 CA THR A 83 11.218 -12.098 -5.243 1.00 0.00 C ATOM 1226 C THR A 83 12.028 -10.810 -5.150 1.00 0.00 C ATOM 1227 O THR A 83 13.252 -10.841 -5.029 1.00 0.00 O ATOM 1228 CB THR A 83 12.177 -13.275 -5.505 1.00 0.00 C ATOM 1229 OG1 THR A 83 13.086 -13.420 -4.408 1.00 0.00 O ATOM 1230 CG2 THR A 83 12.958 -13.061 -6.793 1.00 0.00 C ATOM 0 H THR A 83 10.558 -11.776 -7.206 1.00 0.00 H new ATOM 0 HA THR A 83 10.697 -12.266 -4.301 1.00 0.00 H new ATOM 0 HB THR A 83 11.583 -14.183 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.579 -12.583 -4.279 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.628 -13.905 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.264 -12.981 -7.630 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.542 -12.144 -6.716 1.00 0.00 H new ATOM 1238 N GLY A 84 11.336 -9.676 -5.205 1.00 0.00 N ATOM 1239 CA GLY A 84 12.007 -8.392 -5.124 1.00 0.00 C ATOM 1240 C GLY A 84 11.048 -7.226 -5.258 1.00 0.00 C ATOM 1241 O GLY A 84 9.852 -7.420 -5.475 1.00 0.00 O ATOM 0 H GLY A 84 10.322 -9.624 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.531 -8.319 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.761 -8.330 -5.908 1.00 0.00 H new ATOM 1245 N MET A 85 11.572 -6.012 -5.125 1.00 0.00 N ATOM 1246 CA MET A 85 10.753 -4.810 -5.232 1.00 0.00 C ATOM 1247 C MET A 85 11.622 -3.579 -5.470 1.00 0.00 C ATOM 1248 O MET A 85 12.638 -3.387 -4.802 1.00 0.00 O ATOM 1249 CB MET A 85 9.918 -4.623 -3.964 1.00 0.00 C ATOM 1250 CG MET A 85 8.900 -3.498 -4.067 1.00 0.00 C ATOM 1251 SD MET A 85 7.552 -3.669 -2.883 1.00 0.00 S ATOM 1252 CE MET A 85 6.205 -4.133 -3.968 1.00 0.00 C ATOM 0 H MET A 85 12.560 -5.835 -4.943 1.00 0.00 H new ATOM 0 HA MET A 85 10.084 -4.930 -6.084 1.00 0.00 H new ATOM 0 HB2 MET A 85 9.397 -5.554 -3.741 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.585 -4.423 -3.126 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.401 -2.544 -3.905 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.490 -3.475 -5.077 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.258 -3.820 -3.527 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.333 -3.647 -4.935 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.202 -5.215 -4.103 1.00 0.00 H new ATOM 1262 N PHE A 86 11.215 -2.749 -6.424 1.00 0.00 N ATOM 1263 CA PHE A 86 11.958 -1.537 -6.751 1.00 0.00 C ATOM 1264 C PHE A 86 11.079 -0.300 -6.587 1.00 0.00 C ATOM 1265 O PHE A 86 10.102 -0.118 -7.315 1.00 0.00 O ATOM 1266 CB PHE A 86 12.492 -1.611 -8.182 1.00 0.00 C ATOM 1267 CG PHE A 86 13.566 -0.602 -8.474 1.00 0.00 C ATOM 1268 CD1 PHE A 86 14.881 -0.848 -8.114 1.00 0.00 C ATOM 1269 CD2 PHE A 86 13.260 0.591 -9.109 1.00 0.00 C ATOM 1270 CE1 PHE A 86 15.871 0.079 -8.381 1.00 0.00 C ATOM 1271 CE2 PHE A 86 14.246 1.521 -9.379 1.00 0.00 C ATOM 1272 CZ PHE A 86 15.554 1.264 -9.015 1.00 0.00 C ATOM 0 H PHE A 86 10.375 -2.893 -6.984 1.00 0.00 H new ATOM 0 HA PHE A 86 12.798 -1.458 -6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.885 -2.611 -8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.666 -1.462 -8.878 1.00 0.00 H new ATOM 0 HD1 PHE A 86 15.135 -1.774 -7.620 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.239 0.796 -9.396 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.892 -0.124 -8.094 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.995 2.447 -9.874 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.327 1.988 -9.226 1.00 0.00 H new ATOM 1282 N LEU A 87 11.433 0.546 -5.626 1.00 0.00 N ATOM 1283 CA LEU A 87 10.677 1.766 -5.364 1.00 0.00 C ATOM 1284 C LEU A 87 11.550 3.001 -5.564 1.00 0.00 C ATOM 1285 O LEU A 87 12.773 2.932 -5.450 1.00 0.00 O ATOM 1286 CB LEU A 87 10.118 1.748 -3.941 1.00 0.00 C ATOM 1287 CG LEU A 87 9.247 0.545 -3.577 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.188 0.365 -2.068 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.847 0.706 -4.151 1.00 0.00 C ATOM 0 H LEU A 87 12.239 0.410 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 87 9.849 1.810 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.954 1.790 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.532 2.654 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 87 9.696 -0.348 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.564 -0.496 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.194 0.202 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.764 1.259 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.242 -0.160 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.389 1.609 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.906 0.784 -5.237 1.00 0.00 H new ATOM 1301 N GLN A 88 10.912 4.128 -5.861 1.00 0.00 N ATOM 1302 CA GLN A 88 11.632 5.378 -6.075 1.00 0.00 C ATOM 1303 C GLN A 88 10.973 6.523 -5.311 1.00 0.00 C ATOM 1304 O GLN A 88 9.758 6.708 -5.378 1.00 0.00 O ATOM 1305 CB GLN A 88 11.687 5.710 -7.567 1.00 0.00 C ATOM 1306 CG GLN A 88 12.547 4.750 -8.372 1.00 0.00 C ATOM 1307 CD GLN A 88 13.006 5.342 -9.690 1.00 0.00 C ATOM 1308 OE1 GLN A 88 12.761 4.777 -10.757 1.00 0.00 O ATOM 1309 NE2 GLN A 88 13.676 6.487 -9.624 1.00 0.00 N ATOM 0 H GLN A 88 9.899 4.202 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 88 12.648 5.252 