USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=29 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 62 HIS :FLIP no HD1:sc= -0.284 F(o=-1.3,f=-0.28) USER MOD Set 1.2: 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= -2.86! C(o=-2.9!,f=-6.2!) USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= -0.119 (180deg=-1.15) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.038) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000812) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -151:sc= -3.4! (180deg=-5.18!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -115:sc= 0.811 USER MOD Single : A 42 SER OG : rot 75:sc= 0.84 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc=-0.00674 K(o=-0.0067,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 30:sc= 0.25 USER MOD Single : A 55 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.4) 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) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 140:sc= -1.66 (180deg=-4.27!) USER MOD Single : A 88 GLN : amide:sc= -0.0557 K(o=-0.056,f=-1.6!) USER MOD Single : A 89 TYR OH : rot 30:sc= -0.0135 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.6) 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 114 GLN : amide:sc= -0.0388 K(o=-0.039,f=-1.5) USER MOD Single : A 122 MET CE :methyl -161:sc= -2.27! (180deg=-3.1!) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.245 F(o=-0.75,f=-0.24) USER MOD Single : A 124 LYS NZ :NH3+ -145:sc=-0.00992 (180deg=-1.52!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -8.048 -9.372 3.223 1.00 0.00 N ATOM 145 CA LYS A 13 -7.149 -10.520 3.204 1.00 0.00 C ATOM 146 C LYS A 13 -5.697 -10.072 3.063 1.00 0.00 C ATOM 147 O LYS A 13 -4.800 -10.639 3.686 1.00 0.00 O ATOM 148 CB LYS A 13 -7.516 -11.462 2.056 1.00 0.00 C ATOM 149 CG LYS A 13 -8.544 -12.514 2.438 1.00 0.00 C ATOM 150 CD LYS A 13 -8.795 -13.488 1.299 1.00 0.00 C ATOM 151 CE LYS A 13 -9.660 -12.865 0.213 1.00 0.00 C ATOM 152 NZ LYS A 13 -11.112 -13.021 0.504 1.00 0.00 N ATOM 0 HA LYS A 13 -7.257 -11.050 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.902 -10.874 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.613 -11.960 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.198 -13.060 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.479 -12.027 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.843 -13.803 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.283 -14.383 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.420 -11.806 0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.430 -13.329 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.668 -12.584 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.347 -14.032 0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.337 -12.556 1.407 1.00 0.00 H new ATOM 166 N GLN A 14 -5.475 -9.050 2.242 1.00 0.00 N ATOM 167 CA GLN A 14 -4.133 -8.526 2.021 1.00 0.00 C ATOM 168 C GLN A 14 -3.755 -7.521 3.104 1.00 0.00 C ATOM 169 O GLN A 14 -2.679 -7.606 3.697 1.00 0.00 O ATOM 170 CB GLN A 14 -4.040 -7.868 0.643 1.00 0.00 C ATOM 171 CG GLN A 14 -4.249 -8.837 -0.509 1.00 0.00 C ATOM 172 CD GLN A 14 -5.670 -9.362 -0.580 1.00 0.00 C ATOM 173 OE1 GLN A 14 -5.972 -10.440 -0.067 1.00 0.00 O ATOM 174 NE2 GLN A 14 -6.551 -8.600 -1.217 1.00 0.00 N ATOM 0 H GLN A 14 -6.207 -8.569 1.719 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.433 -9.360 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.783 -7.074 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.062 -7.398 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.002 -8.339 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.561 -9.676 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.256 -7.714 -1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.522 -8.901 -1.296 1.00 0.00 H new ATOM 183 N LEU A 15 -4.647 -6.570 3.359 1.00 0.00 N ATOM 184 CA LEU A 15 -4.408 -5.548 4.371 1.00 0.00 C ATOM 185 C LEU A 15 -3.611 -6.116 5.541 1.00 0.00 C ATOM 186 O LEU A 15 -2.499 -5.669 5.824 1.00 0.00 O ATOM 187 CB LEU A 15 -5.736 -4.978 4.873 1.00 0.00 C ATOM 188 CG LEU A 15 -6.653 -4.375 3.808 1.00 0.00 C ATOM 189 CD1 LEU A 15 -7.951 -3.890 4.434 1.00 0.00 C ATOM 190 CD2 LEU A 15 -5.951 -3.236 3.083 1.00 0.00 C ATOM 0 H LEU A 15 -5.543 -6.486 2.878 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.826 -4.748 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.279 -5.773 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.521 -4.210 5.616 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.892 -5.151 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.591 -3.464 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.462 -4.728 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.732 -3.129 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.618 -2.819 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.682 -2.460 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.049 -3.613 2.601 1.00 0.00 H new ATOM 202 N LYS A 16 -4.186 -7.105 6.217 1.00 0.00 N ATOM 203 CA LYS A 16 -3.529 -7.738 7.354 1.00 0.00 C ATOM 204 C LYS A 16 -2.099 -8.138 7.003 1.00 0.00 C ATOM 205 O LYS A 16 -1.163 -7.855 7.752 1.00 0.00 O ATOM 206 CB LYS A 16 -4.318 -8.969 7.805 1.00 0.00 C ATOM 207 CG LYS A 16 -4.509 -10.004 6.709 1.00 0.00 C ATOM 208 CD LYS A 16 -5.804 -10.777 6.893 1.00 0.00 C ATOM 209 CE LYS A 16 -5.611 -11.980 7.804 1.00 0.00 C ATOM 210 NZ LYS A 16 -5.375 -11.573 9.217 1.00 0.00 N ATOM 0 H LYS A 16 -5.106 -7.486 5.997 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.496 -7.016 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.802 -9.433 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.296 -8.651 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.514 -9.510 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.667 -10.697 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.565 -10.119 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.171 -11.110 5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.492 -12.620 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.767 -12.572 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.694 -12.330 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.360 -11.402 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.906 -10.702 9.421 1.00 0.00 H new ATOM 224 N VAL A 17 -1.937 -8.796 5.860 1.00 0.00 N ATOM 225 CA VAL A 17 -0.621 -9.233 5.409 1.00 0.00 C ATOM 226 C VAL A 17 0.372 -8.076 5.411 1.00 0.00 C ATOM 227 O VAL A 17 1.511 -8.221 5.856 1.00 0.00 O ATOM 228 CB VAL A 17 -0.685 -9.838 3.994 1.00 0.00 C ATOM 229 CG1 VAL A 17 0.705 -10.233 3.519 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.626 -11.033 3.968 1.00 0.00 C ATOM 0 H VAL A 17 -2.701 -9.038 5.229 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.284 -9.998 6.108 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.075 -9.083 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.640 -10.659 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.346 -9.352 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.126 -10.972 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.659 -11.448 2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.268 -11.793 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.626 -10.715 4.263 1.00 0.00 H new ATOM 240 N LEU A 18 -0.067 -6.926 4.910 1.00 0.00 N ATOM 241 CA LEU A 18 0.783 -5.742 4.854 1.00 0.00 C ATOM 242 C LEU A 18 1.148 -5.267 6.257 1.00 0.00 C ATOM 243 O LEU A 18 2.317 -5.277 6.643 1.00 0.00 O ATOM 244 CB LEU A 18 0.078 -4.620 4.090 1.00 0.00 C ATOM 245 CG LEU A 18 0.226 -4.648 2.568 1.00 0.00 C ATOM 246 CD1 LEU A 18 -0.681 -3.611 1.925 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.675 -4.414 2.169 1.00 0.00 C ATOM 0 H LEU A 18 -1.006 -6.789 4.537 1.00 0.00 H new ATOM 0 HA LEU A 18 1.701 -6.008 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.984 -4.654 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.457 -3.665 4.454 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.073 -5.633 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.562 -3.645 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.718 -3.825 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.414 -2.619 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.762 -4.437 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.002 -3.442 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.302 -5.195 2.600 1.00 0.00 H new ATOM 259 N LEU A 19 0.140 -4.852 7.016 1.00 0.00 N ATOM 260 CA LEU A 19 0.353 -4.374 8.378 1.00 0.00 C ATOM 261 C LEU A 19 1.268 -5.321 9.149 1.00 0.00 C ATOM 262 O LEU A 19 2.189 -4.884 9.839 1.00 0.00 O ATOM 263 CB LEU A 19 -0.985 -4.234 9.106 1.00 0.00 C ATOM 264 CG LEU A 19 -2.003 -3.292 8.462 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.399 -3.567 9.000 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.614 -1.841 8.701 1.00 0.00 C ATOM 0 H LEU A 19 -0.833 -4.837 6.711 1.00 0.00 H new ATOM 0 HA LEU A 19 0.833 -3.397 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.436 -5.223 9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.789 -3.887 10.121 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.007 -3.473 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.110 -2.887 8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.679 -4.596 8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.410 -3.415 10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.350 -1.186 8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.580 -1.645 9.773 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.633 -1.651 8.266 1.00 0.00 H new ATOM 278 N SER A 20 1.008 -6.618 9.026 1.00 0.00 N ATOM 279 CA SER A 20 1.807 -7.627 9.713 1.00 0.00 C ATOM 280 C SER A 20 3.294 -7.302 9.614 1.00 0.00 C ATOM 281 O SER A 20 4.024 -7.377 10.601 1.00 0.00 O ATOM 282 CB SER A 20 1.535 -9.012 9.122 1.00 0.00 C ATOM 283 OG SER A 20 1.938 -10.035 10.016 1.00 0.00 O ATOM 0 H SER A 20 0.250 -6.996 8.457 1.00 0.00 H new ATOM 0 HA SER A 20 1.522 -7.627 10.765 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.472 -9.115 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.068 -9.119 8.177 1.00 0.00 H new ATOM 0 HG SER A 20 1.752 -10.910 9.616 1.00 0.00 H new ATOM 289 N GLY A 21 3.736 -6.939 8.413 1.00 0.00 N ATOM 290 CA GLY A 21 5.133 -6.608 8.206 1.00 0.00 C ATOM 291 C GLY A 21 5.966 -7.816 7.826 1.00 0.00 C ATOM 292 O GLY A 21 5.891 -8.858 8.477 1.00 0.00 O ATOM 0 H GLY A 21 3.151 -6.869 7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.212 -5.855 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.537 -6.164 9.116 1.00 0.00 H new ATOM 296 N ALA A 22 6.760 -7.678 6.770 1.00 0.00 N ATOM 297 CA ALA A 22 7.610 -8.768 6.305 1.00 0.00 C ATOM 298 C ALA A 22 9.081 -8.368 6.338 1.00 0.00 C ATOM 299 O ALA A 22 9.413 -7.186 6.438 1.00 0.00 O ATOM 300 CB ALA A 22 7.206 -9.189 4.900 1.00 0.00 C ATOM 0 H ALA A 22 6.833 -6.822 6.220 1.00 0.00 H new ATOM 0 HA ALA A 22 7.476 -9.615 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.849 -10.003 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.169 -9.524 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.311 -8.342 4.222 1.00 0.00 H new ATOM 306 N THR A 23 9.961 -9.361 6.252 1.00 0.00 N ATOM 307 CA THR A 23 11.397 -9.113 6.274 1.00 0.00 C ATOM 308 C THR A 23 11.961 -9.024 4.860 1.00 0.00 C ATOM 309 O THR A 23 11.482 -9.697 3.947 1.00 0.00 O ATOM 310 CB THR A 23 12.146 -10.217 7.044 1.00 0.00 C ATOM 311 OG1 THR A 23 11.588 -10.364 8.355 1.00 0.00 O ATOM 312 CG2 THR A 23 13.628 -9.891 7.153 1.00 0.00 C ATOM 0 H THR A 23 9.704 -10.344 6.166 1.00 0.00 H new ATOM 0 HA THR A 23 11.546 -8.160 6.783 1.00 0.00 H new ATOM 0 HB THR A 23 12.035 -11.152 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.068 -11.069 8.838 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.136 -10.685 7.701 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.057 -9.808 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.755 -8.947 7.682 1.00 0.00 H new ATOM 320 N PHE A 24 12.981 -8.191 4.686 1.00 0.00 N ATOM 321 CA PHE A 24 13.610 -8.014 3.383 1.00 0.00 C ATOM 322 C PHE A 24 15.010 -7.425 3.530 1.00 0.00 C ATOM 323 O PHE A 24 15.417 -7.026 4.622 1.00 0.00 O ATOM 324 CB PHE A 24 12.753 -7.106 2.498 1.00 0.00 C ATOM 325 CG PHE A 24 11.304 -7.498 2.463 