USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 832 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 91 SER OG : rot 151:sc= 0.758 USER MOD Set 1.2: A 94 THR OG1 : rot 122:sc= 1.14 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.124 K(o=0.051,f=-1.5!) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 149:sc= 0.175 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.0768 K(o=0.077,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= -0.0704 (180deg=-1.29) USER MOD Single : A 39 SER OG : rot -150:sc= 0.115 USER MOD Single : A 44 HIS : no HE2:sc= -2.81 X(o=-2.8,f=-3.1!) USER MOD Single : A 52 GLN :FLIP amide:sc= -1.36 F(o=-1.9,f=-1.4) USER MOD Single : A 53 CYS SG : rot -160:sc= 0.3 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 56 MET CE :methyl -104:sc= -3.61! (180deg=-4.67!) USER MOD Single : A 60 MET CE :methyl -131:sc= -3.05 (180deg=-3.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -100:sc= -0.788 USER MOD Single : A 84 SER OG : rot 180:sc=-0.000904 USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0247) USER MOD Single : A 87 TYR OH : rot 136:sc= 0.00216 USER MOD Single : A 90 SER OG : rot -58:sc= 0.189 USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= -0.0665 (180deg=-0.375) USER MOD Single : A 100 ASN : amide:sc= -0.0788 K(o=-0.079,f=-0.98) USER MOD Single : A 101 SER OG : rot -56:sc= 0.182 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -114:sc= -0.209 (180deg=-1.45) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.0515 F(o=-1,f=-0.052) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 158:sc= -1.16 (180deg=-2.25) USER MOD Single : A 118 LYS NZ :NH3+ -119:sc= -0.0566 (180deg=-2.23!) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.072 1.957 -9.222 1.00 0.00 N ATOM 202 CA VAL A 20 -2.282 1.914 -8.410 1.00 0.00 C ATOM 203 C VAL A 20 -3.515 2.249 -9.242 1.00 0.00 C ATOM 204 O VAL A 20 -3.632 3.349 -9.780 1.00 0.00 O ATOM 205 CB VAL A 20 -2.197 2.891 -7.223 1.00 0.00 C ATOM 206 CG1 VAL A 20 -2.000 4.316 -7.717 1.00 0.00 C ATOM 207 CG2 VAL A 20 -3.443 2.786 -6.356 1.00 0.00 C ATOM 0 HA VAL A 20 -2.370 0.897 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.334 2.621 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.942 4.992 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.076 4.377 -8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.840 4.601 -8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.366 3.483 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.323 3.029 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.535 1.770 -5.972 1.00 0.00 H new ATOM 217 N GLU A 21 -4.432 1.291 -9.343 1.00 0.00 N ATOM 218 CA GLU A 21 -5.656 1.486 -10.111 1.00 0.00 C ATOM 219 C GLU A 21 -6.571 2.498 -9.429 1.00 0.00 C ATOM 220 O GLU A 21 -6.465 2.733 -8.226 1.00 0.00 O ATOM 221 CB GLU A 21 -6.391 0.155 -10.286 1.00 0.00 C ATOM 222 CG GLU A 21 -5.790 -0.735 -11.362 1.00 0.00 C ATOM 223 CD GLU A 21 -4.652 -1.592 -10.841 1.00 0.00 C ATOM 224 OE1 GLU A 21 -3.580 -1.030 -10.534 1.00 0.00 O ATOM 225 OE2 GLU A 21 -4.834 -2.823 -10.742 1.00 0.00 O ATOM 0 H GLU A 21 -4.350 0.374 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.381 1.874 -11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.385 -0.381 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.434 0.355 -10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.568 -1.380 -11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.427 -0.114 -12.181 1.00 0.00 H new ATOM 232 N GLU A 22 -7.468 3.095 -10.208 1.00 0.00 N ATOM 233 CA GLU A 22 -8.400 4.084 -9.679 1.00 0.00 C ATOM 234 C GLU A 22 -9.843 3.615 -9.845 1.00 0.00 C ATOM 235 O GLU A 22 -10.248 3.188 -10.927 1.00 0.00 O ATOM 236 CB GLU A 22 -8.205 5.429 -10.382 1.00 0.00 C ATOM 237 CG GLU A 22 -6.950 6.166 -9.948 1.00 0.00 C ATOM 238 CD GLU A 22 -6.433 7.115 -11.012 1.00 0.00 C ATOM 239 OE1 GLU A 22 -6.703 6.870 -12.206 1.00 0.00 O ATOM 240 OE2 GLU A 22 -5.759 8.102 -10.651 1.00 0.00 O ATOM 0 H GLU A 22 -7.569 2.911 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.196 4.206 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.165 5.264 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.072 6.060 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.159 6.727 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.173 5.441 -9.705 1.00 0.00 H new ATOM 247 N VAL A 23 -10.614 3.697 -8.766 1.00 0.00 N ATOM 248 CA VAL A 23 -12.012 3.282 -8.791 1.00 0.00 C ATOM 249 C VAL A 23 -12.905 4.393 -9.331 1.00 0.00 C ATOM 250 O VAL A 23 -12.915 5.506 -8.808 1.00 0.00 O ATOM 251 CB VAL A 23 -12.503 2.880 -7.388 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.960 2.446 -7.436 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.628 1.776 -6.814 1.00 0.00 C ATOM 0 H VAL A 23 -10.294 4.047 -7.863 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.074 2.417 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.429 3.748 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.289 2.166 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.573 3.269 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.063 1.591 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.989 1.504 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.668 0.904 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.599 2.128 -6.742 1.00 0.00 H new ATOM 263 N GLY A 24 -13.656 4.082 -10.384 1.00 0.00 N ATOM 264 CA GLY A 24 -14.544 5.065 -10.978 1.00 0.00 C ATOM 265 C GLY A 24 -15.899 5.107 -10.300 1.00 0.00 C ATOM 266 O GLY A 24 -16.515 6.167 -10.194 1.00 0.00 O ATOM 0 H GLY A 24 -13.665 3.168 -10.836 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.081 6.050 -10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.677 4.838 -12.036 1.00 0.00 H new ATOM 270 N SER A 25 -16.365 3.950 -9.842 1.00 0.00 N ATOM 271 CA SER A 25 -17.659 3.858 -9.175 1.00 0.00 C ATOM 272 C SER A 25 -17.780 2.548 -8.402 1.00 0.00 C ATOM 273 O SER A 25 -16.912 1.680 -8.489 1.00 0.00 O ATOM 274 CB SER A 25 -18.792 3.965 -10.198 1.00 0.00 C ATOM 275 OG SER A 25 -18.687 2.953 -11.184 1.00 0.00 O ATOM 0 H SER A 25 -15.867 3.064 -9.920 1.00 0.00 H new ATOM 0 HA SER A 25 -17.736 4.685 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.753 3.884 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.765 4.945 -10.674 1.00 0.00 H new ATOM 0 HG SER A 25 -19.423 3.042 -11.824 1.00 0.00 H new ATOM 281 N ALA A 26 -18.864 2.413 -7.645 1.00 0.00 N ATOM 282 CA ALA A 26 -19.101 1.209 -6.858 1.00 0.00 C ATOM 283 C ALA A 26 -18.895 -0.046 -7.698 1.00 0.00 C ATOM 284 O ALA A 26 -18.052 -0.885 -7.384 1.00 0.00 O ATOM 285 CB ALA A 26 -20.504 1.230 -6.271 1.00 0.00 C ATOM 0 H ALA A 26 -19.592 3.123 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.378 1.190 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.667 0.325 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.616 2.103 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.235 1.277 -7.078 1.00 0.00 H new ATOM 291 N GLY A 27 -19.673 -0.169 -8.770 1.00 0.00 N ATOM 292 CA GLY A 27 -19.561 -1.326 -9.639 1.00 0.00 C ATOM 293 C GLY A 27 -18.126 -1.777 -9.822 1.00 0.00 C ATOM 294 O GLY A 27 -17.790 -2.927 -9.540 1.00 0.00 O ATOM 0 H GLY A 27 -20.378 0.512 -9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.146 -2.146 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.991 -1.089 -10.612 1.00 0.00 H new ATOM 298 N GLN A 28 -17.278 -0.870 -10.297 1.00 0.00 N ATOM 299 CA GLN A 28 -15.872 -1.182 -10.519 1.00 0.00 C ATOM 300 C GLN A 28 -15.259 -1.841 -9.288 1.00 0.00 C ATOM 301 O GLN A 28 -14.770 -2.969 -9.353 1.00 0.00 O ATOM 302 CB GLN A 28 -15.095 0.088 -10.873 1.00 0.00 C ATOM 303 CG GLN A 28 -13.705 -0.183 -11.424 1.00 0.00 C ATOM 304 CD GLN A 28 -13.151 0.988 -12.211 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.885 1.903 -12.584 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.848 0.966 -12.467 1.00 0.00 N ATOM 0 H GLN A 28 -17.541 0.086 -10.535 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.809 -1.882 -11.352 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.663 0.659 -11.608 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.009 0.711 -9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.030 -0.414 -10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.738 -1.064 -12.065 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.277 0.187 -12.139 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.418 1.728 -12.992 1.00 0.00 H new ATOM 315 N PHE A 29 -15.287 -1.129 -8.166 1.00 0.00 N ATOM 316 CA PHE A 29 -14.733 -1.644 -6.919 1.00 0.00 C ATOM 317 C PHE A 29 -15.353 -2.993 -6.565 1.00 0.00 C ATOM 318 O PHE A 29 -14.658 -4.004 -6.482 1.00 0.00 O ATOM 319 CB PHE A 29 -14.968 -0.648 -5.782 1.00 0.00 C ATOM 320 CG PHE A 29 -14.650 -1.204 -4.423 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.361 -1.604 -4.108 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.640 -1.326 -3.462 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.065 -2.115 -2.858 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.349 -1.836 -2.210 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.061 -2.232 -1.909 1.00 0.00 C ATOM 0 H PHE A 29 -15.688 -0.194 -8.095 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.660 -1.781 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.358 0.239 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.010 -0.327 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.579 -1.516 -4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.650 -1.020 -3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.056 -2.422 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.129 -1.925 -1.468 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.833 -2.633 -0.932 1.00 0.00 H new ATOM 335 N GLU A 30 -16.666 -2.998 -6.357 1.00 0.00 N ATOM 336 CA GLU A 30 -17.380 -4.221 -6.010 1.00 0.00 C ATOM 337 C GLU A 30 -16.962 -5.371 -6.921 1.00 0.00 C ATOM 338 O GLU A 30 -16.800 -6.505 -6.472 1.00 0.00 O ATOM 339 CB GLU A 30 -18.891 -4.002 -6.106 1.00 0.00 C ATOM 340 CG GLU A 30 -19.443 -3.083 -5.029 1.00 0.00 C ATOM 341 CD GLU A 30 -20.930 -3.276 -4.803 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.700 -3.149 -5.778 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.323 -3.555 -3.651 1.00 0.00 O ATOM 0 H GLU A 30 -17.257 -2.169 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.124 -4.482 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.127 -3.584 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.394 -4.967 -6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.911 -3.264 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.253 -2.047 -5.309 1.00 0.00 H new ATOM 350 N GLU A 31 -16.792 -5.070 -8.205 1.00 0.00 N ATOM 351 CA GLU A 31 -16.395 -6.078 -9.180 1.00 0.00 C ATOM 352 C GLU A 31 -14.999 -6.613 -8.872 1.00 0.00 C ATOM 353 O GLU A 31 -14.814 -7.813 -8.661 1.00 0.00 O ATOM 354 CB GLU A 31 -16.429 -5.494 -10.594 1.00 0.00 C ATOM 355 CG GLU A 31 -16.673 -6.533 -11.676 1.00 0.00 C ATOM 356 CD GLU A 31 -17.104 -5.915 -12.992 1.00 0.00 C ATOM 357 OE1 GLU A 31 -16.401 -5.004 -13.478 1.00 0.00 O ATOM 358 OE2 GLU A 31 -18.144 -6.342 -13.535 1.00 0.00 O ATOM 0 H GLU A 31 -16.923 -4.136 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.104 -6.904 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.211 -4.737 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.483 -4.990 -10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.762 -7.111 -11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.439 -7.231 -11.338 1.00 0.00 H new ATOM 365 N LEU A 32 -14.020 -5.716 -8.849 1.00 0.00 N ATOM 366 CA LEU A 32 -12.640 -6.096 -8.567 1.00 0.00 C ATOM 367 C LEU A 32 -12.563 -7.000 -7.341 1.00 0.00 C ATOM 368 O LEU A 32 -11.934 -8.058 -7.375 1.00 0.00 O ATOM 369 CB LEU A 32 -11.781 -4.849 -8.351 1.00 0.00 C ATOM 370 CG LEU A 32 -10.284 -5.011 -8.618 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.979 -4.794 -10.092 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.481 -4.045 -7.758 1.00 0.00 C ATOM 0 H LEU A 32 -14.156 -4.720 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.259 -6.648 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.161 -4.055 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.912 -4.516 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.995 -6.028 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.909 -4.913 -10.