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.674 5.703 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.072 6.722 -7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.419 4.467 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.983 3.837 -8.565 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.857 6.921 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.010 6.933 -10.479 1.00 0.00 H new ATOM 1318 N TYR A 89 11.783 7.287 -4.587 1.00 0.00 N ATOM 1319 CA TYR A 89 11.278 8.412 -3.808 1.00 0.00 C ATOM 1320 C TYR A 89 12.302 9.542 -3.758 1.00 0.00 C ATOM 1321 O TYR A 89 13.473 9.351 -4.087 1.00 0.00 O ATOM 1322 CB TYR A 89 10.929 7.961 -2.389 1.00 0.00 C ATOM 1323 CG TYR A 89 11.955 7.032 -1.779 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.105 7.532 -1.182 1.00 0.00 C ATOM 1325 CD2 TYR A 89 11.774 5.655 -1.802 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.045 6.687 -0.624 1.00 0.00 C ATOM 1327 CE2 TYR A 89 12.708 4.802 -1.245 1.00 0.00 C ATOM 1328 CZ TYR A 89 13.842 5.323 -0.658 1.00 0.00 C ATOM 1329 OH TYR A 89 14.775 4.477 -0.104 1.00 0.00 O ATOM 0 H TYR A 89 12.791 7.148 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 89 10.377 8.784 -4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.824 8.840 -1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 89 9.961 7.460 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.267 8.599 -1.153 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.888 5.244 -2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.934 7.092 -0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.551 3.734 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 89 14.557 4.322 0.839 1.00 0.00 H new ATOM 1339 N THR A 90 11.851 10.722 -3.341 1.00 0.00 N ATOM 1340 CA THR A 90 12.726 11.884 -3.247 1.00 0.00 C ATOM 1341 C THR A 90 12.889 12.333 -1.800 1.00 0.00 C ATOM 1342 O THR A 90 11.932 12.327 -1.026 1.00 0.00 O ATOM 1343 CB THR A 90 12.186 13.061 -4.081 1.00 0.00 C ATOM 1344 OG1 THR A 90 10.858 13.391 -3.661 1.00 0.00 O ATOM 1345 CG2 THR A 90 12.185 12.720 -5.563 1.00 0.00 C ATOM 0 H THR A 90 10.885 10.897 -3.063 1.00 0.00 H new ATOM 0 HA THR A 90 13.696 11.583 -3.642 1.00 0.00 H new ATOM 0 HB THR A 90 12.840 13.919 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.523 14.141 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.799 13.567 -6.131 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.202 12.499 -5.886 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.553 11.849 -5.736 1.00 0.00 H new ATOM 1353 N VAL A 91 14.108 12.724 -1.440 1.00 0.00 N ATOM 1354 CA VAL A 91 14.396 13.179 -0.085 1.00 0.00 C ATOM 1355 C VAL A 91 14.497 14.699 -0.025 1.00 0.00 C ATOM 1356 O VAL A 91 15.218 15.329 -0.799 1.00 0.00 O ATOM 1357 CB VAL A 91 15.706 12.567 0.445 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.115 13.231 1.752 1.00 0.00 C ATOM 1359 CG2 VAL A 91 15.557 11.064 0.625 1.00 0.00 C ATOM 0 H VAL A 91 14.912 12.735 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 91 13.569 12.848 0.543 1.00 0.00 H new ATOM 0 HB VAL A 91 16.493 12.746 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.043 12.786 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.265 14.298 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.331 13.085 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.492 10.648 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.758 10.860 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.314 10.605 -0.333 1.00 0.00 H new ATOM 1369 N PRO A 92 13.757 15.304 0.916 1.00 0.00 N ATOM 1370 CA PRO A 92 13.746 16.758 1.100 1.00 0.00 C ATOM 1371 C PRO A 92 15.065 17.281 1.661 1.00 0.00 C ATOM 1372 O PRO A 92 15.451 16.946 2.780 1.00 0.00 O ATOM 1373 CB PRO A 92 12.613 16.980 2.104 1.00 0.00 C ATOM 1374 CG PRO A 92 12.513 15.696 2.853 1.00 0.00 C ATOM 1375 CD PRO A 92 12.874 14.615 1.872 1.00 0.00 C ATOM 0 HA PRO A 92 13.608 17.287 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 92 12.834 17.812 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.677 17.217 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.189 15.689 3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.506 15.549 3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.381 13.783 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.991 14.206 1.381 1.00 0.00 H new ATOM 1383 N GLY A 93 15.751 18.105 0.875 1.00 0.00 N ATOM 1384 CA GLY A 93 17.019 18.661 1.311 1.00 0.00 C ATOM 1385 C GLY A 93 18.166 18.277 0.397 1.00 0.00 C ATOM 1386 O GLY A 93 19.107 19.048 0.211 1.00 0.00 O ATOM 0 H GLY A 93 15.452 18.397 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.940 19.747 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.234 18.317 2.323 1.00 0.00 H new ATOM 1390 N THR A 94 18.089 17.079 -0.174 1.00 0.00 N ATOM 1391 CA THR A 94 19.130 16.592 -1.070 1.00 0.00 C ATOM 1392 C THR A 94 18.759 16.838 -2.528 1.00 0.00 C ATOM 1393 O THR A 94 17.625 17.202 -2.836 1.00 0.00 O ATOM 1394 CB THR A 94 19.389 15.087 -0.866 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.599 14.704 -1.529 1.00 0.00 O ATOM 1396 CG2 THR A 94 18.228 14.261 -1.400 1.00 0.00 C ATOM 0 H THR A 94 17.316 16.428 -0.032 