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.855 -8.465 1.578 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.390 -6.899 3.316 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.522 -8.826 1.544 1.00 0.00 C ATOM 329 CE2 PHE A 24 9.055 -7.257 3.286 1.00 0.00 C ATOM 330 CZ PHE A 24 8.621 -8.223 2.399 1.00 0.00 C ATOM 0 H PHE A 24 13.390 -7.628 5.431 1.00 0.00 H new ATOM 0 HA PHE A 24 13.695 -8.994 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.835 -6.080 2.857 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.150 -7.122 1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.555 -8.942 0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.725 -6.144 4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.185 -9.580 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.353 -6.782 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.579 -8.506 2.374 1.00 0.00 H new ATOM 340 N LEU A 25 15.743 -7.374 2.423 1.00 0.00 N ATOM 341 CA LEU A 25 17.099 -6.835 2.428 1.00 0.00 C ATOM 342 C LEU A 25 17.155 -5.497 1.696 1.00 0.00 C ATOM 343 O LEU A 25 16.778 -5.400 0.528 1.00 0.00 O ATOM 344 CB LEU A 25 18.065 -7.826 1.777 1.00 0.00 C ATOM 345 CG LEU A 25 18.656 -8.892 2.701 1.00 0.00 C ATOM 346 CD1 LEU A 25 19.367 -9.965 1.891 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.608 -8.259 3.705 1.00 0.00 C ATOM 0 H LEU A 25 15.422 -7.699 1.511 1.00 0.00 H new ATOM 0 HA LEU A 25 17.397 -6.675 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.544 -8.328 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.886 -7.264 1.332 1.00 0.00 H new ATOM 0 HG LEU A 25 17.841 -9.362 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.781 -10.715 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.657 -10.439 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.173 -9.511 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.019 -9.032 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.420 -7.762 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.068 -7.528 4.308 1.00 0.00 H new ATOM 359 N VAL A 26 17.630 -4.468 2.390 1.00 0.00 N ATOM 360 CA VAL A 26 17.740 -3.137 1.806 1.00 0.00 C ATOM 361 C VAL A 26 19.196 -2.767 1.550 1.00 0.00 C ATOM 362 O VAL A 26 20.038 -2.855 2.444 1.00 0.00 O ATOM 363 CB VAL A 26 17.103 -2.070 2.717 1.00 0.00 C ATOM 364 CG1 VAL A 26 17.233 -0.689 2.093 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.645 -2.406 2.991 1.00 0.00 C ATOM 0 H VAL A 26 17.945 -4.531 3.358 1.00 0.00 H new ATOM 0 HA VAL A 26 17.203 -3.162 0.858 1.00 0.00 H new ATOM 0 HB VAL A 26 17.635 -2.064 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.778 0.052 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.287 -0.451 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.727 -0.677 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.211 -1.642 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.097 -2.441 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.582 -3.376 3.484 1.00 0.00 H new ATOM 375 N THR A 27 19.488 -2.351 0.321 1.00 0.00 N ATOM 376 CA THR A 27 20.843 -1.968 -0.054 1.00 0.00 C ATOM 377 C THR A 27 20.943 -0.467 -0.297 1.00 0.00 C ATOM 378 O THR A 27 20.421 0.048 -1.286 1.00 0.00 O ATOM 379 CB THR A 27 21.307 -2.713 -1.320 1.00 0.00 C ATOM 380 OG1 THR A 27 20.887 -4.081 -1.266 1.00 0.00 O ATOM 381 CG2 THR A 27 22.821 -2.648 -1.462 1.00 0.00 C ATOM 0 H THR A 27 18.804 -2.271 -0.431 1.00 0.00 H new ATOM 0 HA THR A 27 21.491 -2.242 0.779 1.00 0.00 H new ATOM 0 HB THR A 27 20.855 -2.228 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.185 -4.547 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 27 23.125 -3.181 -2.363 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.135 -1.607 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.288 -3.110 -0.592 1.00 0.00 H new ATOM 389 N PHE A 28 21.617 0.231 0.611 1.00 0.00 N ATOM 390 CA PHE A 28 21.784 1.675 0.496 1.00 0.00 C ATOM 391 C PHE A 28 23.014 2.015 -0.341 1.00 0.00 C ATOM 392 O PHE A 28 24.055 1.370 -0.225 1.00 0.00 O ATOM 393 CB PHE A 28 21.907 2.308 1.883 1.00 0.00 C ATOM 394 CG PHE A 28 20.679 2.138 2.731 1.00 0.00 C ATOM 395 CD1 PHE A 28 19.459 2.647 2.315 1.00 0.00 C ATOM 396 CD2 PHE A 28 20.744 1.469 3.942 1.00 0.00 C ATOM 397 CE1 PHE A 28 18.327 2.493 3.094 1.00 0.00 C ATOM 398 CE2 PHE A 28 19.616 1.312 4.725 1.00 0.00 C ATOM 399 CZ PHE A 28 18.406 1.823 4.299 1.00 0.00 C ATOM 0 H PHE A 28 22.056 -0.180 1.435 1.00 0.00 H new ATOM 0 HA PHE A 28 20.903 2.079 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 28 22.760 1.868 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 28 22.117 3.372 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 28 19.392 3.170 1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 28 21.687 1.065 4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 28 17.382 2.896 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 28 19.681 0.790 5.669 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.522 1.699 4.907 1.00 0.00 H new ATOM 409 N GLY A 29 22.885 3.032 -1.187 1.00 0.00 N ATOM 410 CA GLY A 29 23.992 3.440 -2.032 1.00 0.00 C ATOM 411 C GLY A 29 25.335 3.263 -1.353 1.00 0.00 C ATOM 412 O GLY A 29 26.307 2.848 -1.984 1.00 0.00 O ATOM 0 H GLY A 29 22.033 3.581 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.975 2.859 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.865 4.486 -2.312 1.00 0.00 H new ATOM 416 N ASN A 30 25.391 3.579 -0.064 1.00 0.00 N ATOM 417 CA ASN A 30 26.627 3.454 0.701 1.00 0.00 C ATOM 418 C ASN A 30 26.873 2.004 1.105 1.00 0.00 C ATOM 419 O ASN A 30 27.891 1.412 0.746 1.00 0.00 O ATOM 420 CB ASN A 30 26.571 4.340 1.947 1.00 0.00 C ATOM 421 CG ASN A 30 25.988 5.709 1.658 1.00 0.00 C ATOM 422 OD1 ASN A 30 26.500 6.450 0.818 1.00 0.00 O ATOM 423 ND2 ASN A 30 24.911 6.053 2.354 1.00 0.00 N ATOM 0 H ASN A 30 24.595 3.924 0.473 1.00 0.00 H new ATOM 0 HA ASN A 30 27.452 3.780 0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.972 3.847 2.713 1.00 0.00 H new ATOM 0 HB3 ASN A 30 27.576 4.455 2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.475 6.962 2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.520 5.408 3.040 1.00 0.00 H new ATOM 430 N SER A 31 25.932 1.436 1.854 1.00 0.00 N ATOM 431 CA SER A 31 26.048 0.056 2.309 1.00 0.00 C ATOM 432 C SER A 31 26.148 -0.901 1.125 1.00 0.00 C ATOM 433 O SER A 31 25.138 -1.288 0.539 1.00 0.00 O ATOM 434 CB SER A 31 24.847 -0.318 3.181 1.00 0.00 C ATOM 435 OG SER A 31 24.642 0.640 4.204 1.00 0.00 O ATOM 0 H SER A 31 25.082 1.910 2.158 1.00 0.00 H new ATOM 0 HA SER A 31 26.959 -0.030 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 31 23.953 -0.391 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.008 -1.300 3.625 1.00 0.00 H new ATOM 0 HG SER A 31 23.868 0.379 4.746 1.00 0.00 H new ATOM 441 N GLU A 32 27.375 -1.278 0.779 1.00 0.00 N ATOM 442 CA GLU A 32 27.608 -2.188 -0.336 1.00 0.00 C ATOM 443 C GLU A 32 26.989 -3.555 -0.060 1.00 0.00 C ATOM 444 O GLU A 32 26.738 -4.333 -0.981 1.00 0.00 O ATOM 445 CB GLU A 32 29.109 -2.339 -0.596 1.00 0.00 C ATOM 446 CG GLU A 32 29.867 -2.963 0.563 1.00 0.00 C ATOM 447 CD GLU A 32 31.194 -3.562 0.137 1.00 0.00 C ATOM 448 OE1 GLU A 32 32.144 -2.787 -0.102 1.00 0.00 O ATOM 449 OE2 GLU A 32 31.282 -4.804 0.043 1.00 0.00 O ATOM 0 H GLU A 32 28.222 -0.967 1.255 1.00 0.00 H new ATOM 0 HA GLU A 32 27.134 -1.765 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 32 29.255 -2.951 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 32 29.533 -1.358 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 32 30.043 -2.206 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 32 29.252 -3.739 1.019 1.00 0.00 H new ATOM 456 N LYS A 33 26.745 -3.842 1.214 1.00 0.00 N ATOM 457 CA LYS A 33 26.154 -5.114 1.613 1.00 0.00 C ATOM 458 C LYS A 33 24.724 -4.919 2.105 1.00 0.00 C ATOM 459 O LYS A 33 24.428 -4.014 2.886 1.00 0.00 O ATOM 460 CB LYS A 33 26.997 -5.769 2.710 1.00 0.00 C ATOM 461 CG LYS A 33 26.223 -6.759 3.563 1.00 0.00 C ATOM 462 CD LYS A 33 27.154 -7.635 4.384 1.00 0.00 C ATOM 463 CE LYS A 33 27.804 -8.712 3.529 1.00 0.00 C ATOM 464 NZ LYS A 33 26.878 -9.850 3.273 1.00 0.00 N ATOM 0 H LYS A 33 26.948 -3.210 1.989 1.00 0.00 H new ATOM 0 HA LYS A 33 26.133 -5.766 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.842 -6.282 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.408 -4.991 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.550 -6.219 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.603 -7.386 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.926 -7.017 4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.595 -8.101 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 33 28.120 -8.280 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 33 28.701 -9.079 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 27.363 -10.571 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.582 -10.268 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.041 -9.508 2.760 1.00 0.00 H new ATOM 478 N PRO A 34 23.813 -5.787 1.640 1.00 0.00 N ATOM 479 CA PRO A 34 22.399 -5.732 2.022 1.00 0.00 C ATOM 480 C PRO A 34 22.176 -6.126 3.478 1.00 0.00 C ATOM 481 O PRO A 34 22.721 -7.122 3.951 1.00 0.00 O ATOM 482 CB PRO A 34 21.739 -6.747 1.085 1.00 0.00 C ATOM 483 CG PRO A 34 22.828 -7.701 0.732 1.00 0.00 C ATOM 484 CD PRO A 34 24.095 -6.891 0.707 1.00 0.00 C ATOM 0 HA PRO A 34 21.992 -4.725 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.909 -7.257 1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.335 -6.261 0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.894 -8.506 1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 34 22.642 -8.165 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.954 -7.479 1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.317 -6.524 -0.295 1.00 0.00 H new ATOM 492 N GLU A 35 21.369 -5.339 4.182 1.00 0.00 N ATOM 493 CA GLU A 35 21.075 -5.607 5.585 1.00 0.00 C ATOM 494 C GLU A 35 19.638 -6.093 5.756 1.00 0.00 C ATOM 495 O GLU A 35 18.756 -5.750 4.968 1.00 0.00 O ATOM 496 CB GLU A 35 21.303 -4.349 6.427 1.00 0.00 C ATOM 497 CG GLU A 35 21.684 -4.643 7.868 1.00 0.00 C ATOM 498 CD GLU A 35 20.475 -4.807 8.769 1.00 0.00 C ATOM 499 OE1 GLU A 35 19.578 -3.939 8.721 1.00 0.00 O ATOM 500 OE2 GLU A 35 20.426 -5.802 9.521 1.00 0.00 O ATOM 0 H GLU A 35 20.907 -4.511 3.804 1.00 0.00 H new ATOM 0 HA GLU A 35 21.750 -6.392 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.090 -3.751 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.396 -3.745 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 35 22.285 -5.552 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 35 22.308 -3.834 8.247 1.00 0.00 H new ATOM 507 N THR A 36 19.410 -6.895 6.791 1.00 0.00 N ATOM 508 CA THR A 36 18.083 -7.430 7.066 1.00 0.00 C ATOM 509 C THR A 36 17.208 -6.397 7.766 1.00 0.00 C ATOM 510 O THR A 36 17.398 -6.105 8.946 1.00 0.00 O ATOM 511 CB THR A 36 18.158 -8.698 7.938 1.00 0.00 C ATOM 512 OG1 THR A 36 19.145 -9.594 7.416 1.00 0.00 O ATOM 513 CG2 THR A 36 16.808 -9.398 7.991 1.00 0.00 C ATOM 0 H THR A 36 20.128 -7.188 7.453 1.00 0.00 H new ATOM 0 HA THR A 36 17.640 -7.685 6.104 1.00 0.00 H new ATOM 0 HB THR A 36 18.436 -8.401 8.949 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.188 -10.397 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 36 16.885 -10.290 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.065 -8.723 8.416 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.506 -9.682 6.983 1.00 0.00 H new ATOM 521 N MET A 37 16.246 -5.847 7.031 1.00 0.00 N ATOM 522 CA MET A 37 15.340 -4.847 7.583 1.00 0.00 C ATOM 523 C MET A 37 13.888 -5.295 7.446 1.00 0.00 C ATOM 524 O MET A 37 13.557 -6.110 6.584 1.00 0.00 O ATOM 525 CB MET A 37 15.539 -3.503 6.879 1.00 0.00 C ATOM 526 CG MET A 37 16.947 -2.947 7.019 1.00 0.00 C ATOM 527 SD MET A 37 17.012 -1.159 6.799 1.00 0.00 S ATOM 528 CE MET A 37 16.220 -0.603 8.305 1.00 0.00 C ATOM 0 H MET A 37 16.074 -6.077 6.052 1.00 0.00 H new ATOM 0 HA MET A 37 15.568 -4.731 8.643 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.306 -3.619 5.820 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.830 -2.781 7.284 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.338 -3.203 8.004 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.596 -3.423 6.285 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.726 