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.526 -5.525 -10.688 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.283 -3.788 -10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.418 -4.174 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.773 -3.021 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.676 -4.247 -6.705 1.00 0.00 H new ATOM 384 N LEU A 33 -13.210 -6.578 -6.260 1.00 0.00 N ATOM 385 CA LEU A 33 -13.217 -7.350 -5.023 1.00 0.00 C ATOM 386 C LEU A 33 -13.209 -8.847 -5.315 1.00 0.00 C ATOM 387 O LEU A 33 -12.389 -9.590 -4.776 1.00 0.00 O ATOM 388 CB LEU A 33 -14.443 -6.990 -4.181 1.00 0.00 C ATOM 389 CG LEU A 33 -14.262 -5.841 -3.188 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.588 -5.488 -2.533 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.224 -6.205 -2.136 1.00 0.00 C ATOM 0 H LEU A 33 -13.736 -5.705 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.314 -7.103 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.260 -6.735 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.752 -7.877 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.906 -4.967 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.440 -4.669 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.302 -5.185 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.974 -6.358 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.108 -5.376 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.551 -7.093 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.269 -6.407 -2.622 1.00 0.00 H new ATOM 403 N ARG A 34 -14.125 -9.282 -6.174 1.00 0.00 N ATOM 404 CA ARG A 34 -14.222 -10.690 -6.539 1.00 0.00 C ATOM 405 C ARG A 34 -12.901 -11.196 -7.111 1.00 0.00 C ATOM 406 O ARG A 34 -12.274 -12.097 -6.551 1.00 0.00 O ATOM 407 CB ARG A 34 -15.344 -10.899 -7.558 1.00 0.00 C ATOM 408 CG ARG A 34 -16.731 -10.626 -7.000 1.00 0.00 C ATOM 409 CD ARG A 34 -17.797 -11.408 -7.751 1.00 0.00 C ATOM 410 NE ARG A 34 -19.096 -11.343 -7.086 1.00 0.00 N ATOM 411 CZ ARG A 34 -20.132 -12.102 -7.420 1.00 0.00 C ATOM 412 NH1 ARG A 34 -20.023 -12.981 -8.407 1.00 0.00 N ATOM 413 NH2 ARG A 34 -21.281 -11.984 -6.767 1.00 0.00 N ATOM 0 H ARG A 34 -14.810 -8.680 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.449 -11.258 -5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.171 -10.248 -8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.304 -11.925 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.759 -10.893 -5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.947 -9.560 -7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.888 -11.015 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.487 -12.449 -7.840 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.213 -10.677 -6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.141 -13.075 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.821 -13.563 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.369 -11.309 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -22.076 -12.568 -7.025 1.00 0.00 H new ATOM 427 N LEU A 35 -12.484 -10.612 -8.229 1.00 0.00 N ATOM 428 CA LEU A 35 -11.237 -11.003 -8.878 1.00 0.00 C ATOM 429 C LEU A 35 -10.084 -11.017 -7.879 1.00 0.00 C ATOM 430 O LEU A 35 -9.379 -12.017 -7.742 1.00 0.00 O ATOM 431 CB LEU A 35 -10.917 -10.049 -10.030 1.00 0.00 C ATOM 432 CG LEU A 35 -11.888 -10.073 -11.211 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.749 -8.807 -12.042 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.651 -11.307 -12.070 1.00 0.00 C ATOM 0 H LEU A 35 -12.991 -9.866 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.363 -12.011 -9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.882 -9.034 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.919 -10.282 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.905 -10.116 -10.821 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.448 -8.842 -12.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.969 -7.938 -11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.731 -8.732 -12.423 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.351 -11.308 -12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.630 -11.294 -12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.803 -12.203 -11.469 1.00 0.00 H new ATOM 446 N LYS A 36 -9.900 -9.902 -7.181 1.00 0.00 N ATOM 447 CA LYS A 36 -8.836 -9.786 -6.191 1.00 0.00 C ATOM 448 C LYS A 36 -9.322 -10.229 -4.814 1.00 0.00 C ATOM 449 O LYS A 36 -9.022 -9.591 -3.805 1.00 0.00 O ATOM 450 CB LYS A 36 -8.328 -8.344 -6.125 1.00 0.00 C ATOM 451 CG LYS A 36 -7.878 -7.795 -7.467 1.00 0.00 C ATOM 452 CD LYS A 36 -6.620 -8.490 -7.961 1.00 0.00 C ATOM 453 CE LYS A 36 -6.268 -8.065 -9.378 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.339 -9.028 -10.031 1.00 0.00 N ATOM 0 H LYS A 36 -10.474 -9.065 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.018 -10.439 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.119 -7.707 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.495 -8.293 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.676 -7.922 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.693 -6.724 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.790 -8.259 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.763 -9.570 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.180 -7.982 -9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.810 -7.076 -9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.123 -8.703 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.459 -9.088 -9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.785 -9.966 -10.074 1.00 0.00 H new ATOM 468 N ALA A 37 -10.073 -11.324 -4.781 1.00 0.00 N ATOM 469 CA ALA A 37 -10.597 -11.854 -3.529 1.00 0.00 C ATOM 470 C ALA A 37 -9.507 -12.566 -2.735 1.00 0.00 C ATOM 471 O ALA A 37 -9.266 -12.250 -1.570 1.00 0.00 O ATOM 472 CB ALA A 37 -11.758 -12.799 -3.800 1.00 0.00 C ATOM 0 H ALA A 37 -10.332 -11.862 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.957 -11.016 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.139 -13.187 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.552 -12.261 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.416 -13.627 -4.421 1.00 0.00 H new ATOM 478 N LYS A 38 -8.851 -13.530 -3.372 1.00 0.00 N ATOM 479 CA LYS A 38 -7.786 -14.288 -2.727 1.00 0.00 C ATOM 480 C LYS A 38 -6.626 -13.375 -2.342 1.00 0.00 C ATOM 481 O LYS A 38 -6.082 -13.477 -1.242 1.00 0.00 O ATOM 482 CB LYS A 38 -7.289 -15.399 -3.654 1.00 0.00 C ATOM 483 CG LYS A 38 -8.371 -16.387 -4.053 1.00 0.00 C ATOM 484 CD LYS A 38 -7.799 -17.550 -4.846 1.00 0.00 C ATOM 485 CE LYS A 38 -7.601 -17.183 -6.309 1.00 0.00 C ATOM 486 NZ LYS A 38 -6.270 -16.560 -6.549 1.00 0.00 N ATOM 0 H LYS A 38 -9.039 -13.805 -4.336 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.190 -14.735 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.869 -14.949 -4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.480 -15.938 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.868 -16.764 -3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.129 -15.877 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.845 -17.853 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.469 -18.407 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.700 -18.077 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.386 -16.494 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.398 -15.623 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.766 -16.459 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.715 -17.163 -7.189 1.00 0.00 H new ATOM 500 N SER A 39 -6.252 -12.484 -3.254 1.00 0.00 N ATOM 501 CA SER A 39 -5.154 -11.555 -3.011 1.00 0.00 C ATOM 502 C SER A 39 -5.566 -10.478 -2.011 1.00 0.00 C ATOM 503 O SER A 39 -6.698 -10.463 -1.528 1.00 0.00 O ATOM 504 CB SER A 39 -4.707 -10.906 -4.322 1.00 0.00 C ATOM 505 OG SER A 39 -3.347 -10.512 -4.259 1.00 0.00 O ATOM 0 H SER A 39 -6.693 -12.385 -4.168 1.00 0.00 H new ATOM 0 HA SER A 39 -4.320 -12.118 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.848 -11.607 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.331 -10.037 -4.533 1.00 0.00 H new ATOM 0 HG SER A 39 -3.207 -9.728 -4.830 1.00 0.00 H new ATOM 511 N LEU A 40 -4.637 -9.579 -1.706 1.00 0.00 N ATOM 512 CA LEU A 40 -4.901 -8.497 -0.763 1.00 0.00 C ATOM 513 C LEU A 40 -5.233 -7.202 -1.499 1.00 0.00 C ATOM 514 O LEU A 40 -4.537 -6.813 -2.438 1.00 0.00 O ATOM 515 CB LEU A 40 -3.693 -8.282 0.149 1.00 0.00 C ATOM 516 CG LEU A 40 -3.666 -6.968 0.930 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.698 -6.988 2.046 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.275 -6.710 1.492 1.00 0.00 C ATOM 0 H LEU A 40 -3.695 -9.577 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.761 -8.780 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.650 -9.106 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.790 -8.339 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.917 -6.157 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.664 -6.044 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.692 -7.125 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.480 -7.809 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.274 -5.771 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.996 -7.525 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.557 -6.650 0.674 1.00 0.00 H new ATOM 530 N LEU A 41 -6.299 -6.538 -1.067 1.00 0.00 N ATOM 531 CA LEU A 41 -6.722 -5.285 -1.683 1.00 0.00 C ATOM 532 C LEU A 41 -6.537 -4.116 -0.721 1.00 0.00 C ATOM 533 O LEU A 41 -6.749 -4.250 0.484 1.00 0.00 O ATOM 534 CB LEU A 41 -8.186 -5.377 -2.117 1.00 0.00 C ATOM 535 CG LEU A 41 -8.646 -4.344 -3.147 1.00 0.00 C ATOM 536 CD1 LEU A 41 -7.900 -4.530 -4.459 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.149 -4.443 -3.366 1.00 0.00 C ATOM 0 H LEU A 41 -6.887 -6.846 -0.292 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.099 -5.111 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.361 -6.372 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.814 -5.282 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.420 -3.349 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.240 -3.786 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.830 -4.408 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.094 -5.529 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.459 -3.701 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.399 -5.440 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.667 -4.259 -2.425 1.00 0.00 H new ATOM 549 N VAL A 42 -6.143 -2.968 -1.262 1.00 0.00 N ATOM 550 CA VAL A 42 -5.933 -1.773 -0.453 1.00 0.00 C ATOM 551 C VAL A 42 -6.695 -0.582 -1.024 1.00 0.00 C ATOM 552 O VAL A 42 -6.296 -0.002 -2.034 1.00 0.00 O ATOM 553 CB VAL A 42 -4.438 -1.415 -0.359 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.246 -0.129 0.431 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.656 -2.558 0.269 1.00 0.00 C ATOM 0 H VAL A 42 -5.963 -2.840 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.309 -1.996 0.545 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.056 -1.254 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.184 0.108 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.774 0.685 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.643 -0.258 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.602 -2.288 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.037 -2.752 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.768 -3.454 -0.342 1.00 0.00 H new ATOM 565 N VAL A 43 -7.795 -0.222 -0.370 1.00 0.00 N ATOM 566 CA VAL A 43 -8.613 0.902 -0.811 1.00 0.00 C ATOM 567 C VAL A 43 -8.319 2.151 0.012 1.00 0.00 C ATOM 568 O VAL A 43 -8.726 2.256 1.170 1.00 0.00 O ATOM 569 CB VAL A 43 -10.115 0.576 -0.711 1.00 0.00 C ATOM 570 CG1 VAL A 43 -10.951 1.787 -1.096 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.459 -0.620 -1.585 1.00 0.00 C ATOM 0 H VAL A 43 -8.140 -0.692 0.467 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.358 1.089 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.346 0.320 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.009 1.538 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.724 2.615 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.720 2.078 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.524 -0.837 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.214 -0.395 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.886 -1.487 -1.257 1.00 0.00 H new ATOM 581 N HIS A 44 -7.611 3.099 -0.594 1.00 0.00 N ATOM 582 CA HIS A 44 -7.263 4.344 0.083 1.00 0.00 C ATOM 583 C HIS A 44 -8.277 5.437 -0.237 1.00 0.00 C ATOM 584 O HIS A 44 -8.731 5.564 -1.374 1.00 0.00 O ATOM 585 CB HIS A 44 -5.861 4.797 -0.326 1.00 0.00 C ATOM 586 CG HIS A 44 -5.570 6.226 0.016 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.069 7.131 -0.896 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.714 6.905 1.178 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.915 8.304 -0.309 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.300 8.194 0.950 1.00 0.00 N ATOM 0 H HIS A 44 -7.267 3.029 -1.552 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.278 4.162 1.158 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.125 4.158 0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.742 4.658 -1.400 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.851 6.926 -1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.085 6.507 2.111 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.538 9.201 -0.778 1.00 0.00 H new ATOM 599 N PHE A 45 -8.630 6.225 0.774 1.00 0.00 N ATOM 600 CA PHE A 45 -9.592 7.307 0.601 1.00 0.00 C ATOM 601 C PHE A 45 -8.881 8.647 0.439 1.00 0.00 C ATOM 602 O PHE A 45 -8.404 9.230 1.412 1.00 0.00 O ATOM 603 CB PHE A 45 -10.547 7.365 1.795 1.00 0.00 C ATOM 604 CG PHE A 45 -11.780 6.526 1.618 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.767 5.176 1.929 1.00 0.00 C ATOM 606 CD2 PHE A 45 -12.953 7.088 1.141 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.900 4.401 1.767 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.090 6.319 0.978 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.063 4.974 1.290 1.00 0.00 C ATOM 0 H PHE A 45 -8.264 6.134 1.722 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.165 7.108 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.018 7.035 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.843 8.400 1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.860 4.724 2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.979 8.139 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.876 3.350 2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -14.999 6.770 0.607 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.950 4.371 1.161 1.00 0.00 H new ATOM 619 N TRP A 46 -8.814 9.128 -0.798 1.00 0.00 N ATOM 620 CA TRP A 46 -8.160 10.399 -1.088 1.00 0.00 C ATOM 621 C TRP A 46 -9.186 11.471 -1.440 1.00 0.00 C ATOM 622 O TRP A 46 -10.124 11.221 -2.196 1.00 0.00 O ATOM 623 CB TRP A 46 -7.164 10.232 -2.237 1.00 0.00 C ATOM 624 CG TRP A 46 -7.821 10.064 -3.574 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.249 8.896 -4.136 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.124 11.099 -4.516 1.00 0.00 C ATOM 627 NE1 TRP A 46 -8.799 9.141 -5.370 1.00 0.00 N ATOM 628 CE2 TRP A 46 -8.735 10.485 -5.627 1.00 0.00 C ATOM 629 CE3 TRP A 46 -7.940 12.484 -4.529 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.161 11.210 -6.736 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.362 13.202 -5.631 1.00 0.00 C ATOM 632 CH2 TRP A 46 -8.968 12.565 -6.722 1.00 0.00 C ATOM 0 H TRP A 46 -9.204 8.658 -1.615 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.623 10.716 -0.194 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.508 11.102 -2.269 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.534 9.365 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.167 7.922 -3.677 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.192 8.436 -5.994 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.476 12.984 -3.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -9.628 10.721 -7.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.222 14.273 -5.652 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.289 13.154 -7.568 1.00 0.00 H new ATOM 643 N ALA A 47 -9.001 12.664 -0.886 1.00 0.00 N ATOM 644 CA ALA A 47 -9.910 13.775 -1.143 1.00 0.00 C ATOM 645 C ALA A 47 -9.216 14.881 -1.931 1.00 0.00 C ATOM 646 O ALA A 47 -8.058 15.219 -1.685 1.00 0.00 O ATOM 647 CB ALA A 47 -10.458 14.322 0.166 1.00 0.00 C ATOM 0 H ALA A 47 -8.230 12.887 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.739 13.402 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.135 15.151 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.998 13.535 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.634 14.673 0.787 1.00 0.00 H new ATOM 653 N PRO A 48 -9.938 15.458 -2.903 1.00 0.00 N ATOM 654 CA PRO A 48 -9.411 16.534 -3.747 1.00 0.00 C ATOM 655 C PRO A 48 -9.225 17.837 -2.977 1.00 0.00 C ATOM 656 O PRO A 48 -8.828 18.854 -3.546 1.00 0.00 O ATOM 657 CB PRO A 48 -10.486 16.699 -4.824 1.00 0.00 C ATOM 658 CG PRO A 48 -11.740 16.207 -4.186 1.00 0.00 C ATOM 659 CD PRO A 48 -11.324 15.105 -3.252 1.00 0.00 C ATOM 0 HA PRO A 48 -8.424 16.295 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.581 17.740 -5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.244 16.123 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.243 17.008 -3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.441 15.840 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.962 15.064 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.381 14.128 -3.732 1.00 0.00 H new ATOM 667 N TRP A 49 -9.514 17.799 -1.681 1.00 0.00 N ATOM 668 CA TRP A 49 -9.378 18.978 -0.833 1.00 0.00 C ATOM 669 C TRP A 49 -8.346 18.742 0.265 1.00 0.00 C ATOM 670 O TRP A 49 -7.414 19.527 0.431 1.00 0.00 O ATOM 671 CB TRP A 49 -10.727 19.343 -0.212 1.00 0.00 C ATOM 672 CG TRP A 49 -11.505 18.152 0.261 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.410 17.426 -0.460 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.449 17.552 1.559 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.919 16.410 0.313 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.345 16.466 1.555 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.727 17.826 2.724 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.537 15.656 2.672 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -10.919 17.021 3.831 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.818 15.947 3.799 1.00 0.00 C ATOM 0 H TRP A 49 -9.844 16.965 -1.195 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.037 19.805 -1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.562 20.017 0.628 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.321 19.888 -0.946 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.685 17.622 -1.486 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.612 15.725 0.011 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.032 18.652 2.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.229 14.827 2.