1.00 0.00 H new ATOM 0 HA THR A 94 20.038 17.145 -0.830 1.00 0.00 H new ATOM 0 HB THR A 94 19.486 14.899 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.757 13.746 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 94 18.433 13.202 -1.245 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.314 14.534 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.104 14.454 -2.465 1.00 0.00 H new ATOM 1404 N GLU A 95 19.722 16.636 -3.422 1.00 0.00 N ATOM 1405 CA GLU A 95 19.495 16.837 -4.848 1.00 0.00 C ATOM 1406 C GLU A 95 19.565 15.513 -5.602 1.00 0.00 C ATOM 1407 O GLU A 95 20.604 14.853 -5.625 1.00 0.00 O ATOM 1408 CB GLU A 95 20.524 17.817 -5.418 1.00 0.00 C ATOM 1409 CG GLU A 95 20.287 19.259 -5.002 1.00 0.00 C ATOM 1410 CD GLU A 95 21.524 20.122 -5.158 1.00 0.00 C ATOM 1411 OE1 GLU A 95 22.599 19.707 -4.677 1.00 0.00 O ATOM 1412 OE2 GLU A 95 21.416 21.210 -5.760 1.00 0.00 O ATOM 0 H GLU A 95 20.666 16.333 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 95 18.496 17.255 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.520 17.514 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.509 17.754 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.478 19.678 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.960 19.284 -3.963 1.00 0.00 H new ATOM 1419 N GLY A 96 18.451 15.129 -6.218 1.00 0.00 N ATOM 1420 CA GLY A 96 18.407 13.885 -6.965 1.00 0.00 C ATOM 1421 C GLY A 96 17.353 12.931 -6.438 1.00 0.00 C ATOM 1422 O GLY A 96 16.629 13.253 -5.496 1.00 0.00 O ATOM 0 H GLY A 96 17.578 15.657 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.205 14.101 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.384 13.403 -6.921 1.00 0.00 H new ATOM 1426 N VAL A 97 17.265 11.754 -7.049 1.00 0.00 N ATOM 1427 CA VAL A 97 16.292 10.749 -6.636 1.00 0.00 C ATOM 1428 C VAL A 97 16.983 9.514 -6.071 1.00 0.00 C ATOM 1429 O VAL A 97 18.049 9.114 -6.541 1.00 0.00 O ATOM 1430 CB VAL A 97 15.390 10.326 -7.811 1.00 0.00 C ATOM 1431 CG1 VAL A 97 14.421 9.238 -7.375 1.00 0.00 C ATOM 1432 CG2 VAL A 97 14.640 11.528 -8.366 1.00 0.00 C ATOM 0 H VAL A 97 17.856 11.473 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 97 15.677 11.204 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 97 16.020 9.922 -8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.792 8.952 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.981 8.369 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.794 9.612 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.008 11.211 -9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.020 11.963 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.355 12.272 -8.718 1.00 0.00 H new ATOM 1442 N THR A 98 16.369 8.911 -5.057 1.00 0.00 N ATOM 1443 CA THR A 98 16.925 7.721 -4.426 1.00 0.00 C ATOM 1444 C THR A 98 16.071 6.493 -4.719 1.00 0.00 C ATOM 1445 O THR A 98 14.849 6.529 -4.579 1.00 0.00 O ATOM 1446 CB THR A 98 17.044 7.897 -2.900 1.00 0.00 C ATOM 1447 OG1 THR A 98 17.837 9.051 -2.601 1.00 0.00 O ATOM 1448 CG2 THR A 98 17.668 6.667 -2.260 1.00 0.00 C ATOM 0 H THR A 98 15.486 9.228 -4.656 1.00 0.00 H new ATOM 0 HA THR A 98 17.920 7.577 -4.846 1.00 0.00 H new ATOM 0 HB THR A 98 16.042 8.029 -2.492 1.00 0.00 H new ATOM 0 HG1 THR A 98 17.907 9.157 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 98 17.742 6.815 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.046 5.795 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 98 18.664 6.508 -2.673 1.00 0.00 H new ATOM 1456 N GLN A 99 16.722 5.408 -5.125 1.00 0.00 N ATOM 1457 CA GLN A 99 16.020 4.168 -5.437 1.00 0.00 C ATOM 1458 C GLN A 99 16.246 3.125 -4.348 1.00 0.00 C ATOM 1459 O GLN A 99 17.324 3.054 -3.756 1.00 0.00 O ATOM 1460 CB GLN A 99 16.485 3.621 -6.788 1.00 0.00 C ATOM 1461 CG GLN A 99 16.395 4.634 -7.918 1.00 0.00 C ATOM 1462 CD GLN A 99 17.227 4.239 -9.123 1.00 0.00 C ATOM 1463 OE1 GLN A 99 18.282 3.620 -8.987 1.00 0.00 O ATOM 1464 NE2 GLN A 99 16.754 4.597 -10.311 1.00 0.00 N ATOM 0 H GLN A 99 17.734 5.362 -5.246 1.00 0.00 H new ATOM 0 HA GLN A 99 14.953 4.387 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 99 17.517 3.281 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.883 2.749 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.354 4.744 -8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 99 16.726 5.607 -7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.875 5.110 -10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.270 4.359 -11.158 1.00 0.00 H new ATOM 1473 N LEU A 100 15.223 2.318 -4.088 1.00 0.00 N ATOM 1474 CA LEU A 100 15.310 1.278 -3.068 1.00 0.00 C ATOM 1475 C LEU A 100 15.085 -0.102 -3.678 1.00 0.00 C ATOM 1476 O LEU A 100 14.133 -0.313 -4.429 1.00 0.00 O ATOM 1477 CB LEU A 100 14.284 1.533 -1.963 1.00 0.00 C ATOM 1478 CG LEU A 100 14.529 0.808 -0.639 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.696 1.437 0.105 1.00 0.00 C ATOM 1480 CD2 LEU A 100 13.273 0.828 0.220 1.00 0.00 C ATOM 0 H LEU A 100 14.325 2.364 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 100 16.312 1.307 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.250 2.605 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.300 1.246 