0.352 8.125 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.481 -1.340 8.621 1.00 0.00 H new ATOM 0 HE3 MET A 37 16.970 -0.482 9.087 1.00 0.00 H new ATOM 538 N THR A 38 13.025 -4.758 8.303 1.00 0.00 N ATOM 539 CA THR A 38 11.609 -5.104 8.279 1.00 0.00 C ATOM 540 C THR A 38 10.784 -3.998 7.632 1.00 0.00 C ATOM 541 O THR A 38 10.826 -2.845 8.064 1.00 0.00 O ATOM 542 CB THR A 38 11.071 -5.367 9.698 1.00 0.00 C ATOM 543 OG1 THR A 38 11.907 -6.314 10.372 1.00 0.00 O ATOM 544 CG2 THR A 38 9.643 -5.889 9.647 1.00 0.00 C ATOM 0 H THR A 38 13.282 -4.082 9.022 1.00 0.00 H new ATOM 0 HA THR A 38 11.516 -6.016 7.689 1.00 0.00 H new ATOM 0 HB THR A 38 11.077 -4.424 10.245 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.559 -6.474 11.274 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.284 -6.067 10.661 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.004 -5.153 9.160 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.616 -6.822 9.083 1.00 0.00 H new ATOM 552 N CYS A 39 10.034 -4.355 6.595 1.00 0.00 N ATOM 553 CA CYS A 39 9.198 -3.392 5.888 1.00 0.00 C ATOM 554 C CYS A 39 7.730 -3.566 6.263 1.00 0.00 C ATOM 555 O CYS A 39 7.163 -4.647 6.102 1.00 0.00 O ATOM 556 CB CYS A 39 9.373 -3.546 4.376 1.00 0.00 C ATOM 557 SG CYS A 39 8.913 -2.078 3.426 1.00 0.00 S ATOM 0 H CYS A 39 9.988 -5.305 6.225 1.00 0.00 H new ATOM 0 HA CYS A 39 9.512 -2.391 6.183 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.414 -3.791 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.772 -4.389 4.036 1.00 0.00 H new ATOM 0 HG CYS A 39 7.886 -2.350 2.676 1.00 0.00 H new ATOM 563 N ARG A 40 7.122 -2.497 6.764 1.00 0.00 N ATOM 564 CA ARG A 40 5.720 -2.533 7.165 1.00 0.00 C ATOM 565 C ARG A 40 5.024 -1.219 6.825 1.00 0.00 C ATOM 566 O ARG A 40 5.674 -0.224 6.502 1.00 0.00 O ATOM 567 CB ARG A 40 5.604 -2.811 8.665 1.00 0.00 C ATOM 568 CG ARG A 40 6.104 -1.671 9.536 1.00 0.00 C ATOM 569 CD ARG A 40 6.158 -2.073 11.002 1.00 0.00 C ATOM 570 NE ARG A 40 6.484 -0.943 11.867 1.00 0.00 N ATOM 571 CZ ARG A 40 6.740 -1.061 13.166 1.00 0.00 C ATOM 572 NH1 ARG A 40 6.708 -2.253 13.745 1.00 0.00 N ATOM 573 NH2 ARG A 40 7.029 0.015 13.887 1.00 0.00 N ATOM 0 H ARG A 40 7.577 -1.595 6.902 1.00 0.00 H new ATOM 0 HA ARG A 40 5.231 -3.336 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.561 -3.013 8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.167 -3.713 8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.097 -1.366 9.204 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.450 -0.807 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.196 -2.491 11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.902 -2.858 11.135 1.00 0.00 H new ATOM 0 HE ARG A 40 6.517 -0.012 11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.487 -3.082 13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.905 -2.341 14.742 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.055 0.934 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.225 -0.077 14.884 1.00 0.00 H new ATOM 587 N LEU A 41 3.697 -1.222 6.899 1.00 0.00 N ATOM 588 CA LEU A 41 2.911 -0.030 6.599 1.00 0.00 C ATOM 589 C LEU A 41 2.299 0.553 7.869 1.00 0.00 C ATOM 590 O LEU A 41 2.126 -0.149 8.865 1.00 0.00 O ATOM 591 CB LEU A 41 1.807 -0.363 5.594 1.00 0.00 C ATOM 592 CG LEU A 41 2.171 -0.196 4.118 1.00 0.00 C ATOM 593 CD1 LEU A 41 1.314 -1.105 3.251 1.00 0.00 C ATOM 594 CD2 LEU A 41 2.013 1.256 3.691 1.00 0.00 C ATOM 0 H LEU A 41 3.143 -2.036 7.164 1.00 0.00 H new ATOM 0 HA LEU A 41 3.578 0.715 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.495 -1.395 5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.945 0.269 5.809 1.00 0.00 H new ATOM 0 HG LEU A 41 3.215 -0.481 3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.587 -0.973 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.477 -2.143 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.263 -0.852 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.276 1.356 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.979 1.568 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.670 1.885 4.291 1.00 0.00 H new ATOM 606 N SER A 42 1.972 1.840 7.825 1.00 0.00 N ATOM 607 CA SER A 42 1.381 2.518 8.973 1.00 0.00 C ATOM 608 C SER A 42 -0.029 2.001 9.241 1.00 0.00 C ATOM 609 O SER A 42 -0.618 1.311 8.410 1.00 0.00 O ATOM 610 CB SER A 42 1.346 4.030 8.737 1.00 0.00 C ATOM 611 OG SER A 42 1.557 4.739 9.945 1.00 0.00 O ATOM 0 H SER A 42 2.106 2.434 7.007 1.00 0.00 H new ATOM 0 HA SER A 42 1.999 2.308 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.111 4.306 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.384 4.312 8.309 1.00 0.00 H new ATOM 0 HG SER A 42 2.505 4.693 10.190 1.00 0.00 H new ATOM 617 N ASN A 43 -0.565 2.341 10.410 1.00 0.00 N ATOM 618 CA ASN A 43 -1.905 1.911 10.790 1.00 0.00 C ATOM 619 C ASN A 43 -2.893 2.139 9.650 1.00 0.00 C ATOM 620 O ASN A 43 -3.714 1.275 9.344 1.00 0.00 O ATOM 621 CB ASN A 43 -2.369 2.663 12.039 1.00 0.00 C ATOM 622 CG ASN A 43 -1.896 2.002 13.320 1.00 0.00 C ATOM 623 OD1 ASN A 43 -2.534 1.080 13.828 1.00 0.00 O ATOM 624 ND2 ASN A 43 -0.772 2.472 13.848 1.00 0.00 N ATOM 0 H ASN A 43 -0.091 2.913 11.109 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.869 0.844 11.008 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.997 3.687 12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.458 2.719 12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.405 2.067 14.709 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.276 3.238 13.392 1.00 0.00 H new ATOM 631 N ASN A 44 -2.807 3.309 9.025 1.00 0.00 N ATOM 632 CA ASN A 44 -3.694 3.652 7.918 1.00 0.00 C ATOM 633 C ASN A 44 -3.008 3.408 6.577 1.00 0.00 C ATOM 634 O ASN A 44 -3.558 3.724 5.522 1.00 0.00 O ATOM 635 CB ASN A 44 -4.132 5.114 8.022 1.00 0.00 C ATOM 636 CG ASN A 44 -5.052 5.360 9.202 1.00 0.00 C ATOM 637 OD1 ASN A 44 -5.732 4.448 9.673 1.00 0.00 O ATOM 638 ND2 ASN A 44 -5.077 6.597 9.684 1.00 0.00 N ATOM 0 H ASN A 44 -2.133 4.035 9.266 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.574 3.012 7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.251 5.749 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.640 5.404 7.102 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.677 6.823 10.477 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.496 7.321 9.261 1.00 0.00 H new ATOM 645 N GLN A 45 -1.806 2.843 6.627 1.00 0.00 N ATOM 646 CA GLN A 45 -1.046 2.557 5.416 1.00 0.00 C ATOM 647 C GLN A 45 -0.860 3.819 4.580 1.00 0.00 C ATOM 648 O GLN A 45 -1.162 3.834 3.386 1.00 0.00 O ATOM 649 CB GLN A 45 -1.752 1.482 4.588 1.00 0.00 C ATOM 650 CG GLN A 45 -2.080 0.224 5.376 1.00 0.00 C ATOM 651 CD GLN A 45 -2.949 -0.743 4.597 1.00 0.00 C ATOM 652 OE1 GLN A 45 -3.981 -0.362 4.045 1.00 0.00 O ATOM 653 NE2 GLN A 45 -2.535 -2.004 4.548 1.00 0.00 N ATOM 0 H GLN A 45 -1.338 2.574 7.492 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.063 2.191 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.674 1.896 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.121 1.215 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.153 -0.274 5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.589 0.501 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.673 -2.276 5.020 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.079 -2.700 4.038 1.00 0.00 H new ATOM 662 N ARG A 46 -0.361 4.875 5.214 1.00 0.00 N ATOM 663 CA ARG A 46 -0.136 6.142 4.528 1.00 0.00 C ATOM 664 C ARG A 46 1.355 6.392 4.323 1.00 0.00 C ATOM 665 O ARG A 46 1.748 7.339 3.643 1.00 0.00 O ATOM 666 CB ARG A 46 -0.752 7.294 5.325 1.00 0.00 C ATOM 667 CG ARG A 46 -2.259 7.411 5.160 1.00 0.00 C ATOM 668 CD ARG A 46 -2.622 8.301 3.982 1.00 0.00 C ATOM 669 NE ARG A 46 -2.109 9.659 4.143 1.00 0.00 N ATOM 670 CZ ARG A 46 -2.636 10.720 3.542 1.00 0.00 C ATOM 671 NH1 ARG A 46 -3.686 10.581 2.745 1.00 0.00 N ATOM 672 NH2 ARG A 46 -2.113 11.924 3.739 1.00 0.00 N ATOM 0 H ARG A 46 -0.105 4.878 6.201 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.616 6.087 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.520 7.159 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.287 8.229 5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.688 6.420 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.696 7.817 6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.222 7.869 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.706 8.334 3.873 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.302 9.800 4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.091 9.658 2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.089 11.397 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.306 12.035 4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.518 12.738 3.277 1.00 0.00 H new ATOM 686 N TYR A 47 2.180 5.536 4.917 1.00 0.00 N ATOM 687 CA TYR A 47 3.628 5.665 4.802 1.00 0.00 C ATOM 688 C TYR A 47 4.314 4.323 5.032 1.00 0.00 C ATOM 689 O TYR A 47 3.682 3.352 5.451 1.00 0.00 O ATOM 690 CB TYR A 47 4.150 6.696 5.804 1.00 0.00 C ATOM 691 CG TYR A 47 3.302 7.945 5.885 1.00 0.00 C ATOM 692 CD1 TYR A 47 2.216 8.017 6.749 1.00 0.00 C ATOM 693 CD2 TYR A 47 3.587 9.055 5.098 1.00 0.00 C ATOM 694 CE1 TYR A 47 1.438 9.156 6.825 1.00 0.00 C ATOM 695 CE2 TYR A 47 2.816 10.198 5.169 1.00 0.00 C ATOM 696 CZ TYR A 47 1.742 10.244 6.034 1.00 0.00 C ATOM 697 OH TYR A 47 0.971 11.381 6.108 1.00 0.00 O ATOM 0 H TYR A 47 1.871 4.746 5.483 1.00 0.00 H new ATOM 0 HA TYR A 47 3.858 6.002 3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.201 6.237 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.167 6.975 5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.976 7.168 7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.426 9.023 4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.596 9.194 7.500 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.052 11.052 4.551 1.00 0.00 H new ATOM 0 HH TYR A 47 1.320 12.054 5.487 1.00 0.00 H new ATOM 707 N LEU A 48 5.613 4.275 4.756 1.00 0.00 N ATOM 708 CA LEU A 48 6.389 3.052 4.933 1.00 0.00 C ATOM 709 C LEU A 48 7.469 3.241 5.993 1.00 0.00 C ATOM 710 O LEU A 48 8.098 4.296 6.072 1.00 0.00 O ATOM 711 CB LEU A 48 7.026 2.633 3.607 1.00 0.00 C ATOM 712 CG LEU A 48 6.088 1.995 2.583 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.736 1.969 1.208 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.700 0.589 3.018 1.00 0.00 C ATOM 0 H LEU A 48 6.151 5.069 4.409 1.00 0.00 H new ATOM 0 HA LEU A 48 5.712 2.266 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.483 3.512 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.831 1.930 3.820 1.00 0.00 H new ATOM 0 HG LEU A 48 5.182 2.599 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.053 1.511 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.962 2.988 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.658 1.389 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.032 0.150 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.596 -0.025 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.193 0.633 3.982 1.00 0.00 H new ATOM 726 N PHE A 49 7.681 2.211 6.805 1.00 0.00 N ATOM 727 CA PHE A 49 8.686 2.263 7.860 1.00 0.00 C ATOM 728 C PHE A 49 9.674 1.107 7.727 1.00 0.00 C ATOM 729 O PHE A 49 9.329 0.034 7.230 1.00 0.00 O ATOM 730 CB PHE A 49 8.016 2.220 9.235 1.00 0.00 C ATOM 731 CG PHE A 49 6.862 3.171 9.369 1.00 0.00 C ATOM 732 CD1 PHE A 49 6.983 4.490 8.964 1.00 0.00 C ATOM 733 CD2 PHE A 49 5.655 2.745 9.900 1.00 0.00 C ATOM 734 CE1 PHE A 49 5.922 5.368 9.086 1.00 0.00 C ATOM 735 CE2 PHE A 49 4.590 3.618 10.024 1.00 0.00 C ATOM 736 CZ PHE A 49 4.725 4.932 9.618 1.00 0.00 C ATOM 0 H PHE A 49 7.170 1.330 6.753 1.00 0.00 H new ATOM 0 HA PHE A 49 9.234 3.200 7.760 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.665 1.206 9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.758 2.451 9.999 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.917 4.837 8.548 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.545 1.720 10.221 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.029 6.394 8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.654 3.273 10.438 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.896 5.617 9.717 1.00 0.00 H new ATOM 746 N LEU A 50 10.905 1.335 8.172 1.00 0.00 N ATOM 747 CA LEU A 50 11.945 0.314 8.103 1.00 0.00 C ATOM 748 