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.366 17.223 4.737 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.946 15.337 4.681 1.00 0.00 H new ATOM 691 N ALA A 50 -8.520 17.656 1.011 1.00 0.00 N ATOM 692 CA ALA A 50 -7.602 17.316 2.091 1.00 0.00 C ATOM 693 C ALA A 50 -6.160 17.284 1.596 1.00 0.00 C ATOM 694 O ALA A 50 -5.802 16.514 0.704 1.00 0.00 O ATOM 695 CB ALA A 50 -7.982 15.977 2.705 1.00 0.00 C ATOM 0 H ALA A 50 -9.288 16.997 0.887 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.678 18.088 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.288 15.736 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.995 16.034 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.936 15.200 1.941 1.00 0.00 H new ATOM 701 N PRO A 51 -5.311 18.138 2.187 1.00 0.00 N ATOM 702 CA PRO A 51 -3.894 18.226 1.821 1.00 0.00 C ATOM 703 C PRO A 51 -3.107 16.993 2.252 1.00 0.00 C ATOM 704 O PRO A 51 -1.916 16.875 1.966 1.00 0.00 O ATOM 705 CB PRO A 51 -3.408 19.463 2.581 1.00 0.00 C ATOM 706 CG PRO A 51 -4.336 19.585 3.740 1.00 0.00 C ATOM 707 CD PRO A 51 -5.669 19.084 3.257 1.00 0.00 C ATOM 0 HA PRO A 51 -3.755 18.290 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.376 19.345 2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.441 20.353 1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.982 18.998 4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.406 20.619 4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.228 18.595 4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.292 19.896 2.883 1.00 0.00 H new ATOM 715 N GLN A 52 -3.781 16.077 2.940 1.00 0.00 N ATOM 716 CA GLN A 52 -3.143 14.853 3.410 1.00 0.00 C ATOM 717 C GLN A 52 -2.905 13.885 2.255 1.00 0.00 C ATOM 718 O GLN A 52 -1.764 13.530 1.954 1.00 0.00 O ATOM 719 CB GLN A 52 -4.004 14.183 4.482 1.00 0.00 C ATOM 720 CG GLN A 52 -4.069 14.964 5.785 1.00 0.00 C ATOM 721 CD GLN A 52 -5.160 14.464 6.711 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.770 13.720 7.739 1.00 0.00 O flip ATOM 723 NE2 GLN A 52 -6.341 14.744 6.505 1.00 0.00 N flip ATOM 0 H GLN A 52 -4.768 16.159 3.184 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.178 15.119 3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.015 14.052 4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.609 13.187 4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.107 14.896 6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.240 16.018 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.596 15.319 5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.064 14.401 7.137 1.00 0.00 H new ATOM 732 N CYS A 53 -3.987 13.462 1.612 1.00 0.00 N ATOM 733 CA CYS A 53 -3.896 12.534 0.490 1.00 0.00 C ATOM 734 C CYS A 53 -2.653 12.813 -0.347 1.00 0.00 C ATOM 735 O CYS A 53 -2.072 11.903 -0.938 1.00 0.00 O ATOM 736 CB CYS A 53 -5.147 12.633 -0.384 1.00 0.00 C ATOM 737 SG CYS A 53 -5.403 14.263 -1.124 1.00 0.00 S ATOM 0 H CYS A 53 -4.938 13.747 1.848 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.822 11.524 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.081 11.891 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.019 12.378 0.218 1.00 0.00 H new ATOM 0 HG CYS A 53 -6.648 14.389 -1.477 1.00 0.00 H new ATOM 743 N ALA A 54 -2.250 14.079 -0.395 1.00 0.00 N ATOM 744 CA ALA A 54 -1.075 14.478 -1.160 1.00 0.00 C ATOM 745 C ALA A 54 0.041 13.448 -1.030 1.00 0.00 C ATOM 746 O ALA A 54 0.357 12.739 -1.985 1.00 0.00 O ATOM 747 CB ALA A 54 -0.589 15.846 -0.704 1.00 0.00 C ATOM 0 H ALA A 54 -2.720 14.845 0.087 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.359 14.536 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.289 16.132 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.379 16.582 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.328 15.806 0.354 1.00 0.00 H new ATOM 753 N GLN A 55 0.634 13.371 0.157 1.00 0.00 N ATOM 754 CA GLN A 55 1.717 12.427 0.410 1.00 0.00 C ATOM 755 C GLN A 55 1.214 10.990 0.336 1.00 0.00 C ATOM 756 O GLN A 55 1.768 10.164 -0.388 1.00 0.00 O ATOM 757 CB GLN A 55 2.342 12.692 1.781 1.00 0.00 C ATOM 758 CG GLN A 55 1.335 12.693 2.919 1.00 0.00 C ATOM 759 CD GLN A 55 1.926 13.197 4.221 1.00 0.00 C ATOM 760 OE1 GLN A 55 3.239 13.060 4.368 1.00 0.00 O flip ATOM 761 NE2 GLN A 55 1.211 13.705 5.085 1.00 0.00 N flip ATOM 0 H GLN A 55 0.383 13.950 0.958 1.00 0.00 H new ATOM 0 HA GLN A 55 2.475 12.567 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.100 11.934 1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.853 13.655 1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.484 13.317 2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.956 11.682 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.206 13.790 4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.623 14.040 5.956 1.00 0.00 H new ATOM 770 N MET A 56 0.160 10.697 1.092 1.00 0.00 N ATOM 771 CA MET A 56 -0.418 9.358 1.111 1.00 0.00 C ATOM 772 C MET A 56 -0.455 8.762 -0.292 1.00 0.00 C ATOM 773 O MET A 56 -0.304 7.553 -0.467 1.00 0.00 O ATOM 774 CB MET A 56 -1.830 9.398 1.698 1.00 0.00 C ATOM 775 CG MET A 56 -1.904 10.070 3.060 1.00 0.00 C ATOM 776 SD MET A 56 -0.436 9.769 4.063 1.00 0.00 S ATOM 777 CE MET A 56 -0.307 7.987 3.949 1.00 0.00 C ATOM 0 H MET A 56 -0.311 11.368 1.699 1.00 0.00 H new ATOM 0 HA MET A 56 0.211 8.726 1.738 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.487 9.925 1.006 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.208 8.379 1.784 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.033 11.144 2.925 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.784 9.708 3.592 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.651 7.537 4.880 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.923 7.630 3.124 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.732 7.708 3.773 1.00 0.00 H new ATOM 787 N ASN A 57 -0.656 9.617 -1.289 1.00 0.00 N ATOM 788 CA ASN A 57 -0.713 9.174 -2.677 1.00 0.00 C ATOM 789 C ASN A 57 0.643 8.647 -3.136 1.00 0.00 C ATOM 790 O ASN A 57 0.800 7.456 -3.400 1.00 0.00 O ATOM 791 CB ASN A 57 -1.160 10.323 -3.584 1.00 0.00 C ATOM 792 CG ASN A 57 -1.042 9.977 -5.056 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.022 8.804 -5.430 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.963 11.000 -5.899 1.00 0.00 N ATOM 0 H ASN A 57 -0.782 10.621 -1.162 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.439 8.364 -2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.194 10.581 -3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.557 11.206 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.882 10.830 -6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.983 11.956 -5.544 1.00 0.00 H new ATOM 801 N GLU A 58 1.620 9.545 -3.229 1.00 0.00 N ATOM 802 CA GLU A 58 2.963 9.170 -3.657 1.00 0.00 C ATOM 803 C GLU A 58 3.447 7.932 -2.907 1.00 0.00 C ATOM 804 O GLU A 58 4.143 7.085 -3.468 1.00 0.00 O ATOM 805 CB GLU A 58 3.936 10.329 -3.431 1.00 0.00 C ATOM 806 CG GLU A 58 4.120 10.693 -1.967 1.00 0.00 C ATOM 807 CD GLU A 58 5.387 11.487 -1.719 1.00 0.00 C ATOM 808 OE1 GLU A 58 6.354 11.319 -2.492 1.00 0.00 O ATOM 809 OE2 GLU A 58 5.413 12.277 -0.752 1.00 0.00 O ATOM 0 H GLU A 58 1.507 10.536 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 58 2.926 8.938 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.905 10.067 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.577 11.204 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.261 11.272 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.144 9.781 -1.370 1.00 0.00 H new ATOM 816 N VAL A 59 3.073 7.834 -1.635 1.00 0.00 N ATOM 817 CA VAL A 59 3.468 6.700 -0.807 1.00 0.00 C ATOM 818 C VAL A 59 2.951 5.389 -1.389 1.00 0.00 C ATOM 819 O VAL A 59 3.649 4.376 -1.378 1.00 0.00 O ATOM 820 CB VAL A 59 2.948 6.850 0.635 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.326 5.635 1.468 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.484 8.126 1.264 1.00 0.00 C ATOM 0 H VAL A 59 2.497 8.526 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 59 4.558 6.683 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 59 1.860 6.916 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.950 5.759 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.888 4.740 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.411 5.534 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.107 8.216 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.573 8.093 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.157 8.985 0.679 1.00 0.00 H new ATOM 832 N MET A 60 1.723 5.417 -1.897 1.00 0.00 N ATOM 833 CA MET A 60 1.113 4.230 -2.485 1.00 0.00 C ATOM 834 C MET A 60 1.852 3.809 -3.751 1.00 0.00 C ATOM 835 O MET A 60 2.373 2.697 -3.837 1.00 0.00 O ATOM 836 CB MET A 60 -0.360 4.492 -2.804 1.00 0.00 C ATOM 837 CG MET A 60 -1.242 4.583 -1.569 1.00 0.00 C ATOM 838 SD MET A 60 -2.875 5.257 -1.931 1.00 0.00 S ATOM 839 CE MET A 60 -3.506 4.025 -3.068 1.00 0.00 C ATOM 0 H MET A 60 1.131 6.248 -1.913 1.00 0.00 H new ATOM 0 HA MET A 60 1.182 3.420 -1.759 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.442 5.421 -3.368 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.731 3.695 -3.448 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.351 3.591 -1.131 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.752 5.208 -0.823 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.914 4.519 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.698 3.358 -3.367 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.291 3.448 -2.580 1.00 0.00 H new ATOM 849 N ALA A 61 1.894 4.705 -4.732 1.00 0.00 N ATOM 850 CA ALA A 61 2.571 4.427 -5.992 1.00 0.00 C ATOM 851 C ALA A 61 3.871 3.663 -5.761 1.00 0.00 C ATOM 852 O ALA A 61 4.207 2.751 -6.514 1.00 0.00 O ATOM 853 CB ALA A 61 2.845 5.723 -6.742 1.00 0.00 C ATOM 0 H ALA A 61 1.467 5.630 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 61 1.915 3.801 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.351 5.500 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.902 6.230 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.478 6.369 -6.133 1.00 0.00 H new ATOM 859 N GLU A 62 4.597 4.043 -4.714 1.00 0.00 N ATOM 860 CA GLU A 62 5.860 3.394 -4.385 1.00 0.00 C ATOM 861 C GLU A 62 5.624 1.985 -3.847 1.00 0.00 C ATOM 862 O GLU A 62 6.387 1.062 -4.135 1.00 0.00 O ATOM 863 CB GLU A 62 6.632 4.222 -3.356 1.00 0.00 C ATOM 864 CG GLU A 62 7.276 5.469 -3.938 1.00 0.00 C ATOM 865 CD GLU A 62 8.198 6.163 -2.954 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.307 5.643 -2.711 1.00 0.00 O ATOM 867 OE2 GLU A 62 7.810 7.227 -2.427 1.00 0.00 O ATOM 0 H GLU A 62 4.332 4.797 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 62 6.450 3.321 -5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.954 4.514 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.406 3.599 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.840 5.199 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.496 6.163 -4.252 1.00 0.00 H new ATOM 874 N LEU A 63 4.563 1.828 -3.063 1.00 0.00 N ATOM 875 CA LEU A 63 4.226 0.533 -2.483 1.00 0.00 C ATOM 876 C LEU A 63 3.732 -0.432 -3.556 1.00 0.00 C ATOM 877 O LEU A 63 4.205 -1.565 -3.651 1.00 0.00 O ATOM 878 CB LEU A 63 3.158 0.699 -1.401 1.00 0.00 C ATOM 879 CG LEU A 63 3.650 1.202 -0.043 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.475 1.568 0.849 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.526 0.153 0.628 1.00 0.00 C ATOM 0 H LEU A 63 3.922 2.581 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 63 5.128 0.118 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.401 1.391 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.666 -0.263 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 63 4.249 2.098 