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 100 14.780 -0.230 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.856 0.908 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.596 1.370 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.474 2.484 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.466 0.308 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.991 1.860 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.461 0.331 -0.311 1.00 0.00 H new ATOM 1492 N LYS A 101 15.967 -1.039 -3.348 1.00 0.00 N ATOM 1493 CA LYS A 101 15.864 -2.401 -3.859 1.00 0.00 C ATOM 1494 C LYS A 101 15.612 -3.390 -2.726 1.00 0.00 C ATOM 1495 O LYS A 101 16.290 -3.358 -1.698 1.00 0.00 O ATOM 1496 CB LYS A 101 17.141 -2.784 -4.610 1.00 0.00 C ATOM 1497 CG LYS A 101 17.058 -4.131 -5.306 1.00 0.00 C ATOM 1498 CD LYS A 101 18.112 -4.264 -6.392 1.00 0.00 C ATOM 1499 CE LYS A 101 17.972 -5.577 -7.147 1.00 0.00 C ATOM 1500 NZ LYS A 101 18.523 -6.724 -6.372 1.00 0.00 N ATOM 0 H LYS A 101 16.762 -0.880 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 101 15.019 -2.441 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.361 -2.015 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.975 -2.798 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 101 17.186 -4.928 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.067 -4.255 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.024 -3.431 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.105 -4.203 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.920 -5.759 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.489 -5.503 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.409 -7.600 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.533 -6.563 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.012 -6.811 -5.470 1.00 0.00 H new ATOM 1514 N LEU A 102 14.635 -4.269 -2.920 1.00 0.00 N ATOM 1515 CA LEU A 102 14.294 -5.269 -1.914 1.00 0.00 C ATOM 1516 C LEU A 102 14.416 -6.678 -2.485 1.00 0.00 C ATOM 1517 O LEU A 102 14.132 -6.911 -3.661 1.00 0.00 O ATOM 1518 CB LEU A 102 12.874 -5.037 -1.396 1.00 0.00 C ATOM 1519 CG LEU A 102 12.596 -3.659 -0.795 1.00 0.00 C ATOM 1520 CD1 LEU A 102 11.111 -3.490 -0.513 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.408 -3.458 0.476 1.00 0.00 C ATOM 0 H LEU A 102 14.065 -4.310 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 102 14.996 -5.170 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.178 -5.200 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.657 -5.792 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 102 12.897 -2.901 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.932 -2.503 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.550 -3.590 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.785 -4.255 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.198 -2.472 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.139 -4.223 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.470 -3.535 0.245 1.00 0.00 H new ATOM 1533 N THR A 103 14.837 -7.618 -1.644 1.00 0.00 N ATOM 1534 CA THR A 103 14.995 -9.005 -2.064 1.00 0.00 C ATOM 1535 C THR A 103 14.615 -9.965 -0.943 1.00 0.00 C ATOM 1536 O THR A 103 15.027 -9.791 0.204 1.00 0.00 O ATOM 1537 CB THR A 103 16.441 -9.296 -2.507 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.830 -8.385 -3.541 1.00 0.00 O ATOM 1539 CG2 THR A 103 16.576 -10.727 -3.007 1.00 0.00 C ATOM 0 H THR A 103 15.075 -7.444 -0.668 1.00 0.00 H new ATOM 0 HA THR A 103 14.326 -9.158 -2.911 1.00 0.00 H new ATOM 0 HB THR A 103 17.095 -9.166 -1.645 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.751 -8.576 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.606 -10.909 -3.314 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.308 -11.418 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.911 -10.880 -3.857 1.00 0.00 H new ATOM 1547 N VAL A 104 13.827 -10.981 -1.282 1.00 0.00 N ATOM 1548 CA VAL A 104 13.393 -11.971 -0.304 1.00 0.00 C ATOM 1549 C VAL A 104 14.546 -12.880 0.107 1.00 0.00 C ATOM 1550 O VAL A 104 15.293 -13.375 -0.738 1.00 0.00 O ATOM 1551 CB VAL A 104 12.243 -12.836 -0.853 1.00 0.00 C ATOM 1552 CG1 VAL A 104 11.828 -13.884 0.168 1.00 0.00 C ATOM 1553 CG2 VAL A 104 11.061 -11.963 -1.245 1.00 0.00 C ATOM 0 H VAL A 104 13.476 -11.140 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 104 13.040 -11.420 0.568 1.00 0.00 H new ATOM 0 HB VAL A 104 12.595 -13.354 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.014 -14.485 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.678 -14.528 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.494 -13.391 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.257 -12.590 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.707 -11.416 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.370 -11.256 -2.014 1.00 0.00 H new ATOM 1563 N VAL A 105 14.686 -13.096 1.411 1.00 0.00 N ATOM 1564 CA VAL A 105 15.748 -13.947 1.936 1.00 0.00 C ATOM 1565 C VAL A 105 15.187 -15.263 2.462 1.00 0.00 C ATOM 1566 O VAL A 105 14.023 -15.341 2.851 1.00 0.00 O ATOM 1567 CB VAL A 105 16.525 -13.244 3.065 1.00 0.00 C ATOM 1568 CG1 VAL A 105 15.634 -13.044 