C LEU A 50 12.600 0.112 9.465 1.00 0.00 C ATOM 749 O LEU A 50 12.730 1.052 10.249 1.00 0.00 O ATOM 750 CB LEU A 50 13.002 0.704 7.068 1.00 0.00 C ATOM 751 CG LEU A 50 12.483 1.017 5.664 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.515 1.814 4.880 1.00 0.00 C ATOM 753 CD2 LEU A 50 12.126 -0.266 4.929 1.00 0.00 C ATOM 0 H LEU A 50 11.207 2.218 8.584 1.00 0.00 H new ATOM 0 HA LEU A 50 11.480 -0.624 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.539 1.577 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.726 -0.108 6.994 1.00 0.00 H new ATOM 0 HG LEU A 50 11.581 1.621 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.129 2.028 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.722 2.751 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.435 1.235 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.759 -0.024 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.011 -0.896 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.352 -0.798 5.482 1.00 0.00 H new ATOM 765 N ASP A 51 13.013 -1.121 9.739 1.00 0.00 N ATOM 766 CA ASP A 51 13.659 -1.447 11.006 1.00 0.00 C ATOM 767 C ASP A 51 14.939 -2.243 10.774 1.00 0.00 C ATOM 768 O ASP A 51 14.906 -3.345 10.227 1.00 0.00 O ATOM 769 CB ASP A 51 12.705 -2.240 11.900 1.00 0.00 C ATOM 770 CG ASP A 51 11.290 -1.695 11.864 1.00 0.00 C ATOM 771 OD1 ASP A 51 11.132 -0.458 11.796 1.00 0.00 O ATOM 772 OD2 ASP A 51 10.342 -2.506 11.902 1.00 0.00 O ATOM 0 H ASP A 51 12.912 -1.911 9.101 1.00 0.00 H new ATOM 0 HA ASP A 51 13.919 -0.513 11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.698 -3.283 11.583 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.073 -2.221 12.926 1.00 0.00 H new ATOM 777 N GLY A 52 16.067 -1.678 11.194 1.00 0.00 N ATOM 778 CA GLY A 52 17.342 -2.349 11.022 1.00 0.00 C ATOM 779 C GLY A 52 18.516 -1.466 11.396 1.00 0.00 C ATOM 780 O GLY A 52 18.583 -0.950 12.511 1.00 0.00 O ATOM 0 H GLY A 52 16.120 -0.767 11.650 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.360 -3.251 11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.445 -2.666 9.984 1.00 0.00 H new ATOM 784 N ASP A 53 19.446 -1.294 10.462 1.00 0.00 N ATOM 785 CA ASP A 53 20.624 -0.469 10.700 1.00 0.00 C ATOM 786 C ASP A 53 20.252 0.806 11.451 1.00 0.00 C ATOM 787 O ASP A 53 20.891 1.163 12.441 1.00 0.00 O ATOM 788 CB ASP A 53 21.301 -0.116 9.375 1.00 0.00 C ATOM 789 CG ASP A 53 20.372 0.615 8.426 1.00 0.00 C ATOM 790 OD1 ASP A 53 19.417 -0.017 7.926 1.00 0.00 O ATOM 791 OD2 ASP A 53 20.598 1.819 8.185 1.00 0.00 O ATOM 0 H ASP A 53 19.406 -1.715 9.534 1.00 0.00 H new ATOM 0 HA ASP A 53 21.320 -1.041 11.314 1.00 0.00 H new ATOM 0 HB2 ASP A 53 22.176 0.504 9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.658 -1.029 8.898 1.00 0.00 H new ATOM 796 N SER A 54 19.217 1.488 10.972 1.00 0.00 N ATOM 797 CA SER A 54 18.763 2.726 11.595 1.00 0.00 C ATOM 798 C SER A 54 17.274 2.946 11.345 1.00 0.00 C ATOM 799 O SER A 54 16.678 2.308 10.476 1.00 0.00 O ATOM 800 CB SER A 54 19.563 3.914 11.059 1.00 0.00 C ATOM 801 OG SER A 54 20.736 4.126 11.825 1.00 0.00 O ATOM 0 H SER A 54 18.677 1.204 10.155 1.00 0.00 H new ATOM 0 HA SER A 54 18.924 2.644 12.670 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.832 3.735 10.018 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.945 4.811 11.079 1.00 0.00 H new ATOM 0 HG SER A 54 21.049 3.271 12.188 1.00 0.00 H new ATOM 807 N HIS A 55 16.679 3.853 12.113 1.00 0.00 N ATOM 808 CA HIS A 55 15.260 4.159 11.975 1.00 0.00 C ATOM 809 C HIS A 55 14.984 4.875 10.657 1.00 0.00 C ATOM 810 O HIS A 55 15.148 6.091 10.553 1.00 0.00 O ATOM 811 CB HIS A 55 14.786 5.021 13.146 1.00 0.00 C ATOM 812 CG HIS A 55 15.565 6.290 13.309 1.00 0.00 C ATOM 813 ND1 HIS A 55 15.097 7.518 12.892 1.00 0.00 N ATOM 814 CD2 HIS A 55 16.785 6.517 13.849 1.00 0.00 C ATOM 815 CE1 HIS A 55 15.997 8.446 13.167 1.00 0.00 C ATOM 816 NE2 HIS A 55 17.030 7.864 13.749 1.00 0.00 N ATOM 0 H HIS A 55 17.158 4.389 12.837 1.00 0.00 H new ATOM 0 HA HIS A 55 14.709 3.218 11.979 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.734 5.266 13.003 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.856 4.440 14.066 1.00 0.00 H new ATOM 0 HD2 HIS A 55 17.443 5.776 14.279 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.904 9.500 12.952 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.873 8.339 14.072 1.00 0.00 H new ATOM 824 N TYR A 56 14.565 4.114 9.652 1.00 0.00 N ATOM 825 CA TYR A 56 14.270 4.675 8.339 1.00 0.00 C ATOM 826 C TYR A 56 12.769 4.660 8.065 1.00 0.00 C ATOM 827 O TYR A 56 12.048 3.787 8.549 1.00 0.00 O ATOM 828 CB TYR A 56 15.006 3.894 7.250 1.00 0.00 C ATOM 829 CG TYR A 56 16.386 4.433 6.947 1.00 0.00 C ATOM 830 CD1 TYR A 56 16.568 5.445 6.012 1.00 0.00 C ATOM 831 CD2 TYR A 56 17.508 3.930 7.594 1.00 0.00 C ATOM 832 CE1 TYR A 56 17.827 5.940 5.732 1.00 0.00 C ATOM 833 CE2 TYR A 56 18.770 4.420 7.321 1.00 0.00 C ATOM 834 CZ TYR A 56 18.925 5.425 6.389 1.00 0.00 C ATOM 835 OH TYR A 56 20.181 5.914 6.112 1.00 0.00 O ATOM 0 H TYR A 56 14.422 3.106 9.722 1.00 0.00 H new ATOM 0 HA TYR A 56 14.613 5.710 8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.091 2.852 7.557 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.410 3.910 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.711 5.851 5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.391 3.142 8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.951 6.726 5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.631 4.018 7.835 1.00 0.00 H new ATOM 0 HH TYR A 56 20.843 5.445 6.661 1.00 0.00 H new ATOM 845 N GLU A 57 12.306 5.631 7.285 1.00 0.00 N ATOM 846 CA GLU A 57 10.891 5.730 6.946 1.00 0.00 C ATOM 847 C GLU A 57 10.704 6.363 5.571 1.00 0.00 C ATOM 848 O GLU A 57 11.077 7.516 5.351 1.00 0.00 O ATOM 849 CB GLU A 57 10.147 6.548 8.003 1.00 0.00 C ATOM 850 CG GLU A 57 10.209 5.945 9.396 1.00 0.00 C ATOM 851 CD GLU A 57 11.501 6.275 10.117 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.041 7.379 9.894 1.00 0.00 O ATOM 853 OE2 GLU A 57 11.973 5.429 10.906 1.00 0.00 O ATOM 0 H GLU A 57 12.890 6.360 6.876 1.00 0.00 H new ATOM 0 HA GLU A 57 10.478 4.722 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.566 7.554 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.103 6.646 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.366 6.309 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.103 4.862 9.324 1.00 0.00 H new ATOM 860 N ILE A 58 10.124 5.602 4.649 1.00 0.00 N ATOM 861 CA ILE A 58 9.887 6.089 3.296 1.00 0.00 C ATOM 862 C ILE A 58 8.440 6.535 3.118 1.00 0.00 C ATOM 863 O ILE A 58 7.537 5.709 2.987 1.00 0.00 O ATOM 864 CB ILE A 58 10.213 5.011 2.244 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.669 4.561 2.379 1.00 0.00 C ATOM 866 CG2 ILE A 58 9.943 5.539 0.843 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.932 3.186 1.807 1.00 0.00 C ATOM 0 H ILE A 58 9.810 4.646 4.814 1.00 0.00 H new ATOM 0 HA ILE A 58 10.549 6.942 3.147 1.00 0.00 H new ATOM 0 HB ILE A 58 9.568 4.149 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.312 5.284 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.946 4.566 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.178 4.766 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.892 5.815 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.565 6.415 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.984 2.933 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.315 2.452 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.687 3.181 0.745 1.00 0.00 H new ATOM 879 N GLU A 59 8.227 7.847 3.112 1.00 0.00 N ATOM 880 CA GLU A 59 6.889 8.403 2.949 1.00 0.00 C ATOM 881 C GLU A 59 6.373 8.173 1.531 1.00 0.00 C ATOM 882 O GLU A 59 7.004 8.585 0.557 1.00 0.00 O ATOM 883 CB GLU A 59 6.891 9.899 3.267 1.00 0.00 C ATOM 884 CG GLU A 59 6.817 10.206 4.753 1.00 0.00 C ATOM 885 CD GLU A 59 8.187 10.306 5.397 1.00 0.00 C ATOM 886 OE1 GLU A 59 8.700 9.267 5.862 1.00 0.00 O ATOM 887 OE2 GLU A 59 8.744 11.423 5.437 1.00 0.00 O ATOM 0 H GLU A 59 8.964 8.544 3.218 1.00 0.00 H new ATOM 0 HA GLU A 59 6.224 7.893 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.796 10.348 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.046 10.370 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.281 11.144 4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.241 9.428 5.253 1.00 0.00 H new ATOM 894 N ILE A 60 5.225 7.514 1.425 1.00 0.00 N ATOM 895 CA ILE A 60 4.625 7.231 0.127 1.00 0.00 C ATOM 896 C ILE A 60 4.369 8.516 -0.653 1.00 0.00 C ATOM 897 O ILE A 60 4.587 8.574 -1.863 1.00 0.00 O ATOM 898 CB ILE A 60 3.299 6.462 0.276 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.539 5.116 0.962 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.648 6.260 -1.084 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.269 4.445 1.438 1.00 0.00 C ATOM 0 H ILE A 60 4.692 7.166 2.222 1.00 0.00 H new ATOM 0 HA ILE A 60 5.336 6.612 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 60 2.623 7.050 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.054 4.451 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.203 5.265 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.712 5.715 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.447 7.230 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.318 5.690 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.515 3.496 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.763 5.091 2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.612 4.264 0.587 1.00 0.00 H new ATOM 913 N VAL A 61 3.907 9.546 0.049 1.00 0.00 N ATOM 914 CA VAL A 61 3.625 10.832 -0.577 1.00 0.00 C ATOM 915 C VAL A 61 4.780 11.276 -1.467 1.00 0.00 C ATOM 916 O VAL A 61 4.585 12.013 -2.434 1.00 0.00 O ATOM 917 CB VAL A 61 3.356 11.922 0.477 1.00 0.00 C ATOM 918 CG1 VAL A 61 2.238 11.494 1.416 1.00 0.00 C ATOM 919 CG2 VAL A 61 4.626 12.235 1.255 1.00 0.00 C ATOM 0 H VAL A 61 3.720 9.515 1.051 1.00 0.00 H new ATOM 0 HA VAL A 61 2.732 10.697 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 61 3.038 12.829 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.063 12.277 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.326 11.324 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.523 10.573 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.418 13.007 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.975 11.334 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.395 12.588 0.569 1.00 0.00 H new ATOM 929 N HIS A 62 5.984 10.821 -1.135 1.00 0.00 N ATOM 930 CA HIS A 62 7.172 11.170 -1.906 1.00 0.00 C ATOM 931 C HIS A 62 7.391 10.180 -3.046 1.00 0.00 C ATOM 932 O HIS A 62 7.637 10.575 -4.186 1.00 0.00 O ATOM 933 CB HIS A 62 8.403 11.201 -0.999 1.00 0.00 C ATOM 934 CG HIS A 62 8.537 12.470 -0.215 1.00 0.00 C ATOM 935 ND1 HIS A 62 7.900 12.892 0.902 1.00 0.00 N flip ATOM 936 CD2 HIS A 62 9.411 13.479 -0.560 1.00 0.00 C flip ATOM 937 CE1 HIS A 62 8.397 14.134 1.210 1.00 0.00 C flip ATOM 938 NE2 HIS A 62 9.308 14.466 0.313 1.00 0.00 N flip ATOM 0 H HIS A 62 6.163 10.210 -0.338 1.00 0.00 H new ATOM 0 HA HIS A 62 7.019 12.161 -2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.356 10.360 -0.308 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.296 11.064 -1.608 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.076 13.465 -1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.093 14.741 2.050 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.841 15.336 0.297 1.00 0.00 H new ATOM 946 N ILE A 63 7.300 8.892 -2.730 1.00 0.00 N ATOM 947 CA ILE A 63 7.488 7.846 -3.728 1.00 0.00 C ATOM 948 C ILE A 63 6.795 8.206 -5.038 1.00 0.00 C ATOM 949 O ILE A 63 5.629 8.599 -5.048 1.00 0.00 O ATOM 950 CB ILE A 63 6.950 6.492 -3.232 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.577 6.132 -1.883 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.227 5.403 -4.258 1.00 0.00 C ATOM 953 CD1 ILE A 63 7.171 4.768 -1.372 1.00 0.00 C ATOM 0 H ILE A 63 7.097 8.548 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 63 8.561 7.761 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 63 5.871 6.574 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.663 6.168 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.294 6.885 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.840 4.452 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.738 