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.845 1.924 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.888 2.353 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.848 0.690 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.867 0.527 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.951 -0.761 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.388 -0.060 -0.004 1.00 0.00 H new ATOM 893 N ALA A 64 2.782 0.025 -4.364 1.00 0.00 N ATOM 894 CA ALA A 64 2.227 -0.796 -5.433 1.00 0.00 C ATOM 895 C ALA A 64 3.334 -1.479 -6.230 1.00 0.00 C ATOM 896 O ALA A 64 3.293 -2.688 -6.459 1.00 0.00 O ATOM 897 CB ALA A 64 1.358 0.050 -6.352 1.00 0.00 C ATOM 0 H ALA A 64 2.380 0.960 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 64 1.609 -1.571 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.950 -0.576 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.541 0.487 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.960 0.846 -6.791 1.00 0.00 H new ATOM 903 N LYS A 65 4.322 -0.698 -6.652 1.00 0.00 N ATOM 904 CA LYS A 65 5.440 -1.226 -7.423 1.00 0.00 C ATOM 905 C LYS A 65 6.269 -2.195 -6.586 1.00 0.00 C ATOM 906 O LYS A 65 6.599 -3.292 -7.036 1.00 0.00 O ATOM 907 CB LYS A 65 6.326 -0.083 -7.925 1.00 0.00 C ATOM 908 CG LYS A 65 6.854 0.809 -6.816 1.00 0.00 C ATOM 909 CD LYS A 65 7.740 1.915 -7.364 1.00 0.00 C ATOM 910 CE LYS A 65 6.922 2.995 -8.055 1.00 0.00 C ATOM 911 NZ LYS A 65 7.779 4.100 -8.565 1.00 0.00 N ATOM 0 H LYS A 65 4.371 0.305 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 65 5.035 -1.766 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.169 -0.502 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.757 0.525 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.018 1.248 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.419 0.209 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.316 2.358 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.456 1.493 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.366 2.555 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.188 3.397 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.183 4.815 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.291 4.537 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.463 3.721 -9.251 1.00 0.00 H new ATOM 925 N GLU A 66 6.601 -1.783 -5.366 1.00 0.00 N ATOM 926 CA GLU A 66 7.390 -2.616 -4.467 1.00 0.00 C ATOM 927 C GLU A 66 6.749 -3.990 -4.296 1.00 0.00 C ATOM 928 O GLU A 66 7.426 -5.017 -4.369 1.00 0.00 O ATOM 929 CB GLU A 66 7.538 -1.937 -3.104 1.00 0.00 C ATOM 930 CG GLU A 66 8.208 -2.811 -2.058 1.00 0.00 C ATOM 931 CD GLU A 66 9.637 -3.165 -2.421 1.00 0.00 C ATOM 932 OE1 GLU A 66 9.838 -3.836 -3.455 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.555 -2.769 -1.672 1.00 0.00 O ATOM 0 H GLU A 66 6.336 -0.878 -4.978 1.00 0.00 H new ATOM 0 HA GLU A 66 8.378 -2.747 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.117 -1.021 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.551 -1.645 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.198 -2.294 -1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.631 -3.727 -1.932 1.00 0.00 H new ATOM 940 N LEU A 67 5.441 -4.002 -4.066 1.00 0.00 N ATOM 941 CA LEU A 67 4.707 -5.249 -3.884 1.00 0.00 C ATOM 942 C LEU A 67 3.632 -5.411 -4.954 1.00 0.00 C ATOM 943 O LEU A 67 2.512 -4.918 -4.823 1.00 0.00 O ATOM 944 CB LEU A 67 4.069 -5.290 -2.494 1.00 0.00 C ATOM 945 CG LEU A 67 5.002 -5.000 -1.318 1.00 0.00 C ATOM 946 CD1 LEU A 67 4.216 -4.460 -0.133 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.770 -6.253 -0.925 1.00 0.00 C ATOM 0 H LEU A 67 4.867 -3.162 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 67 5.413 -6.074 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.252 -4.569 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.628 -6.276 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 67 5.720 -4.240 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.897 -4.260 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.713 -3.537 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.474 -5.196 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.429 -6.028 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.068 -7.034 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.365 -6.596 -1.772 1.00 0.00 H new ATOM 959 N PRO A 68 3.979 -6.119 -6.039 1.00 0.00 N ATOM 960 CA PRO A 68 3.058 -6.364 -7.152 1.00 0.00 C ATOM 961 C PRO A 68 1.929 -7.316 -6.771 1.00 0.00 C ATOM 962 O PRO A 68 0.841 -7.262 -7.343 1.00 0.00 O ATOM 963 CB PRO A 68 3.952 -6.997 -8.221 1.00 0.00 C ATOM 964 CG PRO A 68 5.072 -7.618 -7.459 1.00 0.00 C ATOM 965 CD PRO A 68 5.298 -6.735 -6.263 1.00 0.00 C ATOM 0 HA PRO A 68 2.562 -5.450 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.408 -7.742 -8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.318 -6.249 -8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.820 -8.633 -7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.971 -7.684 -8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.626 -7.309 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.064 -5.984 -6.457 1.00 0.00 H new ATOM 973 N GLN A 69 2.196 -8.186 -5.802 1.00 0.00 N ATOM 974 CA GLN A 69 1.202 -9.149 -5.346 1.00 0.00 C ATOM 975 C GLN A 69 -0.020 -8.440 -4.770 1.00 0.00 C ATOM 976 O GLN A 69 -1.146 -8.920 -4.897 1.00 0.00 O ATOM 977 CB GLN A 69 1.808 -10.081 -4.294 1.00 0.00 C ATOM 978 CG GLN A 69 2.135 -9.386 -2.983 1.00 0.00 C ATOM 979 CD GLN A 69 2.408 -10.363 -1.856 1.00 0.00 C ATOM 980 OE1 GLN A 69 1.505 -10.727 -1.102 1.00 0.00 O ATOM 981 NE2 GLN A 69 3.658 -10.795 -1.737 1.00 0.00 N ATOM 0 H GLN A 69 3.092 -8.243 -5.318 1.00 0.00 H new ATOM 0 HA GLN A 69 0.885 -9.740 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.112 -10.897 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.718 -10.527 -4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.006 -8.746 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.305 -8.737 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.375 -10.467 -2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.901 -11.455 -0.998 1.00 0.00 H new ATOM 990 N VAL A 70 0.211 -7.295 -4.137 1.00 0.00 N ATOM 991 CA VAL A 70 -0.870 -6.519 -3.542 1.00 0.00 C ATOM 992 C VAL A 70 -1.603 -5.698 -4.597 1.00 0.00 C ATOM 993 O VAL A 70 -1.032 -5.345 -5.630 1.00 0.00 O ATOM 994 CB VAL A 70 -0.345 -5.573 -2.445 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.495 -4.821 -1.793 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.450 -6.351 -1.408 1.00 0.00 C ATOM 0 H VAL A 70 1.137 -6.884 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.562 -7.233 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 70 0.320 -4.842 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.105 -4.158 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.018 -4.232 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.187 -5.533 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.814 -5.668 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.190 -7.105 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.297 -6.839 -1.890 1.00 0.00 H new ATOM 1006 N SER A 71 -2.870 -5.396 -4.331 1.00 0.00 N ATOM 1007 CA SER A 71 -3.682 -4.619 -5.260 1.00 0.00 C ATOM 1008 C SER A 71 -4.098 -3.291 -4.636 1.00 0.00 C ATOM 1009 O SER A 71 -5.022 -3.235 -3.824 1.00 0.00 O ATOM 1010 CB SER A 71 -4.923 -5.413 -5.672 1.00 0.00 C ATOM 1011 OG SER A 71 -4.571 -6.533 -6.466 1.00 0.00 O ATOM 0 H SER A 71 -3.356 -5.678 -3.480 1.00 0.00 H new ATOM 0 HA SER A 71 -3.081 -4.412 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.457 -5.747 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.603 -4.768 -6.228 1.00 0.00 H new ATOM 0 HG SER A 71 -4.722 -6.324 -7.411 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.410 -2.221 -5.022 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.707 -0.892 -4.501 1.00 0.00 C ATOM 1019 C PHE A 72 -4.720 -0.174 -5.388 1.00 0.00 C ATOM 1020 O PHE A 72 -4.531 -0.059 -6.599 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.424 -0.064 -4.399 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.439 -0.604 -3.402 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.597 -1.652 -3.739 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.355 -0.065 -2.128 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.310 -2.151 -2.823 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.450 -0.560 -1.209 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.384 -1.604 -1.557 1.00 0.00 C ATOM 0 H PHE A 72 -2.643 -2.249 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.138 -1.006 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.950 -0.021 -5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.682 0.959 -4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.650 -2.083 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.005 0.752 -1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.961 -2.968 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.395 -0.131 -0.219 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.093 -1.992 -0.841 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.797 0.307 -4.776 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.841 1.015 -5.508 1.00 0.00 C ATOM 1039 C VAL A 73 -7.272 2.276 -4.768 1.00 0.00 C ATOM 1040 O VAL A 73 -7.697 2.218 -3.614 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.073 0.119 -5.734 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.736 -1.022 -6.683 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.594 -0.415 -4.409 1.00 0.00 C ATOM 0 H VAL A 73 -5.970 0.219 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.419 1.291 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.859 0.720 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.618 -1.645 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.414 -0.615 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.934 -1.625 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.465 -1.046 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.815 -1.001 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.876 0.419 -3.766 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.161 3.417 -5.440 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.541 4.694 -4.849 1.00 0.00 C ATOM 1055 C LYS A 74 -8.940 5.106 -5.296 1.00 0.00 C ATOM 1056 O LYS A 74 -9.260 5.068 -6.485 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.532 5.778 -5.234 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.421 6.002 -6.733 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.043 6.511 -7.120 1.00 0.00 C ATOM 1060 CE LYS A 74 -4.919 8.010 -6.894 1.00 0.00 C ATOM 1061 NZ LYS A 74 -3.551 8.507 -7.208 1.00 0.00 N ATOM 0 H LYS A 74 -6.810 3.483 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.544 4.577 