4.282 1.00 0.00 C ATOM 1569 CG2 VAL A 105 17.770 -14.038 3.429 1.00 0.00 C ATOM 0 H VAL A 105 14.077 -12.693 2.124 1.00 0.00 H new ATOM 0 HA VAL A 105 16.429 -14.150 1.109 1.00 0.00 H new ATOM 0 HB VAL A 105 16.839 -12.263 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 105 16.200 -12.546 5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 105 14.776 -12.430 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 105 15.287 -14.013 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 105 18.307 -13.527 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 105 17.481 -15.034 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.416 -14.123 2.555 1.00 0.00 H new ATOM 1659 N ARG A 112 8.926 -16.377 3.084 1.00 0.00 N ATOM 1660 CA ARG A 112 8.541 -16.420 1.678 1.00 0.00 C ATOM 1661 C ARG A 112 7.056 -16.112 1.511 1.00 0.00 C ATOM 1662 O ARG A 112 6.675 -15.264 0.704 1.00 0.00 O ATOM 1663 CB ARG A 112 8.858 -17.792 1.082 1.00 0.00 C ATOM 1664 CG ARG A 112 8.825 -17.819 -0.438 1.00 0.00 C ATOM 1665 CD ARG A 112 10.031 -17.110 -1.033 1.00 0.00 C ATOM 1666 NE ARG A 112 11.263 -17.870 -0.839 1.00 0.00 N ATOM 1667 CZ ARG A 112 12.325 -17.763 -1.630 1.00 0.00 C ATOM 1668 NH1 ARG A 112 12.306 -16.931 -2.662 1.00 0.00 N ATOM 1669 NH2 ARG A 112 13.410 -18.488 -1.388 1.00 0.00 N ATOM 0 HA ARG A 112 9.114 -15.660 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.845 -18.107 1.421 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.142 -18.519 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 112 8.801 -18.852 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 112 7.910 -17.343 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 112 9.868 -16.950 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 112 10.136 -16.126 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 112 11.311 -18.518 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 112 11.475 -16.371 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 112 13.123 -16.851 -3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.429 -19.128 -0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 112 14.225 -18.405 -1.996 1.00 0.00 H new ATOM 1683 N ARG A 113 6.223 -16.806 2.279 1.00 0.00 N ATOM 1684 CA ARG A 113 4.780 -16.608 2.215 1.00 0.00 C ATOM 1685 C ARG A 113 4.417 -15.155 2.509 1.00 0.00 C ATOM 1686 O ARG A 113 3.758 -14.496 1.705 1.00 0.00 O ATOM 1687 CB ARG A 113 4.072 -17.532 3.208 1.00 0.00 C ATOM 1688 CG ARG A 113 3.931 -18.962 2.714 1.00 0.00 C ATOM 1689 CD ARG A 113 2.708 -19.127 1.826 1.00 0.00 C ATOM 1690 NE ARG A 113 2.855 -18.420 0.556 1.00 0.00 N ATOM 1691 CZ ARG A 113 3.496 -18.921 -0.494 1.00 0.00 C ATOM 1692 NH1 ARG A 113 4.047 -20.125 -0.425 1.00 0.00 N ATOM 1693 NH2 ARG A 113 3.588 -18.218 -1.615 1.00 0.00 N ATOM 0 H ARG A 113 6.523 -17.511 2.953 1.00 0.00 H new ATOM 0 HA ARG A 113 4.450 -16.850 1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.625 -17.534 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.081 -17.131 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.825 -19.246 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 113 3.856 -19.637 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.540 -20.187 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.827 -18.754 2.349 1.00 0.00 H new ATOM 0 HE ARG A 113 2.443 -17.491 0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.979 -20.668 0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.539 -20.508 -1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.166 -17.291 -1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.081 -18.604 -2.420 1.00 0.00 H new ATOM 1707 N GLN A 114 4.851 -14.664 3.665 1.00 0.00 N ATOM 1708 CA GLN A 114 4.571 -13.290 4.065 1.00 0.00 C ATOM 1709 C GLN A 114 5.139 -12.302 3.052 1.00 0.00 C ATOM 1710 O GLN A 114 4.402 -11.525 2.447 1.00 0.00 O ATOM 1711 CB GLN A 114 5.154 -13.010 5.451 1.00 0.00 C ATOM 1712 CG GLN A 114 4.416 -11.922 6.214 1.00 0.00 C ATOM 1713 CD GLN A 114 2.934 -12.210 6.352 1.00 0.00 C ATOM 1714 OE1 GLN A 114 2.135 -11.645 5.454 1.00 0.00 O flip ATOM 1715 NE2 GLN A 114 2.511 -12.931 7.255 1.00 0.00 N flip ATOM 0 H GLN A 114 5.398 -15.197 4.341 1.00 0.00 H new ATOM 0 HA GLN A 114 3.489 -13.163 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.135 -13.929 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.200 -12.722 5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.856 -11.817 7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.551 -10.969 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.161 -13.345 7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.511 -13.115 7.335 1.00 0.00 H new ATOM 1724 N ALA A 115 6.456 -12.337 2.873 1.00 0.00 N ATOM 1725 CA ALA A 115 7.123 -11.446 1.932 1.00 0.00 C ATOM 1726 C ALA A 115 6.392 -11.413 0.594 1.00 0.00 C ATOM 1727 O ALA A 115 5.831 -10.388 0.207 1.00 0.00 O ATOM 1728 CB ALA A 115 8.570 -11.874 1.735 1.00 0.00 C ATOM 0 H ALA A 115 7.082 -12.973 3.368 1.00 0.00 H new ATOM 0 HA ALA A 115 7.107 -10.439 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.056 -11.200 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.093 -11.838 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.599 -12.891 1.343 1.00 0.00 H new ATOM 1734 N VAL A 116 6.403 -12.541 -0.109 1.00 0.00 N ATOM 1735 CA VAL A 116 5.741 -12.642 -1.404 1.00 0.00 C ATOM 1736 C VAL A 116 4.361 -11.996 -1.367 1.00 0.00 C ATOM 1737 O VAL A 116 4.004 -11.218 -2.252 1.00 0.00 O ATOM 1738 CB VAL A 116 5.597 -14.109 -1.848 1.00 0.00 C ATOM 1739 CG1 VAL A 116 4.843 -14.197 -3.167 1.00 0.00 C ATOM 1740 CG2 VAL A 116 6.964 -14.768 -1.962 1.00 0.00 C ATOM 0 H VAL A 116 6.863 -13.398 0.197 1.00 0.00 H new ATOM 0 HA VAL A 116 6.368 -12.113 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 116 5.022 -14.644 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.751 -15.242 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.849 -13.765 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.388 -13.648 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.843 -15.805 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.566 -14.233 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.464 -14.739 -0.994 1.00 0.00 H new ATOM 1750 N ALA A 117 3.588 -12.322 -0.336 1.00 0.00 N ATOM 1751 CA ALA A 117 2.247 -11.772 -0.182 1.00 0.00 C ATOM 1752 C ALA A 117 2.293 -10.259 0.007 1.00 0.00 C ATOM 1753 O ALA A 117 1.420 -9.538 -0.475 1.00 0.00 O ATOM 1754 CB ALA A 117 1.538 -12.430 0.992 1.00 0.00 C ATOM 0 H ALA A 117 3.868 -12.965 0.405 1.00 0.00 H new ATOM 0 HA ALA A 117 1.688 -11.982 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.538 -12.009 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.464 -13.503 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.103 -12.249 1.906 1.00 0.00 H new ATOM 1760 N TRP A 118 3.316 -9.786 0.709 1.00 0.00 N ATOM 1761 CA TRP A 118 3.475 -8.359 0.962 1.00 0.00 C ATOM 1762 C TRP A 118 3.840 -7.617 -0.319 1.00 0.00 C ATOM 1763 O TRP A 118 3.269 -6.570 -0.626 1.00 0.00 O ATOM 1764 CB TRP A 118 4.548 -8.124 2.026 1.00 0.00 C ATOM 1765 CG TRP A 118 4.511 -6.746 2.614 1.00 0.00 C ATOM 1766 CD1 TRP A 118 3.846 -6.354 3.741 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.164 -5.579 2.104 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.047 -5.013 3.962 1.00 0.00 N ATOM 1769 CE2 TRP A 118 4.852 -4.514 2.972 1.00 0.00 C ATOM 1770 CE3 TRP A 118 5.983 -5.329 1.000 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.331 -3.223 2.768 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.457 -4.047 0.798 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.131 -3.007 1.679 1.00 0.00 C ATOM 0 H TRP A 118 4.048 -10.370 1.113 1.00 0.00 H new ATOM 0 HA TRP A 118 2.523 -7.972 1.326 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.424 -8.855 2.825 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.530 -8.297 1.586 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.250 -7.003 4.366 1.00 0.00 H new ATOM 0 HE1 TRP A 118 3.660 -4.476 4.738 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.241 -6.124 0.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.080 -2.420 3.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 7.089 -3.843 -0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.519 -2.016 1.495 1.00 0.00 H new ATOM 1784 N LEU A 119 4.795 -8.164 -1.063 1.00 0.00 N ATOM 1785 CA LEU A 119 5.236 -7.554 -2.312 1.00 0.00 C ATOM 1786 C LEU A 119 4.050 -7.267 -3.227 1.00 0.00 C ATOM 1787 O LEU A 119 3.905 -6.159 -3.745 1.00 0.00 O ATOM 1788 CB LEU A 119 6.235 -8.468 -3.024 1.00 0.00 C ATOM 1789 CG LEU A 119 7.518 -8.788 -2.256 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.214 -9.997 -2.861 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.449 -7.584 -2.247 1.00 0.00 C ATOM 0 H LEU A 119 5.279 -9.029 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 119 5.724 -6.609 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.733 -9.406 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.509 -8.005 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 119 7.253 -9.024 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.125 -10.210 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.550 -10.860 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.467 -9.789 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.357 -7.830 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.708 -7.316 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 119 7.950 -6.742 -1.767 1.00 0.00 H new ATOM 1803 N VAL A 120 3.202 -8.272 -3.421 1.00 0.00 N ATOM 1804 CA VAL A 120 2.026 -8.127 -4.270 1.00 0.00 C ATOM 1805 C VAL A 120 0.986 -7.222 -3.620 1.00 0.00 C ATOM 1806 O VAL A 120 0.419 -6.344 -4.269 1.00 0.00 O ATOM 1807 CB VAL A 120 1.382 -9.492 -4.576 1.00 0.00 C ATOM 1808 CG1 VAL A 120 0.855 -10.131 -3.301 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.272 -9.339 -5.605 1.00 0.00 C ATOM 0 H VAL A 120 3.308 -9.196 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 120 2.364 -7.676 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 120 2.145 -10.149 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.403 -11.095 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.677 -10.277 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.106 -9.480 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.172 -10.313 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.493 -8.666 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 120 0.684 -8.928 -6.526 1.00 0.00 H new ATOM 1819 N ALA A 121 0.741 -7.441 -2.332 1.00 0.00 N ATOM 1820 CA ALA A 121 -0.229 -6.644 -1.592 1.00 0.00 C ATOM 1821 C ALA A 121 0.074 -5.155 -1.718 1.00 0.00 C ATOM 1822 O ALA A 121 -0.816 -4.352 -1.996 1.00 0.00 O ATOM 1823 CB ALA A 121 -0.247 -7.059 -0.128 1.00 0.00 C ATOM 0 H ALA A 121 1.201 -8.164 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.214 -6.825 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.976 -6.455 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.519 -8.112 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.742 -6.908 0.305 1.00 0.00 H new ATOM 1829 N MET A 122 1.336 -4.793 -1.511 1.00 0.00 N ATOM 1830 CA MET A 122 1.756 -3.399 -1.602 1.00 0.00 C ATOM 1831 C MET A 122 1.443 -2.827 -2.981 1.00 0.00 C ATOM 1832 O MET A 122 0.794 -1.787 -3.099 1.00 0.00 O ATOM 1833 CB MET A 122 3.254 -3.276 -1.314 1.00 0.00 C ATOM 1834 CG MET A 122 3.695 -1.858 -0.988 1.00 0.00 C ATOM 1835 SD MET A 122 3.017 -1.261 0.573 1.00 0.00 S ATOM 1836 CE MET A 122 3.156 0.510 0.347 1.00 0.00 C ATOM 0 H MET A 122 2.085 -5.445 -1.279 1.00 0.00 H new ATOM 0 HA MET A 122 1.202 -2.828 -0.857 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.510 -3.929 -0.479 1.00 0.00 H new ATOM 0 HB3 MET A 122 3.813 -3.632 -2.180 1.00 0.00 H new ATOM 0 HG2 MET A 122 4.784 -1.821 -0.945 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.385 -1.191 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.441 0.976 1.290 1.00 0.00 H new ATOM 0 HE2 MET A 122 3.915 0.722 -0.406 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.197 0.911 0.019 1.00 0.00 H new ATOM 1846 N HIS A 123 1.909 -3.510 -4.021 1.00 0.00 N ATOM 1847 CA HIS A 123 1.678 -3.069 -5.392 1.00 0.00 C ATOM 1848 C HIS A 123 0.204 -2.750 -5.619 1.00 0.00 C ATOM 1849 O HIS A 123 -0.145 -1.649 -6.048 1.00 0.00 O ATOM 1850 CB HIS A 123 2.137 -4.142 -6.380 1.00 0.00 C ATOM 1851 CG HIS A 123 1.798 -3.829 -7.805 1.00 0.00 C ATOM 1852 ND1 HIS A 123 0.595 -4.172 -8.385 1.00 0.00 N ATOM 1853 CD2 HIS A 123 2.512 -3.199 -8.767 1.00 0.00 C ATOM 1854 CE1 HIS A 123 0.584 -3.768 -9.642 1.00 0.00 C ATOM 1855 NE2 HIS A 123 1.735 -3.174 -9.899 1.00 0.00 N ATOM 0 H HIS A 123 2.449 -4.372 -3.941 1.00 0.00 H new ATOM 0 HA HIS A 123 2.258 -2.161 -5.558 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.216 -4.268 -6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.681 -5.094 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.507 -2.792 -8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -0.228 -3.901 -10.341 1.00 0.00 H new ATOM 0 HE2 HIS A 123 2.003 -2.763 -10.793 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.658 -3.718 -5.329 1.00 0.00 N ATOM 1864 CA LYS A 124 -2.095 -3.542 -5.500 1.00 0.00 C ATOM 1865 C LYS A 124 -2.582 -2.299 -4.762 1.00 0.00 C ATOM 1866 O LYS A 124 -3.366 -1.516 -5.297 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.845 -4.775 -4.993 1.00 0.00 C ATOM 1868 CG LYS A 124 -3.073 -5.830 -6.062 1.00 0.00 C ATOM 1869 CD LYS A 124 -1.760 -6.406 -6.566 1.00 0.00 C ATOM 1870 CE LYS A 124 -1.930 -7.082 -7.918 1.00 0.00 C ATOM 1871 NZ LYS A 124 -0.641 -7.623 -8.433 1.00 0.00 N ATOM 0 H LYS A 124 -0.386 -4.635 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.296 -3.414 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -2.284 -5.218 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.809 -4.464 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -3.691 -6.631 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -3.623 -5.392 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -1.020 -5.610 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -1.376 -7.126 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -2.655 -7.891 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -2.336 -6.367 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -0.584 -7.466 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 0.151 -7.138 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -0.589 -8.643 -8.235 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.110 -2.124 -3.532 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.495 -0.974 -2.723 1.00 0.00 C ATOM 1887 C ALA A 125 -1.997 0.326 -3.344 1.00 0.00 C ATOM 1888 O ALA A 125 -2.790 1.170 -3.761 1.00 0.00 O ATOM 1889 CB ALA A 125 -1.961 -1.123 -1.306 1.00 0.00 C ATOM 0 H ALA A 125 -1.461 -2.764 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.584 -0.935 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.256 -0.257 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -2.370 -2.027 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -0.873 -1.191 -1.332 1.00 0.00 H new ATOM 1895 N ALA A 126 -0.678 0.481 -3.403 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.074 1.678 -3.975 1.00 0.00 C ATOM 1897 C ALA A 126 -0.894 2.199 -5.151 1.00 0.00 C ATOM 1898 O ALA A 126 -1.110 3.403 -5.286 1.00 0.00 O ATOM 1899 CB ALA A 126 1.355 1.392 -4.411 1.00 0.00 C ATOM 0 H ALA A 126 -0.008 -0.208 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.060 2.450 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.793 