5.656 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.302 5.320 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.653 4.581 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.089 4.734 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.478 4.005 -2.087 1.00 0.00 H new ATOM 965 N SER A 64 7.522 8.068 -6.143 1.00 0.00 N ATOM 966 CA SER A 64 6.978 8.381 -7.459 1.00 0.00 C ATOM 967 C SER A 64 6.673 7.104 -8.238 1.00 0.00 C ATOM 968 O SER A 64 5.541 6.880 -8.668 1.00 0.00 O ATOM 969 CB SER A 64 7.961 9.250 -8.247 1.00 0.00 C ATOM 970 OG SER A 64 7.945 10.588 -7.781 1.00 0.00 O ATOM 0 H SER A 64 8.488 7.742 -6.153 1.00 0.00 H new ATOM 0 HA SER A 64 6.048 8.932 -7.319 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.967 8.841 -8.155 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.704 9.227 -9.306 1.00 0.00 H new ATOM 0 HG SER A 64 8.582 11.122 -8.299 1.00 0.00 H new ATOM 976 N THR A 65 7.693 6.270 -8.417 1.00 0.00 N ATOM 977 CA THR A 65 7.536 5.017 -9.144 1.00 0.00 C ATOM 978 C THR A 65 7.489 3.829 -8.190 1.00 0.00 C ATOM 979 O THR A 65 8.150 3.828 -7.151 1.00 0.00 O ATOM 980 CB THR A 65 8.681 4.805 -10.152 1.00 0.00 C ATOM 981 OG1 THR A 65 8.778 5.934 -11.028 1.00 0.00 O ATOM 982 CG2 THR A 65 8.457 3.542 -10.969 1.00 0.00 C ATOM 0 H THR A 65 8.636 6.440 -8.068 1.00 0.00 H new ATOM 0 HA THR A 65 6.592 5.083 -9.685 1.00 0.00 H new ATOM 0 HB THR A 65 9.611 4.697 -9.594 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.509 5.792 -11.665 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.279 3.414 -11.674 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.413 2.681 -10.303 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.519 3.625 -11.517 1.00 0.00 H new ATOM 990 N VAL A 66 6.703 2.818 -8.548 1.00 0.00 N ATOM 991 CA VAL A 66 6.571 1.623 -7.724 1.00 0.00 C ATOM 992 C VAL A 66 6.339 0.386 -8.583 1.00 0.00 C ATOM 993 O VAL A 66 5.258 0.202 -9.143 1.00 0.00 O ATOM 994 CB VAL A 66 5.414 1.760 -6.717 1.00 0.00 C ATOM 995 CG1 VAL A 66 5.244 0.476 -5.920 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.651 2.944 -5.792 1.00 0.00 C ATOM 0 H VAL A 66 6.148 2.803 -9.404 1.00 0.00 H new ATOM 0 HA VAL A 66 7.507 1.511 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 66 4.493 1.939 -7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.422 0.592 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.025 -0.348 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.163 0.262 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.824 3.026 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.582 2.797 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.718 3.859 -6.381 1.00 0.00 H new ATOM 1006 N GLN A 67 7.359 -0.460 -8.682 1.00 0.00 N ATOM 1007 CA GLN A 67 7.266 -1.680 -9.474 1.00 0.00 C ATOM 1008 C GLN A 67 7.916 -2.853 -8.747 1.00 0.00 C ATOM 1009 O GLN A 67 8.720 -2.660 -7.835 1.00 0.00 O ATOM 1010 CB GLN A 67 7.928 -1.481 -10.839 1.00 0.00 C ATOM 1011 CG GLN A 67 9.446 -1.422 -10.775 1.00 0.00 C ATOM 1012 CD GLN A 67 10.093 -1.564 -12.139 1.00 0.00 C ATOM 1013 OE1 GLN A 67 9.873 -0.744 -13.031 1.00 0.00 O ATOM 1014 NE2 GLN A 67 10.897 -2.607 -12.307 1.00 0.00 N ATOM 0 H GLN A 67 8.260 -0.323 -8.223 1.00 0.00 H new ATOM 0 HA GLN A 67 6.210 -1.907 -9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.632 -2.296 -11.500 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.555 -0.558 -11.284 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.751 -0.475 -10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.809 -2.214 -10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.050 -3.261 -11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.361 -2.754 -13.203 1.00 0.00 H new ATOM 1023 N ILE A 68 7.562 -4.066 -9.156 1.00 0.00 N ATOM 1024 CA ILE A 68 8.112 -5.269 -8.544 1.00 0.00 C ATOM 1025 C ILE A 68 9.218 -5.869 -9.406 1.00 0.00 C ATOM 1026 O ILE A 68 9.096 -5.942 -10.629 1.00 0.00 O ATOM 1027 CB ILE A 68 7.022 -6.333 -8.314 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.903 -5.767 -7.437 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.622 -7.577 -7.678 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.676 -6.650 -7.378 1.00 0.00 C ATOM 0 H ILE A 68 6.897 -4.242 -9.909 1.00 0.00 H new ATOM 0 HA ILE A 68 8.527 -4.971 -7.581 1.00 0.00 H new ATOM 0 HB ILE A 68 6.597 -6.611 -9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.284 -5.620 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.617 -4.786 -7.816 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.839 -8.319 -7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.387 -7.989 -8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.070 -7.315 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.925 -6.186 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.270 -6.777 -8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.948 -7.624 -6.971 1.00 0.00 H new ATOM 1042 N LEU A 69 10.297 -6.298 -8.760 1.00 0.00 N ATOM 1043 CA LEU A 69 11.425 -6.894 -9.467 1.00 0.00 C ATOM 1044 C LEU A 69 11.189 -8.380 -9.714 1.00 0.00 C ATOM 1045 O LEU A 69 10.736 -9.105 -8.827 1.00 0.00 O ATOM 1046 CB LEU A 69 12.714 -6.696 -8.668 1.00 0.00 C ATOM 1047 CG LEU A 69 13.104 -5.248 -8.369 1.00 0.00 C ATOM 1048 CD1 LEU A 69 14.293 -5.199 -7.422 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.416 -4.503 -9.659 1.00 0.00 C ATOM 0 H LEU A 69 10.414 -6.244 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 69 11.522 -6.396 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.616 -7.227 -7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.532 -7.166 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 69 12.260 -4.758 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.556 -4.160 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.034 -5.695 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.143 -5.706 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.692 -3.474 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.243 -4.994 -10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.537 -4.507 -10.303 1.00 0.00 H new ATOM 1061 N THR A 70 11.502 -8.830 -10.925 1.00 0.00 N ATOM 1062 CA THR A 70 11.325 -10.231 -11.289 1.00 0.00 C ATOM 1063 C THR A 70 12.492 -10.731 -12.132 1.00 0.00 C ATOM 1064 O THR A 70 12.809 -10.155 -13.172 1.00 0.00 O ATOM 1065 CB THR A 70 10.014 -10.447 -12.068 1.00 0.00 C ATOM 1066 OG1 THR A 70 9.771 -9.336 -12.938 1.00 0.00 O ATOM 1067 CG2 THR A 70 8.840 -10.617 -11.115 1.00 0.00 C ATOM 0 H THR A 70 11.879 -8.245 -11.670 1.00 0.00 H new ATOM 0 HA THR A 70 11.284 -10.797 -10.358 1.00 0.00 H new ATOM 0 HB THR A 70 10.116 -11.356 -12.661 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.937 -9.483 -13.431 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.925 -10.768 -11.688 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.014 -11.481 -10.474 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.739 -9.723 -10.499 1.00 0.00 H new ATOM 1214 N ALA A 82 8.044 -13.425 -7.514 1.00 0.00 N ATOM 1215 CA ALA A 82 8.664 -12.183 -7.071 1.00 0.00 C ATOM 1216 C ALA A 82 9.988 -12.451 -6.365 1.00 0.00 C ATOM 1217 O ALA A 82 10.059 -13.263 -5.441 1.00 0.00 O ATOM 1218 CB ALA A 82 7.719 -11.420 -6.154 1.00 0.00 C ATOM 0 HA ALA A 82 8.870 -11.574 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.195 -10.494 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.800 -11.187 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.485 -12.032 -5.283 1.00 0.00 H new ATOM 1224 N THR A 83 11.038 -11.765 -6.805 1.00 0.00 N ATOM 1225 CA THR A 83 12.361 -11.930 -6.216 1.00 0.00 C ATOM 1226 C THR A 83 12.723 -10.741 -5.334 1.00 0.00 C ATOM 1227 O THR A 83 13.322 -10.904 -4.271 1.00 0.00 O ATOM 1228 CB THR A 83 13.442 -12.098 -7.301 1.00 0.00 C ATOM 1229 OG1 THR A 83 13.100 -13.183 -8.170 1.00 0.00 O ATOM 1230 CG2 THR A 83 14.804 -12.353 -6.673 1.00 0.00 C ATOM 0 H THR A 83 10.998 -11.089 -7.568 1.00 0.00 H new ATOM 0 HA THR A 83 12.325 -12.833 -5.606 1.00 0.00 H new ATOM 0 HB THR A 83 13.493 -11.175 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.791 -13.282 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 83 15.551 -12.468 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 83 15.074 -11.511 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.764 -13.263 -6.074 1.00 0.00 H new ATOM 1238 N GLY A 84 12.354 -9.544 -5.780 1.00 0.00 N ATOM 1239 CA GLY A 84 12.649 -8.345 -5.018 1.00 0.00 C ATOM 1240 C GLY A 84 11.626 -7.249 -5.243 1.00 0.00 C ATOM 1241 O GLY A 84 10.517 -7.512 -5.708 1.00 0.00 O ATOM 0 H GLY A 84 11.856 -9.383 -6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.685 -8.592 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.637 -7.977 -5.293 1.00 0.00 H new ATOM 1245 N MET A 85 11.998 -6.017 -4.911 1.00 0.00 N ATOM 1246 CA MET A 85 11.103 -4.878 -5.080 1.00 0.00 C ATOM 1247 C MET A 85 11.883 -3.629 -5.476 1.00 0.00 C ATOM 1248 O MET A 85 13.065 -3.495 -5.157 1.00 0.00 O ATOM 1249 CB MET A 85 10.324 -4.619 -3.789 1.00 0.00 C ATOM 1250 CG MET A 85 9.015 -3.877 -4.007 1.00 0.00 C ATOM 1251 SD MET A 85 7.627 -4.991 -4.299 1.00 0.00 S ATOM 1252 CE MET A 85 6.244 -3.900 -3.971 1.00 0.00 C ATOM 0 H MET A 85 12.912 -5.782 -4.524 1.00 0.00 H new ATOM 0 HA MET A 85 10.400 -5.115 -5.879 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.115 -5.572 -3.303 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.949 -4.043 -3.106 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.803 -3.259 -3.135 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.121 -3.203 -4.857 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.453 -4.087 -4.697 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.865 -4.085 -2.966 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.572 -2.863 -4.050 1.00 0.00 H new ATOM 1262 N PHE A 86 11.215 -2.716 -6.174 1.00 0.00 N ATOM 1263 CA PHE A 86 11.847 -1.478 -6.615 1.00 0.00 C ATOM 1264 C PHE A 86 10.954 -0.277 -6.319 1.00 0.00 C ATOM 1265 O PHE A 86 9.931 -0.073 -6.974 1.00 0.00 O ATOM 1266 CB PHE A 86 12.154 -1.543 -8.113 1.00 0.00 C ATOM 1267 CG PHE A 86 13.065 -0.446 -8.586 1.00 0.00 C ATOM 1268 CD1 PHE A 86 14.403 -0.435 -8.225 1.00 0.00 C ATOM 1269 CD2 PHE A 86 12.584 0.573 -9.392 1.00 0.00 C ATOM 1270 CE1 PHE A 86 15.243 0.573 -8.659 1.00 0.00 C ATOM 1271 CE2 PHE A 86 13.419 1.583 -9.829 1.00 0.00 C ATOM 1272 CZ PHE A 86 14.751 1.583 -9.463 1.00 0.00 C ATOM 0 H PHE A 86 10.237 -2.810 -6.446 1.00 0.00 H new ATOM 0 HA PHE A 86 12.780 -1.359 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.610 -2.507 -8.341 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.218 -1.493 -8.670 1.00 0.00 H new ATOM 0 HD1 PHE A 86 14.793 -1.223 -7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 86 11.544 0.578 -9.682 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.284 0.571 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.031 2.372 -10.456 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.406 2.371 -9.805 1.00 0.00 H new ATOM 1282 N LEU A 87 11.349 0.516 -5.329 1.00 0.00 N ATOM 1283 CA LEU A 87 10.585 1.698 -4.944 1.00 0.00 C ATOM 1284 C LEU A 87 11.430 2.960 -5.081 1.00 0.00 C ATOM 1285 O LEU A 87 12.512 3.060 -4.503 1.00 0.00 O ATOM 1286 CB LEU A 87 10.083 1.559 -3.506 1.00 0.00 C ATOM 1287 CG LEU A 87 9.266 0.304 -3.198 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.444 -0.105 -1.744 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.796 0.534 -3.514 1.00 0.00 C ATOM 0 H LEU A 87 12.194 0.362 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 87 9.729 1.782 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.944 1.580 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.474 2.432 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 87 9.629 -0.507 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.855 -1.000 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.497 -0.312 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.108 0.704 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.230 -0.370 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.419 1.359 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.685 0.778 -4.571 1.00 0.00 H new ATOM 1301 N GLN A 88 10.927 3.923 -5.848 1.00 0.00 N ATOM 1302 CA GLN A 88 11.636 5.180 -6.058 1.00 0.00 C ATOM 1303 C GLN A 88 11.045 6.289 -5.194 1.00 