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.818 6.715 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.552 5.506 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.626 5.069 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.178 6.719 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.284 5.990 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.851 6.283 -8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.647 8.532 -7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.160 8.242 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.608 9.486 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.965 8.476 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.123 7.906 -7.941 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.771 5.499 -4.336 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.136 5.920 -4.631 1.00 0.00 C ATOM 1077 C LEU A 75 -11.425 7.291 -4.030 1.00 0.00 C ATOM 1078 O LEU A 75 -11.269 7.497 -2.827 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.134 4.893 -4.093 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.566 5.391 -3.891 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.525 4.218 -3.760 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -13.650 6.291 -2.666 1.00 0.00 C ATOM 0 H LEU A 75 -9.523 5.535 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.243 5.989 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.158 4.046 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.762 4.520 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.855 5.974 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.539 4.591 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.486 3.613 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.239 3.608 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.676 6.636 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.342 5.732 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.992 7.150 -2.800 1.00 0.00 H new ATOM 1094 N GLU A 76 -11.850 8.225 -4.876 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.162 9.576 -4.426 1.00 0.00 C ATOM 1096 C GLU A 76 -13.432 9.588 -3.580 1.00 0.00 C ATOM 1097 O GLU A 76 -14.494 9.157 -4.029 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.327 10.511 -5.626 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.161 11.982 -5.280 1.00 0.00 C ATOM 1100 CD GLU A 76 -12.718 12.900 -6.350 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.523 12.602 -7.547 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.350 13.916 -5.991 1.00 0.00 O ATOM 0 H GLU A 76 -11.986 8.071 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.333 9.927 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.597 10.241 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.314 10.358 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.662 12.187 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.103 12.200 -5.135 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.314 10.085 -2.353 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.452 10.155 -1.445 1.00 0.00 C ATOM 1111 C ALA A 77 -15.594 10.961 -2.055 1.00 0.00 C ATOM 1112 O ALA A 77 -16.764 10.618 -1.891 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.029 10.760 -0.115 1.00 0.00 C ATOM 0 H ALA A 77 -12.442 10.445 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.810 9.140 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.889 10.806 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.252 10.142 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.643 11.766 -0.279 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.245 12.033 -2.760 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.242 12.888 -3.393 1.00 0.00 C ATOM 1121 C GLU A 78 -16.645 12.335 -4.757 1.00 0.00 C ATOM 1122 O GLU A 78 -17.758 12.566 -5.228 1.00 0.00 O ATOM 1123 CB GLU A 78 -15.702 14.311 -3.547 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.550 15.051 -2.229 1.00 0.00 C ATOM 1125 CD GLU A 78 -14.758 14.262 -1.205 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -13.638 13.818 -1.536 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -15.257 14.088 -0.073 1.00 0.00 O ATOM 0 H GLU A 78 -14.280 12.330 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.124 12.909 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.733 14.271 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.371 14.876 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.056 16.006 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.538 15.274 -1.826 1.00 0.00 H new ATOM 1134 N GLY A 79 -15.731 11.602 -5.386 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.009 11.028 -6.690 1.00 0.00 C ATOM 1136 C GLY A 79 -16.974 9.861 -6.615 1.00 0.00 C ATOM 1137 O GLY A 79 -17.984 9.835 -7.318 1.00 0.00 O ATOM 0 H GLY A 79 -14.803 11.395 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.424 11.797 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.075 10.695 -7.144 1.00 0.00 H new ATOM 1141 N VAL A 80 -16.662 8.891 -5.761 1.00 0.00 N ATOM 1142 CA VAL A 80 -17.509 7.716 -5.597 1.00 0.00 C ATOM 1143 C VAL A 80 -18.165 7.698 -4.221 1.00 0.00 C ATOM 1144 O VAL A 80 -17.729 6.998 -3.307 1.00 0.00 O ATOM 1145 CB VAL A 80 -16.706 6.415 -5.787 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -17.634 5.210 -5.796 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -15.887 6.477 -7.068 1.00 0.00 C ATOM 0 H VAL A 80 -15.829 8.896 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.282 7.774 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.019 6.307 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.048 4.301 -5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.172 5.158 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.348 5.307 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.326 5.550 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.554 6.609 -7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.194 7.316 -7.016 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.240 8.486 -4.069 1.00 0.00 N ATOM 1158 CA PRO A 81 -19.981 8.578 -2.807 1.00 0.00 C ATOM 1159 C PRO A 81 -20.751 7.301 -2.493 1.00 0.00 C ATOM 1160 O PRO A 81 -20.789 6.855 -1.346 1.00 0.00 O ATOM 1161 CB PRO A 81 -20.948 9.740 -3.048 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.127 9.783 -4.526 1.00 0.00 C ATOM 1163 CD PRO A 81 -19.815 9.347 -5.116 1.00 0.00 C ATOM 0 HA PRO A 81 -19.318 8.727 -1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -21.898 9.577 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -20.541 10.678 -2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -21.935 9.122 -4.840 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.389 10.787 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -19.955 8.804 -6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.170 10.198 -5.335 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.363 6.716 -3.518 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.133 5.489 -3.349 1.00 0.00 C ATOM 1173 C GLU A 82 -21.431 4.535 -2.388 1.00 0.00 C ATOM 1174 O GLU A 82 -22.035 4.037 -1.437 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.346 4.805 -4.700 1.00 0.00 C ATOM 1176 CG GLU A 82 -21.100 4.771 -5.569 1.00 0.00 C ATOM 1177 CD GLU A 82 -21.422 4.715 -7.050 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -22.325 3.942 -7.432 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -20.771 5.446 -7.826 1.00 0.00 O ATOM 0 H GLU A 82 -21.341 7.072 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.103 5.753 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.688 3.784 -4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -23.140 5.322 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -20.496 5.655 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -20.497 3.904 -5.299 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.150 4.283 -2.643 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.365 3.389 -1.801 1.00 0.00 C ATOM 1188 C VAL A 83 -19.156 3.983 -0.413 1.00 0.00 C ATOM 1189 O VAL A 83 -19.526 3.380 0.594 1.00 0.00 O ATOM 1190 CB VAL A 83 -17.991 3.088 -2.431 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.161 2.211 -1.506 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.163 2.431 -3.792 1.00 0.00 C ATOM 0 H VAL A 83 -19.635 4.686 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.929 2.460 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.460 4.029 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.194 2.009 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.010 2.724 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.683 1.270 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.183 2.225 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.713 1.497 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.716 3.100 -4.451 1.00 0.00 H new ATOM 1202 N SER A 84 -18.560 5.171 -0.367 1.00 0.00 N ATOM 1203 CA SER A 84 -18.298 5.846 0.899 1.00 0.00 C ATOM 1204 C SER A 84 -19.480 5.692 1.851 1.00 0.00 C ATOM 1205 O SER A 84 -19.301 5.440 3.042 1.00 0.00 O ATOM 1206 CB SER A 84 -18.012 7.330 0.659 1.00 0.00 C ATOM 1207 OG SER A 84 -17.041 7.504 -0.358 1.00 0.00 O ATOM 0 H SER A 84 -18.250 5.685 -1.191 1.00 0.00 H new ATOM 0 HA SER A 84 -17.423 5.383 1.356 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.933 7.840 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.662 7.790 1.583 1.00 0.00 H new ATOM 0 HG SER A 84 -16.877 8.461 -0.493 1.00 0.00 H new ATOM 1213 N GLU A 85 -20.687 5.845 1.316 1.00 0.00 N ATOM 1214 CA GLU A 85 -21.899 5.724 2.119 1.00 0.00 C ATOM 1215 C GLU A 85 -22.003 4.334 2.739 1.00 0.00 C ATOM 1216 O GLU A 85 -22.099 4.191 3.959 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.135 6.007 1.263 1.00 0.00 C ATOM 1218 CG GLU A 85 -23.388 7.487 1.030 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.153 8.134 2.168 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -23.621 8.163 3.298 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -25.282 8.610 1.930 1.00 0.00 O ATOM 0 H GLU A 85 -20.852 6.053 0.331 1.00 0.00 H new ATOM 0 HA GLU A 85 -21.847 6.459 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.021 5.510 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -24.009 5.569 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -22.434 7.999 0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.947 7.615 0.103 1.00 0.00 H new ATOM 1228 N LYS A 86 -21.985 3.311 1.891 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.077 1.931 2.354 1.00 0.00 C ATOM 1230 C LYS A 86 -21.223 1.717 3.600 1.00 0.00 C ATOM 1231 O LYS A 86 -21.737 1.372 4.664 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.635 0.971 1.248 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.860 -0.493 1.588 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.889 -1.394 0.843 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.419 -2.815 0.734 1.00 0.00 C ATOM 1236 NZ LYS A 86 -22.476 -2.934 -0.308 1.00 0.00 N ATOM 0 H LYS A 86 -21.908 3.412 0.879 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.117 1.728 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.176 1.210 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.576 1.129 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.744 -0.640 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.883 -0.773 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.712 -0.993 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.929 -1.401 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.598 -3.492 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.822 -3.127 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.739 -3.934 -0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -23.312 -2.387 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.116 -2.565 -1.211 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.919 1.925 3.460 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.994 1.754 4.574 1.00 0.00 C ATOM 1252 C TYR A 87 -19.083 2.930 5.542 1.00 0.00 C ATOM 1253 O TYR A 87 -18.588 2.860 6.667 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.561 1.612 4.057 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.346 0.388 3.197 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.606 0.419 1.832 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -16.883 -0.801 3.748 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.412 -0.698 1.042 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.684 -1.922 2.966 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.951 -1.866 1.614 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.755 -2.980 0.830 1.00 0.00 O ATOM 0 H TYR A 87 -19.478 2.212 2.586 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.273 0.846 5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.302 2.500 3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.879 1.573 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -17.966 1.332 1.381 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.675 -0.849 4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -17.620 -0.657 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.321 -2.837 3.411 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.902 -3.401 1.067 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.719 4.009 5.095 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.873 5.200 5.922 1.00 0.00 C ATOM 1273 C GLU A 88 -18.519 5.845 6.204 1.00 0.00 C ATOM 1274 O GLU A 88 -18.249 6.281 7.324 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.567 4.848 7.239 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.917 4.176 7.055 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.607 3.881 8.373 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.697 4.800 9.214 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.058 2.732 8.562 1.00 0.00 O ATOM 0 H GLU A 88 -20.135 4.083 4.167 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.489 5.914 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.919 4.189 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.700 5.758 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.558 4.817 6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.783 3.246 6.503 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.673 5.903 5.182 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.348 6.495 5.319 1.00 0.00 C ATOM 1288 C ILE A 89 -16.422 8.018 5.300 1.00 0.00 C ATOM 1289 O ILE A 89 -16.347 8.640 4.240 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.402 6.024 4.199 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.138 4.522 4.323 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.096 6.802 4.247 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.269 4.156 5.506 1.00 0.00 C ATOM 0 H ILE A 89 -17.881 5.547 4.249 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.953 6.165 6.280 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.879 6.212 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.091 4.000 4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.661 4.169 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.438 6.458 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.300 7.865 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.612 6.642 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.124 3.076 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.302 4.650 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.754 4.478 6.427 1.00 0.00 H new ATOM 1305 N SER A 90 -16.568 8.613 6.479 1.00 0.00 N ATOM 1306 CA SER A 90 -16.653 10.064 6.598 1.00 0.00 C ATOM 1307 C SER A 90 -15.371 10.637 7.194 1.00 0.00 C ATOM 1308 O SER A 90 -15.409 11.559 8.008 1.00 0.00 O ATOM 1309 CB SER A 90 -17.851 10.456 7.466 1.00 0.00 C ATOM 1310 OG SER A 90 -18.153 11.833 7.326 1.00 0.00 O ATOM 0 H SER A 90 -16.630 8.113 7.366 1.00 0.00 H new ATOM 0 HA SER A 90 -16.785 10.478 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.719 9.860 7.184 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.636 10.232 8.511 1.00 0.00 H new ATOM 0 HG SER A 90 -17.370 12.367 7.576 1.00 0.00 H new ATOM 1316 N SER A 91 -14.235 10.083 6.781 1.00 0.00 N ATOM 1317 CA SER A 91 -12.940 10.535 7.276 1.00 0.00 C ATOM 1318 C SER A 91 -11.828 10.173 6.296 1.00 0.00 C ATOM 1319 O SER A 91 -11.784 9.060 5.772 1.00 0.00 O ATOM 1320 CB SER A 91 -12.650 9.918 8.645 1.00 0.00 C ATOM 1321 OG SER A 91 -12.300 8.550 8.525 1.00 0.00 O ATOM 0 H SER A 91 -14.185 9.321 6.105 1.00 0.00 H new ATOM 0 HA SER A 91 -12.975 11.620 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.839 10.463 9.128 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.527 10.017 9.285 1.00 0.00 H new ATOM 0 HG SER A 91 -11.697 8.301 9.257 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.929 11.122 6.054 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.816 10.904 5.138 1.00 0.00 C ATOM 1329 C VAL A 92 -8.567 11.645 5.606 1.00 0.00 C ATOM 1330 O VAL A 92 -8.641 12.690 6.252 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.166 11.362 3.710 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.418 10.655 3.215 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.342 12.872 3.663 1.00 0.00 C ATOM 0 H VAL A 92 -10.950 12.049 6.480 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.618 9.832 5.129 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.342 11.095 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.650 10.991 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.250 9.578 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.253 10.888 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.589 13.178 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.148 13.166 4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.416 13.356 3.973 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.392 11.092 5.272 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.292 9.848 4.503 1.00 0.00 C ATOM 1345 C PRO A 93 -7.747 8.633 5.305 1.00 0.00 C ATOM 1346 O PRO A 93 -7.836 8.683 6.532 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.799 9.748 4.182 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.127 10.523 5.262 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.070 11.638 5.619 1.00 0.00 C ATOM 0 HA PRO A 93 -7.931 9.862 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.465 8.711 4.172 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.577 10.164 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.924 9.892 6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.169 10.916 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.006 11.895 6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.850 12.546 5.057 1.00 0.00 H new ATOM 1357 N THR A 94 -8.034 7.540 4.604 1.00 0.00 N ATOM 1358 CA THR A 94 -8.481 6.313 5.250 1.00 0.00 C ATOM 1359 C THR A 94 -8.306 5.111 4.328 1.00 0.00 C ATOM 1360 O THR A 94 -8.775 5.116 3.190 1.00 0.00 O ATOM 1361 CB THR A 94 -9.958 6.407 5.677 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.084 7.263 6.818 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.515 5.031 6.005 1.00 0.00 C ATOM 0 H THR A 94 -7.965 7.480 3.588 1.00 0.00 H new ATOM 0 HA THR A 94 -7.862 6.181 6.138 1.00 0.00 H new ATOM 0 HB THR A 94 -10.528 6.823 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.691 8.003 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.559 5.123 6.304 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.444 4.391 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.941 4.591 6.821 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.628 4.082 4.827 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.391 2.873 4.047 1.00 0.00 C ATOM 1373 C PHE A 95 -8.260 1.723 4.550 1.00 0.00 C ATOM 1374 O PHE A 95 -8.508 1.596 5.749 1.00 0.00 O ATOM 1375 CB PHE A 95 -5.915 2.478 4.114 1.00 0.00 C ATOM 1376 CG PHE A 95 -4.977 3.606 3.787 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.663 4.561 4.739 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.412 3.710 2.526 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.800 5.600 4.442 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.549 4.746 2.223 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.244 5.693 3.181 1.00 0.00 C ATOM 0 H PHE A 95 -7.233 4.062 5.767 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.657 3.081 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.691 2.108 5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.736 1.655 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.097 4.494 5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.649 2.974 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.561 6.337 5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.113 4.815 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.572 6.505 2.945 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.719 0.889 3.624 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.561 -0.251 3.971 1.00 0.00 C ATOM 1393 C LEU A 96 -9.038 -1.531 3.327 1.00 0.00 C ATOM 1394 O LEU A 96 -9.147 -1.718 2.115 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.004 0.002 3.530 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.765 1.075 4.310 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.084 1.398 3.625 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.003 0.625 5.744 1.00 0.00 C ATOM 0 H LEU A 96 -8.523 0.980 2.627 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.534 -0.374 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.997 0.283 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.556 -0.935 3.607 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.158 1.980 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.612 2.163 