2.295 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.942 1.075 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.355 0.601 -5.161 1.00 0.00 H new ATOM 1905 N LYS A 127 -1.348 1.284 -6.000 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.145 1.649 -7.165 1.00 0.00 C ATOM 1907 C LYS A 127 -3.322 2.533 -6.764 1.00 0.00 C ATOM 1908 O LYS A 127 -3.485 3.639 -7.281 1.00 0.00 O ATOM 1909 CB LYS A 127 -2.656 0.393 -7.874 1.00 0.00 C ATOM 1910 CG LYS A 127 -1.666 -0.190 -8.867 1.00 0.00 C ATOM 1911 CD LYS A 127 -1.798 0.461 -10.234 1.00 0.00 C ATOM 1912 CE LYS A 127 -0.480 0.439 -10.992 1.00 0.00 C ATOM 1913 NZ LYS A 127 -0.285 -0.840 -11.730 1.00 0.00 N ATOM 0 H LYS A 127 -1.177 0.283 -5.903 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.507 2.210 -7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -2.896 -0.363 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -3.583 0.632 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.651 -0.052 -8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.829 -1.264 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -2.561 -0.059 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -2.134 1.491 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.451 1.272 -11.695 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.343 0.584 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 0.625 -0.815 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.287 -1.633 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.057 -0.966 -12.416 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.138 2.039 -5.839 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.300 2.785 -5.367 1.00 0.00 C ATOM 1929 C LEU A 128 -4.890 4.161 -4.852 1.00 0.00 C ATOM 1930 O LEU A 128 -5.485 5.176 -5.218 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.016 2.007 -4.263 1.00 0.00 C ATOM 1932 CG LEU A 128 -7.089 1.020 -4.725 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.519 0.122 -3.576 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.286 1.764 -5.298 1.00 0.00 C ATOM 0 H LEU A 128 -4.017 1.126 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.981 2.920 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.269 1.458 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.478 2.723 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.665 0.394 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.283 -0.573 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.658 -0.438 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.925 0.732 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.040 1.046 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -8.710 2.415 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.967 2.365 -6.150 1.00 0.00 H new ATOM 1946 N LEU A 129 -3.870 4.189 -4.002 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.378 5.441 -3.437 1.00 0.00 C ATOM 1948 C LEU A 129 -3.313 6.531 -4.503 1.00 0.00 C ATOM 1949 O LEU A 129 -3.959 7.572 -4.381 1.00 0.00 O ATOM 1950 CB LEU A 129 -1.996 5.236 -2.816 1.00 0.00 C ATOM 1951 CG LEU A 129 -1.975 4.829 -1.342 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.553 4.539 -0.888 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -2.601 5.916 -0.481 1.00 0.00 C ATOM 0 H LEU A 129 -3.367 3.359 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.074 5.758 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.472 4.472 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.430 6.161 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.563 3.918 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.558 4.251 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.139 3.726 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.059 5.432 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.578 5.610 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.040 6.843 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.634 6.075 -0.790 1.00 0.00 H new ATOM 1965 N TYR A 130 -2.531 6.283 -5.547 1.00 0.00 N ATOM 1966 CA TYR A 130 -2.381 7.243 -6.634 1.00 0.00 C ATOM 1967 C TYR A 130 -3.577 7.187 -7.579 1.00 0.00 C ATOM 1968 O TYR A 130 -4.312 8.163 -7.726 1.00 0.00 O ATOM 1969 CB TYR A 130 -1.091 6.969 -7.410 1.00 0.00 C ATOM 1970 CG TYR A 130 0.050 6.493 -6.539 1.00 0.00 C ATOM 1971 CD1 TYR A 130 0.273 7.050 -5.286 1.00 0.00 C ATOM 1972 CD2 TYR A 130 0.904 5.484 -6.970 1.00 0.00 C ATOM 1973 CE1 TYR A 130 1.315 6.618 -4.488 1.00 0.00 C ATOM 1974 CE2 TYR A 130 1.947 5.045 -6.178 1.00 0.00 C ATOM 1975 CZ TYR A 130 2.148 5.615 -4.938 1.00 0.00 C ATOM 1976 OH TYR A 130 3.186 5.181 -4.145 1.00 0.00 O ATOM 0 H TYR A 130 -1.991 5.426 -5.664 1.00 0.00 H new ATOM 0 HA TYR A 130 -2.331 8.241 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -1.290 6.219 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.787 7.879 -7.927 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -0.379 7.834 -4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 130 0.749 5.036 -7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.476 7.063 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.601 4.260 -6.528 1.00 0.00 H new ATOM 0 HH TYR A 130 3.500 5.920 -3.583 1.00 0.00 H new