0.00 C ATOM 1304 O GLN A 88 9.873 6.241 -4.820 1.00 0.00 O ATOM 1305 CB GLN A 88 11.578 5.581 -7.533 1.00 0.00 C ATOM 1306 CG GLN A 88 12.568 4.828 -8.407 1.00 0.00 C ATOM 1307 CD GLN A 88 12.643 5.383 -9.816 1.00 0.00 C ATOM 1308 OE1 GLN A 88 11.829 5.041 -10.675 1.00 0.00 O ATOM 1309 NE2 GLN A 88 13.622 6.246 -10.061 1.00 0.00 N ATOM 0 H GLN A 88 10.032 3.857 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 88 12.677 5.035 -5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.569 5.408 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.771 6.650 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.557 4.872 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.283 3.777 -8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.274 6.501 -9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.722 6.654 -10.991 1.00 0.00 H new ATOM 1318 N TYR A 89 11.864 7.286 -4.880 1.00 0.00 N ATOM 1319 CA TYR A 89 11.423 8.407 -4.057 1.00 0.00 C ATOM 1320 C TYR A 89 12.463 9.523 -4.056 1.00 0.00 C ATOM 1321 O TYR A 89 13.619 9.313 -4.424 1.00 0.00 O ATOM 1322 CB TYR A 89 11.157 7.941 -2.625 1.00 0.00 C ATOM 1323 CG TYR A 89 12.327 7.219 -1.995 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.481 7.906 -1.637 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.280 5.851 -1.759 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.553 7.251 -1.062 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.346 5.188 -1.183 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.480 5.892 -0.837 1.00 0.00 C ATOM 1329 OH TYR A 89 15.546 5.236 -0.264 1.00 0.00 O ATOM 0 H TYR A 89 12.837 7.342 -5.182 1.00 0.00 H new ATOM 0 HA TYR A 89 10.498 8.797 -4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.902 8.806 -2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.290 7.281 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.541 8.970 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.394 5.296 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.443 7.800 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.292 4.124 -1.005 1.00 0.00 H new ATOM 0 HH TYR A 89 16.026 5.849 0.331 1.00 0.00 H new ATOM 1339 N THR A 90 12.043 10.713 -3.637 1.00 0.00 N ATOM 1340 CA THR A 90 12.935 11.865 -3.588 1.00 0.00 C ATOM 1341 C THR A 90 13.252 12.252 -2.148 1.00 0.00 C ATOM 1342 O THR A 90 12.540 11.869 -1.220 1.00 0.00 O ATOM 1343 CB THR A 90 12.325 13.080 -4.312 1.00 0.00 C ATOM 1344 OG1 THR A 90 11.110 13.476 -3.667 1.00 0.00 O ATOM 1345 CG2 THR A 90 12.048 12.756 -5.772 1.00 0.00 C ATOM 0 H THR A 90 11.090 10.904 -3.327 1.00 0.00 H new ATOM 0 HA THR A 90 13.855 11.575 -4.095 1.00 0.00 H new ATOM 0 HB THR A 90 13.042 13.899 -4.268 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.730 14.250 -4.133 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.618 13.629 -6.263 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.980 12.484 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.348 11.923 -5.833 1.00 0.00 H new ATOM 1353 N VAL A 91 14.326 13.015 -1.968 1.00 0.00 N ATOM 1354 CA VAL A 91 14.737 13.457 -0.641 1.00 0.00 C ATOM 1355 C VAL A 91 14.870 14.974 -0.583 1.00 0.00 C ATOM 1356 O VAL A 91 15.498 15.600 -1.437 1.00 0.00 O ATOM 1357 CB VAL A 91 16.076 12.819 -0.227 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.547 13.382 1.106 1.00 0.00 C ATOM 1359 CG2 VAL A 91 15.946 11.305 -0.159 1.00 0.00 C ATOM 0 H VAL A 91 14.927 13.340 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 91 13.960 13.137 0.053 1.00 0.00 H new ATOM 0 HB VAL A 91 16.823 13.063 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.495 12.919 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.682 14.460 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.803 13.170 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.902 10.871 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.185 11.038 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.658 10.920 -1.137 1.00 0.00 H new ATOM 1369 N PRO A 92 14.265 15.582 0.448 1.00 0.00 N ATOM 1370 CA PRO A 92 14.302 17.035 0.644 1.00 0.00 C ATOM 1371 C PRO A 92 15.689 17.531 1.037 1.00 0.00 C ATOM 1372 O PRO A 92 16.138 17.320 2.163 1.00 0.00 O ATOM 1373 CB PRO A 92 13.308 17.265 1.784 1.00 0.00 C ATOM 1374 CG PRO A 92 13.282 15.976 2.530 1.00 0.00 C ATOM 1375 CD PRO A 92 13.498 14.899 1.504 1.00 0.00 C ATOM 0 HA PRO A 92 14.055 17.576 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.625 18.087 2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.320 17.521 1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.061 15.951 3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.330 15.841 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.049 14.054 1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.553 14.509 1.126 1.00 0.00 H new ATOM 1383 N GLY A 93 16.363 18.193 0.102 1.00 0.00 N ATOM 1384 CA GLY A 93 17.693 18.710 0.371 1.00 0.00 C ATOM 1385 C GLY A 93 18.706 18.272 -0.667 1.00 0.00 C ATOM 1386 O GLY A 93 19.549 19.062 -1.095 1.00 0.00 O ATOM 0 H GLY A 93 16.012 18.381 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.657 19.799 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 93 18.018 18.374 1.356 1.00 0.00 H new ATOM 1390 N THR A 94 18.627 17.009 -1.075 1.00 0.00 N ATOM 1391 CA THR A 94 19.546 16.467 -2.068 1.00 0.00 C ATOM 1392 C THR A 94 19.029 16.704 -3.482 1.00 0.00 C ATOM 1393 O THR A 94 17.868 17.061 -3.676 1.00 0.00 O ATOM 1394 CB THR A 94 19.769 14.957 -1.861 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.960 14.541 -2.538 1.00 0.00 O ATOM 1396 CG2 THR A 94 18.582 14.159 -2.376 1.00 0.00 C ATOM 0 H THR A 94 17.935 16.342 -0.733 1.00 0.00 H new ATOM 0 HA THR A 94 20.495 16.988 -1.939 1.00 0.00 H new ATOM 0 HB THR A 94 19.875 14.771 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.096 13.580 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 94 18.763 13.096 -2.219 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.682 14.457 -1.838 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.449 14.351 -3.441 1.00 0.00 H new ATOM 1404 N GLU A 95 19.899 16.501 -4.467 1.00 0.00 N ATOM 1405 CA GLU A 95 19.529 16.693 -5.864 1.00 0.00 C ATOM 1406 C GLU A 95 19.484 15.359 -6.603 1.00 0.00 C ATOM 1407 O GLU A 95 20.490 14.659 -6.706 1.00 0.00 O ATOM 1408 CB GLU A 95 20.518 17.636 -6.552 1.00 0.00 C ATOM 1409 CG GLU A 95 21.961 17.167 -6.474 1.00 0.00 C ATOM 1410 CD GLU A 95 22.933 18.172 -7.062 1.00 0.00 C ATOM 1411 OE1 GLU A 95 22.871 19.357 -6.673 1.00 0.00 O ATOM 1412 OE2 GLU A 95 23.757 17.772 -7.911 1.00 0.00 O ATOM 0 H GLU A 95 20.864 16.204 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 95 18.534 17.138 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 95 20.236 17.744 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.441 18.624 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.223 16.980 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 95 22.060 16.219 -7.003 1.00 0.00 H new ATOM 1419 N GLY A 96 18.307 15.012 -7.116 1.00 0.00 N ATOM 1420 CA GLY A 96 18.151 13.763 -7.838 1.00 0.00 C ATOM 1421 C GLY A 96 17.105 12.860 -7.216 1.00 0.00 C ATOM 1422 O GLY A 96 16.318 13.296 -6.376 1.00 0.00 O ATOM 0 H GLY A 96 17.459 15.574 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.875 13.976 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.107 13.241 -7.865 1.00 0.00 H new ATOM 1426 N VAL A 97 17.094 11.597 -7.630 1.00 0.00 N ATOM 1427 CA VAL A 97 16.136 10.630 -7.108 1.00 0.00 C ATOM 1428 C VAL A 97 16.843 9.389 -6.574 1.00 0.00 C ATOM 1429 O VAL A 97 17.838 8.935 -7.140 1.00 0.00 O ATOM 1430 CB VAL A 97 15.123 10.205 -8.187 1.00 0.00 C ATOM 1431 CG1 VAL A 97 14.177 9.144 -7.644 1.00 0.00 C ATOM 1432 CG2 VAL A 97 14.348 11.412 -8.695 1.00 0.00 C ATOM 0 H VAL A 97 17.738 11.220 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 97 15.604 11.121 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 97 15.671 9.774 -9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.469 8.856 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.750 8.270 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.634 9.544 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.637 11.093 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.810 11.874 -7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.041 12.135 -9.125 1.00 0.00 H new ATOM 1442 N THR A 98 16.322 8.843 -5.479 1.00 0.00 N ATOM 1443 CA THR A 98 16.904 7.654 -4.868 1.00 0.00 C ATOM 1444 C THR A 98 16.030 6.429 -5.108 1.00 0.00 C ATOM 1445 O THR A 98 14.805 6.533 -5.174 1.00 0.00 O ATOM 1446 CB THR A 98 17.100 7.842 -3.351 1.00 0.00 C ATOM 1447 OG1 THR A 98 17.958 8.960 -3.103 1.00 0.00 O ATOM 1448 CG2 THR A 98 17.694 6.590 -2.724 1.00 0.00 C ATOM 0 H THR A 98 15.499 9.205 -4.998 1.00 0.00 H new ATOM 0 HA THR A 98 17.876 7.500 -5.337 1.00 0.00 H new ATOM 0 HB THR A 98 16.125 8.027 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.076 9.074 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 98 17.824 6.746 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.023 5.747 -2.890 1.00 0.00 H new ATOM 0 HG23 THR A 98 18.661 6.379 -3.180 1.00 0.00 H new ATOM 1456 N GLN A 99 16.667 5.270 -5.237 1.00 0.00 N ATOM 1457 CA GLN A 99 15.945 4.024 -5.470 1.00 0.00 C ATOM 1458 C GLN A 99 16.209 3.024 -4.348 1.00 0.00 C ATOM 1459 O GLN A 99 17.250 3.072 -3.693 1.00 0.00 O ATOM 1460 CB GLN A 99 16.351 3.419 -6.815 1.00 0.00 C ATOM 1461 CG GLN A 99 17.784 2.911 -6.846 1.00 0.00 C ATOM 1462 CD GLN A 99 18.800 4.034 -6.909 1.00 0.00 C ATOM 1463 OE1 GLN A 99 19.570 4.244 -5.972 1.00 0.00 O ATOM 1464 NE2 GLN A 99 18.808 4.763 -8.019 1.00 0.00 N ATOM 0 H GLN A 99 17.680 5.167 -5.184 1.00 0.00 H new ATOM 0 HA GLN A 99 14.879 4.249 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.677 2.596 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.223 4.170 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.971 2.307 -5.958 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.915 2.258 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.152 4.554 -8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.471 5.532 -8.119 1.00 0.00 H new ATOM 1473 N LEU A 100 15.259 2.121 -4.133 1.00 0.00 N ATOM 1474 CA LEU A 100 15.389 1.109 -3.090 1.00 0.00 C ATOM 1475 C LEU A 100 15.178 -0.291 -3.660 1.00 0.00 C ATOM 1476 O LEU A 100 14.294 -0.509 -4.488 1.00 0.00 O ATOM 1477 CB LEU A 100 14.382 1.372 -1.969 1.00 0.00 C ATOM 1478 CG LEU A 100 14.765 0.845 -0.586 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.696 1.820 0.118 1.00 0.00 C ATOM 1480 CD2 LEU A 100 13.520 0.595 0.253 1.00 0.00 C ATOM 0 H LEU A 100 14.391 2.069 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 100 16.399 1.168 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.224 2.448 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.428 0.928 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 100 15.291 -0.101 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.958 1.428 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.602 1.950 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.196 2.782 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.812 0.220 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.967 1.527 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.888 -0.142 -0.244 1.00 0.00 H new ATOM 1492 N LYS A 101 15.995 -1.236 -3.209 1.00 0.00 N ATOM 1493 CA LYS A 101 15.898 -2.616 -3.670 1.00 0.00 C ATOM 1494 C LYS A 101 15.627 -3.561 -2.505 1.00 0.00 C ATOM 1495 O LYS A 101 16.338 -3.544 -1.499 1.00 0.00 O ATOM 1496 CB LYS A 101 17.186 -3.028 -4.386 1.00 0.00 C ATOM 1497 CG LYS A 101 16.974 -4.078 -5.464 1.00 0.00 C ATOM 1498 CD LYS A 101 18.227 -4.281 -6.298 1.00 0.00 C ATOM 1499 CE LYS A 101 17.904 -4.907 -7.646 1.00 0.00 C ATOM 1500 NZ LYS A 101 19.066 -4.853 -8.576 1.00 0.00 N ATOM 0 H LYS A 101 16.733 -1.072 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 101 15.064 -2.681 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.640 -2.145 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.894 -3.412 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.686 -5.022 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.150 -3.776 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.723 -3.323 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.926 -4.919 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.602 -5.944 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.056 -4.388 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.805 -5.290 -9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.338 -3.862 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 19.867 -5.370 -8.161 1.00 0.00 H new ATOM 1514 N LEU A 102 14.595 -4.387 -2.646 1.00 0.00 N ATOM 1515 CA LEU A 102 14.231 -5.341 -1.605 1.00 0.00 C ATOM 1516 C LEU A 102 14.412 -6.775 -2.093 1.00 0.00 C ATOM 1517 O LEU A 102 14.116 -7.093 -3.245 1.00 0.00 O ATOM 1518 CB LEU A 102 12.782 -5.119 -1.166 1.00 0.00 C ATOM 1519 CG LEU A 102 12.467 -3.751 -0.559 1.00 0.00 C ATOM 1520 CD1 LEU A 102 10.969 -3.593 -0.349 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.215 -3.565 0.753 1.00 0.00 C ATOM 0 H LEU A 102 13.996 -4.415 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 102 14.891 -5.180 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.135 -5.269 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.523 -5.886 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 102 12.798 -2.980 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.764 -2.614 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.456 -3.682 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.612 -4.370 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.979 -2.586 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.915 -4.342 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.288 -3.634 0.573 1.00 0.00 H new ATOM 1533 N THR A 103 14.899 -7.639 -1.207 1.00 0.00 N ATOM 1534 CA THR A 103 15.119 -9.039 -1.547 1.00 0.00 C ATOM 1535 C THR A 103 14.492 -9.962 -0.508 1.00 0.00 C ATOM 1536 O THR A 103 14.467 -9.648 0.682 1.00 0.00 O ATOM 1537 CB THR A 103 16.621 -9.360 -1.662 1.00 0.00 C ATOM 1538 OG1 THR A 103 17.275 -8.368 -2.461 1.00 0.00 O ATOM 1539 CG2 THR A 103 16.835 -10.735 -2.276 1.00 0.00 C ATOM 0 H THR A 103 15.148 -7.393 -0.249 1.00 0.00 H new ATOM 0 HA THR A 103 14.644 -9.208 -2.513 1.00 0.00 H new ATOM 0 HB THR A 103 17.048 -9.357 -0.659 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.230 -8.579 -2.527 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.903 -10.939 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.362 -11.491 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 103 16.393 -10.761 -3.272 1.00 0.00 H new ATOM 1547 N VAL A 104 13.985 -11.103 -0.966 1.00 0.00 N ATOM 1548 CA VAL A 104 13.359 -12.073 -0.075 1.00 0.00 C ATOM 1549 C VAL A 104 14.383 -12.691 0.871 1.00 0.00 C ATOM 1550 O VAL A 104 15.473 -13.081 0.454 1.00 0.00 O ATOM 1551 CB VAL A 104 12.665 -13.196 -0.868 1.00 0.00 C ATOM 1552 CG1 VAL A 104 12.307 -14.355 0.050 1.00 0.00 C ATOM 1553 CG2 VAL A 104 11.429 -12.663 -1.576 1.00 0.00 C ATOM 0 H VAL A 104 13.996 -11.378 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 104 12.611 -11.533 0.506 1.00 0.00 H new ATOM 0 HB VAL A 104 13.358 -13.564 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.817 -15.139 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.214 -14.752 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.632 -14.005 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.951 -13.470 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.730 -12.266 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.718 -11.870 -2.265 1.00 0.00 H new ATOM 1563 N VAL A 105 14.023 -12.777 2.148 1.00 0.00 N ATOM 1564 CA VAL A 105 14.909 -13.350 3.154 1.00 0.00 C ATOM 1565 C VAL A 105 14.257 -14.541 3.847 1.00 0.00 C ATOM 1566 O VAL A 105 13.047 -14.554 4.071 1.00 0.00 O ATOM 1567 CB VAL A 105 15.302 -12.305 4.215 1.00 0.00 C ATOM 1568 CG1 VAL A 105 16.187 -12.932 5.281 1.00 0.00 C ATOM 1569 CG2 VAL A 105 15.999 -11.120 3.563 1.00 0.00 C ATOM 0 H VAL A 105 13.125 -12.457 2.510 1.00 0.00 H new ATOM 0 HA VAL A 105 15.806 -13.684 2.633 1.00 0.00 H new ATOM 0 HB VAL A 105 14.394 -11.944 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 105 16.454 -12.178 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 105 15.649 -13.745 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.093 -13.323 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 105 16.270 -10.391 4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 105 16.899 -11.463 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 105 15.328 -10.656 2.841 1.00 0.00 H new ATOM 1659 N ARG A 112 9.269 -17.227 1.920 1.00 0.00 N ATOM 1660 CA ARG A 112 8.937 -16.439 0.739 1.00 0.00 C ATOM 1661 C ARG A 112 7.437 -16.166 0.672 1.00 0.00 C ATOM 1662 O ARG A 112 7.013 -15.042 0.402 1.00 0.00 O ATOM 1663 CB ARG A 112 9.391 -17.165 -0.529 1.00 0.00 C ATOM 1664 CG ARG A 112 9.547 -16.249 -1.732 1.00 0.00 C ATOM 1665 CD ARG A 112 10.625 -16.752 -2.679 1.00 0.00 C ATOM 1666 NE ARG A 112 10.435 -16.254 -4.039 1.00 0.00 N ATOM 1667 CZ ARG A 112 11.367 -16.321 -4.983 1.00 0.00 C ATOM 1668 NH1 ARG A 112 12.548 -16.861 -4.716 1.00 0.00 N ATOM 1669 NH2 ARG A 112 11.119 -15.846 -6.197 1.00 0.00 N ATOM 0 HA ARG A 112 9.460 -15.485 0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 112 10.343 -17.659 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.669 -17.946 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 112 8.598 -16.180 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 112 9.798 -15.243 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 112 11.603 -16.441 -2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 112 10.620 -17.842 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 112 9.537 -15.832 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 112 12.743 -17.226 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 112 13.262 -16.911 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 112 10.212 -15.429 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 112 11.835 -15.898 -6.921 1.00 0.00 H new ATOM 1683 N ARG A 113 6.641 -17.200 0.920 1.00 0.00 N ATOM 1684 CA ARG A 113 5.189 -17.072 0.886 1.00 0.00 C ATOM 1685 C ARG A 113 4.748 -15.732 1.468 1.00 0.00 C ATOM 1686 O ARG A 113 3.934 -15.025 0.874 1.00 0.00 O ATOM 1687 CB ARG A 113 4.536 -18.217 1.663 1.00 0.00 C ATOM 1688 CG ARG A 113 4.409 -19.502 0.862 1.00 0.00 C ATOM 1689 CD ARG A 113 5.772 -20.084 0.521 1.00 0.00 C ATOM 1690 NE ARG A 113 5.716 -21.529 0.319 1.00 0.00 N ATOM 1691 CZ ARG A 113 6.628 -22.212 -0.363 1.00 0.00 C ATOM 1692 NH1 ARG A 113 7.663 -21.584 -0.904 1.00 0.00 N ATOM 1693 NH2 ARG A 113 6.508 -23.526 -0.503 1.00 0.00 N ATOM 0 H ARG A 113 6.977 -18.136 1.147 1.00 0.00 H new ATOM 0 HA ARG A 113 4.869 -17.120 -0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 113 5.121 -18.415 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.545 -17.904 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.833 -20.231 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 113 3.856 -19.306 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 113 6.154 -19.607 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 113 6.474 -19.857 1.324 1.00 0.00 H new ATOM 0 HE ARG A 113 4.933 -22.042 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 113 7.760 -20.574 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 113 8.362 -22.111 -1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 113 5.714 -24.013 -0.086 1.00 0.00 H new ATOM 0 HH22 ARG A 113 7.209 -24.049 -1.027 1.00 0.00 H new ATOM 1707 N GLN A 114 5.290 -15.391 2.632 1.00 0.00 N ATOM 1708 CA GLN A 114 4.951 -14.136 3.294 1.00 0.00 C ATOM 1709 C GLN A 114 5.455 -12.943 2.489 1.00 0.00 C ATOM 1710 O GLN A 114 4.670 -12.102 2.051 1.00 0.00 O ATOM 1711 CB GLN A 114 5.544 -14.103 4.704 1.00 0.00 C ATOM 1712 CG GLN A 114 5.409 -12.752 5.389 1.00 0.00 C ATOM 1713 CD GLN A 114 3.993 -12.212 5.339 1.00 0.00 C ATOM 1714 OE1 GLN A 114 3.750 -11.123 4.817 1.00 0.00 O ATOM 1715 NE2 GLN A 114 3.050 -12.972 5.882 1.00 0.00 N ATOM 0 H GLN A 114 5.965 -15.965 3.136 1.00 0.00 H new ATOM 0 HA GLN A 114 3.865 -14.072 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.052 -14.861 5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.599 -14.371 4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.723 -12.843 6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.083 -12.039 4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.297 -13.867 6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.079 -12.661 5.878 1.00 0.00 H new ATOM 1724 N ALA A 115 6.768 -12.876 2.299 1.00 0.00 N ATOM 1725 CA ALA A 115 7.376 -11.786 1.545 1.00 0.00 C ATOM 1726 C ALA A 115 6.583 -11.485 0.278 1.00 0.00 C ATOM 1727 O ALA A 115 6.001 -10.409 0.138 1.00 0.00 O ATOM 1728 CB ALA A 115 8.819 -12.124 1.199 1.00 0.00 C ATOM 0 H ALA A 115 7.432 -13.563 2.657 1.00 0.00 H new ATOM 0 HA ALA A 115 7.363 -10.893 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.260 -11.302 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.386 -12.281 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.846 -13.032 0.596 1.00 0.00 H new ATOM 1734 N VAL A 116 6.564 -12.443 -0.644 1.00 0.00 N ATOM 1735 CA VAL A 116 5.841 -12.281 -1.900 1.00 0.00 C ATOM 1736 C VAL A 116 4.464 -11.669 -1.667 1.00 0.00 C ATOM 1737 O VAL A 116 4.096 -10.683 -2.305 1.00 0.00 O ATOM 1738 CB VAL A 116 5.676 -13.627 -2.630 1.00 0.00 C ATOM 1739 CG1 VAL A 116 4.875 -13.445 -3.910 1.00 0.00 C ATOM 1740 CG2 VAL A 116 7.035 -14.243 -2.925 1.00 0.00 C ATOM 0 H VAL A 116 7.041 -13.339 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 116 6.433 -11.609 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 116 5.127 -14.308 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.769 -14.406 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.888 -13.050 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.394 -12.747 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.899 -15.194 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.612 -13.567 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.569 -14.411 -1.990 1.00 0.00 H new ATOM 1750 N ALA A 117 3.708 -12.260 -0.748 1.00 0.00 N ATOM 1751 CA ALA A 117 2.372 -11.772 -0.429 1.00 0.00 C ATOM 1752 C ALA A 117 2.387 -10.271 -0.158 1.00 0.00 C ATOM 1753 O ALA A 117 1.469 -9.551 -0.553 1.00 0.00 O ATOM 1754 CB ALA A 117 1.809 -12.521 0.770 1.00 0.00 C ATOM 0 H ALA A 117 3.998 -13.077 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 117 1.730 -11.953 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.811 -12.146 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.754 -13.585 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.459 -12.369 1.632 1.00 0.00 H new ATOM 1760 N TRP A 118 3.432 -9.806 0.516 1.00 0.00 N ATOM 1761 CA TRP A 118 3.565 -8.390 0.840 1.00 0.00 C ATOM 1762 C TRP A 118 4.011 -7.593 -0.380 1.00 0.00 C ATOM 1763 O TRP A 118 3.446 -6.543 -0.689 1.00 0.00 O ATOM 1764 CB TRP A 118 4.562 -8.199 1.983 1.00 0.00 C ATOM 1765 CG TRP A 118 4.613 -6.792 2.498 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.045 -6.319 3.647 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.264 -5.676 1.881 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.305 -4.976 3.781 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.052 -4.558 2.711 1.00 0.00 C ATOM 1770 CE3 TRP A 118 6.008 -5.513 0.709 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.556 -3.297 2.405 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.507 -4.261 0.406 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.280 -3.166 1.251 1.00 0.00 C ATOM 0 H TRP A 118 4.200 -10.389 0.849 1.00 0.00 H new ATOM 0 HA TRP A 118 2.589 -8.021 1.154 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.298 -8.869 2.802 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.555 -8.490 1.641 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.476 -6.913 4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 118 3.992 -4.386 4.552 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.189 -6.351 0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.382 -2.452 3.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 7.082 -4.124 -0.498 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.684 -2.200 0.986 1.00 0.00 H new ATOM 1784 N LEU A 119 5.028 -8.096 -1.071 1.00 0.00 N ATOM 1785 CA LEU A 119 5.550 -7.430 -2.259 1.00 0.00 C ATOM 1786 C LEU A 119 4.432 -7.132 -3.252 1.00 0.00 C ATOM 1787 O LEU A 119 4.316 -6.014 -3.755 1.00 0.00 O ATOM 1788 CB LEU A 119 6.621 -8.297 -2.924 1.00 0.00 C ATOM 1789 CG LEU A 119 7.847 -8.623 -2.070 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.710 -9.672 -2.754 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.654 -7.363 -1.793 1.00 0.00 C ATOM 0 H LEU A 119 5.508 -8.963 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 119 5.996 -6.485 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 119 6.160 -9.235 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.958 -7.792 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 119 7.506 -9.028 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.578 -9.891 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.129 -10.582 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.043 -9.295 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.523 -7.614 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.985 -6.928 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.033 -6.643 -1.260 1.00 0.00 H new ATOM 1803 N VAL A 120 3.610 -8.139 -3.530 1.00 0.00 N ATOM 1804 CA VAL A 120 2.498 -7.983 -4.461 1.00 0.00 C ATOM 1805 C VAL A 120 1.389 -7.132 -3.854 1.00 0.00 C ATOM 1806 O VAL A 120 0.636 -6.472 -4.571 1.00 0.00 O ATOM 1807 CB VAL A 120 1.916 -9.349 -4.872 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.350 -10.075 -3.661 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.850 -9.172 -5.943 1.00 0.00 C ATOM 0 H VAL A 120 3.693 -9.071 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 120 2.892 -7.483 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 120 2.720 -9.957 -5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.943 -11.038 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 120 2.142 -10.234 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.558 -9.474 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.449 -10.146 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.046 -8.546 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.290 -8.696 -6.819 1.00 0.00 H new ATOM 1819 N ALA A 121 1.293 -7.150 -2.529 1.00 0.00 N ATOM 1820 CA ALA A 121 0.277 -6.378 -1.825 1.00 0.00 C ATOM 1821 C ALA A 121 0.493 -4.881 -2.020 1.00 0.00 C ATOM 1822 O ALA A 121 -0.430 -4.153 -2.384 1.00 0.00 O ATOM 1823 CB ALA A 121 0.281 -6.725 -0.344 1.00 0.00 C ATOM 0 H ALA A 121 1.907 -7.691 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.695 -6.637 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.483 -6.141 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.070 -7.787 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.258 -6.496 0.081 1.00 0.00 H new ATOM 1829 N MET A 122 1.718 -4.427 -1.773 1.00 0.00 N ATOM 1830 CA MET A 122 2.054 -3.016 -1.922 1.00 0.00 C ATOM 1831 C MET A 122 1.734 -2.527 -3.331 1.00 0.00 C ATOM 1832 O MET A 122 1.044 -1.522 -3.508 1.00 0.00 O ATOM 1833 CB MET A 122 3.535 -2.788 -1.615 1.00 0.00 C ATOM 1834 CG MET A 122 3.920 -1.320 -1.533 1.00 0.00 C ATOM 1835 SD MET A 122 3.746 -0.648 0.131 1.00 0.00 S ATOM 1836 CE MET A 122 3.802 1.110 -0.206 1.00 0.00 C ATOM 0 H MET A 122 2.494 -5.016 -1.469 1.00 0.00 H new ATOM 0 HA MET A 122 1.451 -2.448 -1.214 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.780 -3.273 -0.670 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.136 -3.270 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 122 4.952 -1.200 -1.863 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.297 -0.746 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.045 1.649 0.710 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.564 1.312 -0.959 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.831 1.441 -0.575 1.00 0.00 H new ATOM 1846 N HIS A 123 2.238 -3.243 -4.331 1.00 0.00 N ATOM 1847 CA HIS A 123 2.005 -2.881 -5.724 1.00 0.00 C ATOM 1848 C HIS A 123 0.511 -2.799 -6.021 1.00 0.00 C ATOM 1849 O HIS A 123 0.070 -1.975 -6.823 1.00 0.00 O ATOM 1850 CB HIS A 123 2.667 -3.897 -6.655 1.00 0.00 C ATOM 1851 CG HIS A 123 2.819 -3.410 -8.063 1.00 0.00 C ATOM 1852 ND1 HIS A 123 3.901 -2.934 -8.723 1.00 0.00 N flip ATOM 1853 CD2 HIS A 123 1.776 -3.374 -8.964 1.00 0.00 C flip ATOM 1854 CE1 HIS A 123 3.496 -2.625 -9.998 1.00 0.00 C flip ATOM 1855 NE2 HIS A 123 2.209 -2.900 -10.118 1.00 0.00 N flip ATOM 0 H HIS A 123 2.810 -4.077 -4.202 1.00 0.00 H new ATOM 0 HA HIS A 123 2.447 -1.900 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.650 -4.153 -6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 123 2.076 -4.813 -6.658 1.00 0.00 H new ATOM 0 HD2 HIS A 123 0.762 -3.685 -8.758 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.127 -2.222 -10.777 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.646 -2.769 -10.958 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.265 -3.659 -5.371 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.710 -3.685 -5.564 1.00 0.00 C ATOM 1865 C LYS A 124 -2.368 -2.474 -4.911 1.00 0.00 C ATOM 1866 O LYS A 124 -3.185 -1.791 -5.528 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.300 -4.973 -4.985 1.00 0.00 C ATOM 1868 CG LYS A 124 -2.360 -6.117 -5.983 1.00 0.00 C ATOM 1869 CD LYS A 124 -3.521 -7.052 -5.690 1.00 0.00 C ATOM 1870 CE LYS A 124 -3.297 -8.427 -6.301 1.00 0.00 C ATOM 1871 NZ LYS A 124 -2.525 -9.319 -5.392 1.00 0.00 N ATOM 0 H LYS A 124 0.083 -4.348 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.909 -3.651 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -1.704 -5.282 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.306 -4.769 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -2.460 -5.716 -6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -1.425 -6.676 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -3.649 -7.148 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -4.443 -6.624 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -4.260 -8.885 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -2.764 -8.322 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -1.905 -9.935 -5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -1.948 -8.742 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -3.183 -9.903 -4.838 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.006 -2.213 -3.659 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.558 -1.082 -2.924 1.00 0.00 C ATOM 1887 C ALA A 125 -2.170 0.240 -3.577 1.00 0.00 C ATOM 1888 O ALA A 125 -3.031 1.052 -3.915 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.091 -1.114 -1.476 1.00 0.00 C ATOM 0 H ALA A 125 -1.333 -2.770 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.645 -1.163 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.511 -0.263 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -2.424 -2.040 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.003 -1.062 -1.443 1.00 0.00 H new ATOM 1895 N ALA A 126 -0.870 0.449 -3.753 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.369 1.672 -4.367 1.00 0.00 C ATOM 1897 C ALA A 126 -1.314 2.167 -5.457 1.00 0.00 C ATOM 1898 O ALA A 126 -1.553 3.367 -5.589 1.00 0.00 O ATOM 1899 CB ALA A 126 1.023 1.444 -4.937 1.00 0.00 C ATOM 0 H ALA A 126 -0.144 -0.213 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.313 2.440 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.385 2.366 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.699 1.145 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 126 0.983 0.658 -5.691 1.00 0.00 H new ATOM 1905 N LYS A 127 -1.850 1.234 -6.236 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.771 1.573 -7.315 1.00 0.00 C ATOM 1907 C LYS A 127 -3.944 2.395 -6.790 1.00 0.00 C ATOM 1908 O LYS A 127 -4.281 3.440 -7.348 1.00 0.00 O ATOM 1909 CB LYS A 127 -3.287 0.302 -7.992 1.00 0.00 C ATOM 1910 CG LYS A 127 -2.260 -0.372 -8.885 1.00 0.00 C ATOM 1911 CD LYS A 127 -2.854 -1.564 -9.617 1.00 0.00 C ATOM 1912 CE LYS A 127 -1.822 -2.244 -10.504 1.00 0.00 C ATOM 1913 NZ LYS A 127 -2.240 -3.621 -10.885 1.00 0.00 N ATOM 0 H LYS A 127 -1.662 0.236 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.229 2.172 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.608 -0.403 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.167 0.549 -8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -1.878 0.348 -9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.412 -0.699 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -3.242 -2.281 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -3.698 -1.236 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.668 -1.649 -11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.866 -2.286 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.511 -4.051 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.362 -4.196 -10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.140 -3.579 -11.405 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.561 1.918 -5.715 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.696 2.610 -5.114 1.00 0.00 C ATOM 1929 C LEU A 128 -5.326 4.043 -4.745 1.00 0.00 C ATOM 1930 O LEU A 128 -6.092 4.976 -4.990 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.176 1.858 -3.872 1.00 0.00 C ATOM 1932 CG LEU A 128 -6.960 0.570 -4.127 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.018 -0.278 -2.867 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.363 0.889 -4.623 1.00 0.00 C ATOM 0 H LEU A 128 -4.295 1.055 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.502 2.640 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.307 1.615 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.802 2.530 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.444 0.000 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.580 -1.190 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.006 -0.536 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.510 0.284 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.906 -0.039 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -8.888 1.480 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.300 1.455 -5.553 1.00 0.00 H new ATOM 1946 N LEU A 129 -4.148 4.211 -4.156 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.675 5.531 -3.754 1.00 0.00 C ATOM 1948 C LEU A 129 -3.744 6.512 -4.920 1.00 0.00 C ATOM 1949 O LEU A 129 -4.360 7.573 -4.816 1.00 0.00 O ATOM 1950 CB LEU A 129 -2.240 5.443 -3.231 1.00 0.00 C ATOM 1951 CG LEU A 129 -2.087 5.190 -1.731 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.620 5.029 -1.363 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -2.717 6.321 -0.931 1.00 0.00 C ATOM 0 H LEU A 129 -3.502 3.450 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.324 5.895 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.727 4.645 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.727 6.373 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.607 4.264 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.531 4.850 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.199 4.185 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.077 5.937 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.598 6.123 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.227 7.261 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.778 6.389 -1.171 1.00 0.00 H new ATOM 1965 N TYR A 130 -3.109 6.150 -6.029 1.00 0.00 N ATOM 1966 CA TYR A 130 -3.098 6.998 -7.215 1.00 0.00 C ATOM 1967 C TYR A 130 -4.374 6.812 -8.030 1.00 0.00 C ATOM 1968 O TYR A 130 -5.156 7.747 -8.202 1.00 0.00 O ATOM 1969 CB TYR A 130 -1.877 6.685 -8.081 1.00 0.00 C ATOM 1970 CG TYR A 130 -0.657 6.281 -7.283 1.00 0.00 C ATOM 1971 CD1 TYR A 130 -0.305 6.960 -6.124 1.00 0.00 C ATOM 1972 CD2 TYR A 130 0.143 5.220 -7.690 1.00 0.00 C ATOM 1973 CE1 TYR A 130 0.809 6.595 -5.393 1.00 0.00 C ATOM 1974 CE2 TYR A 130 1.258 4.847 -6.964 1.00 0.00 C ATOM 1975 CZ TYR A 130 1.587 5.538 -5.817 1.00 0.00 C ATOM 1976 OH TYR A 130 2.697 5.171 -5.091 1.00 0.00 O ATOM 0 H TYR A 130 -2.595 5.275 -6.131 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.046 8.036 -6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -2.130 5.883 -8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -1.634 7.561 -8.682 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -0.912 7.788 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -0.111 4.678 -8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.069 7.134 -4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 130 1.868 4.019 -7.293 1.00 0.00 H new ATOM 0 HH TYR A 130 3.134 4.408 -5.524 1.00 0.00 H new