4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.890 1.764 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.697 0.498 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.546 1.401 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.589 -0.294 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.045 0.445 6.233 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.470 -2.410 4.145 1.00 0.00 N ATOM 1411 CA PHE A 97 -7.931 -3.674 3.656 1.00 0.00 C ATOM 1412 C PHE A 97 -9.036 -4.715 3.506 1.00 0.00 C ATOM 1413 O PHE A 97 -9.668 -5.112 4.485 1.00 0.00 O ATOM 1414 CB PHE A 97 -6.850 -4.194 4.606 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.724 -3.224 4.820 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -5.801 -2.260 5.813 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.587 -3.276 4.030 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -4.766 -1.366 6.013 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.549 -2.385 4.226 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.639 -1.428 5.218 1.00 0.00 C ATOM 0 H PHE A 97 -8.371 -2.271 5.151 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.488 -3.496 2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.305 -4.428 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.446 -5.125 4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.680 -2.207 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.511 -4.021 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.839 -0.620 6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.668 -2.437 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.829 -0.730 5.371 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.265 -5.153 2.272 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.294 -6.147 1.992 1.00 0.00 C ATOM 1432 C PHE A 98 -9.669 -7.477 1.580 1.00 0.00 C ATOM 1433 O PHE A 98 -8.869 -7.537 0.646 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.230 -5.647 0.889 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.030 -4.439 1.284 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -12.960 -4.512 2.308 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.852 -3.230 0.631 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.699 -3.403 2.674 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.587 -2.117 0.993 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.512 -2.204 2.015 1.00 0.00 C ATOM 0 H PHE A 98 -8.751 -4.835 1.450 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.870 -6.304 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.641 -5.409 0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.913 -6.450 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.109 -5.447 2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.131 -3.157 -0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.421 -3.474 3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.438 -1.180 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.088 -1.336 2.298 1.00 0.00 H new ATOM 1450 N LYS A 99 -10.039 -8.541 2.284 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.517 -9.871 1.993 1.00 0.00 C ATOM 1452 C LYS A 99 -10.651 -10.850 1.707 1.00 0.00 C ATOM 1453 O LYS A 99 -11.468 -11.140 2.580 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.674 -10.378 3.166 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.767 -11.541 2.804 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.578 -11.083 1.975 1.00 0.00 C ATOM 1457 CE LYS A 99 -5.437 -10.599 2.857 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.825 -11.713 3.633 1.00 0.00 N ATOM 0 H LYS A 99 -10.699 -8.508 3.061 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.889 -9.801 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.065 -9.558 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.338 -10.684 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.413 -12.024 3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.334 -12.287 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.232 -11.905 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.887 -10.280 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.675 -10.126 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.807 -9.838 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.860 -11.449 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.397 -11.901 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.789 -12.569 3.043 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.693 -11.358 0.480 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.727 -12.306 0.080 1.00 0.00 C ATOM 1474 C ASN A 100 -13.111 -11.669 0.163 1.00 0.00 C ATOM 1475 O ASN A 100 -14.084 -12.322 0.541 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.673 -13.554 0.963 1.00 0.00 C ATOM 1477 CG ASN A 100 -10.763 -14.626 0.395 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -10.765 -14.882 -0.809 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -9.981 -15.258 1.262 1.00 0.00 N ATOM 0 H ASN A 100 -10.023 -11.129 -0.255 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.541 -12.593 -0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.326 -13.277 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.679 -13.958 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.348 -15.989 0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.013 -15.012 2.251 1.00 0.00 H new ATOM 1486 N SER A 101 -13.191 -10.391 -0.192 1.00 0.00 N ATOM 1487 CA SER A 101 -14.454 -9.664 -0.154 1.00 0.00 C ATOM 1488 C SER A 101 -14.940 -9.493 1.282 1.00 0.00 C ATOM 1489 O SER A 101 -16.139 -9.549 1.553 1.00 0.00 O ATOM 1490 CB SER A 101 -15.514 -10.398 -0.979 1.00 0.00 C ATOM 1491 OG SER A 101 -16.619 -9.556 -1.255 1.00 0.00 O ATOM 0 H SER A 101 -12.395 -9.837 -0.509 1.00 0.00 H new ATOM 0 HA SER A 101 -14.289 -8.676 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.075 -10.745 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.852 -11.282 -0.438 1.00 0.00 H new ATOM 0 HG SER A 101 -16.986 -9.211 -0.414 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.999 -9.285 2.197 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.331 -9.107 3.606 1.00 0.00 C ATOM 1499 C GLN A 102 -13.295 -8.231 4.302 1.00 0.00 C ATOM 1500 O GLN A 102 -12.098 -8.518 4.267 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.421 -10.464 4.306 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.582 -11.321 3.826 1.00 0.00 C ATOM 1503 CD GLN A 102 -16.058 -12.302 4.878 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -16.632 -11.911 5.895 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -15.820 -13.587 4.641 1.00 0.00 N ATOM 0 H GLN A 102 -13.002 -9.236 1.989 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.300 -8.611 3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.489 -11.007 4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.518 -10.304 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.410 -10.674 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.279 -11.869 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.341 -13.868 3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.116 -14.293 5.315 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.763 -7.160 4.935 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.878 -6.241 5.641 1.00 0.00 C ATOM 1516 C LYS A 103 -12.241 -6.919 6.849 1.00 0.00 C ATOM 1517 O LYS A 103 -12.934 -7.324 7.783 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.652 -4.999 6.089 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.760 -3.858 6.547 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.567 -2.610 6.862 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.434 -2.804 8.097 1.00 0.00 C ATOM 1522 NZ LYS A 103 -15.786 -3.323 7.749 1.00 0.00 N ATOM 0 H LYS A 103 -14.750 -6.907 4.973 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.085 -5.941 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.276 -4.653 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.323 -5.273 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.202 -4.164 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.029 -3.633 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.892 -1.769 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.198 -2.358 6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.943 -3.498 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.534 -1.855 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.503 -2.604 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.823 -3.542 6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.978 -4.186 8.297 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.917 -7.038 6.825 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.188 -7.665 7.920 1.00 0.00 C ATOM 1538 C ILE A 104 -9.469 -6.622 8.770 1.00 0.00 C ATOM 1539 O ILE A 104 -9.238 -6.830 9.961 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.157 -8.684 7.399 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.164 -8.002 6.456 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.861 -9.835 6.694 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.851 -8.742 6.325 1.00 0.00 C ATOM 0 H ILE A 104 -10.328 -6.709 6.060 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.924 -8.185 8.532 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.604 -9.086 8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.618 -7.907 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.968 -6.992 6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.120 -10.547 6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.532 -10.334 7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.436 -9.449 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.196 -8.202 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.375 -8.814 7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.035 -9.743 5.936 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.120 -5.500 8.150 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.431 -4.423 8.850 1.00 0.00 C ATOM 1557 C ASP A 105 -8.655 -3.088 8.147 1.00 0.00 C ATOM 1558 O ASP A 105 -8.957 -3.046 6.954 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.933 -4.721 8.940 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.262 -3.979 10.079 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.804 -4.005 11.204 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.197 -3.370 9.846 1.00 0.00 O ATOM 0 H ASP A 105 -9.303 -5.313 7.164 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.842 -4.356 9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.786 -5.793 9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.454 -4.447 8.000 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.505 -1.999 8.894 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.693 -0.662 8.343 1.00 0.00 C ATOM 1569 C ARG A 106 -7.752 0.338 9.009 1.00 0.00 C ATOM 1570 O ARG A 106 -7.420 0.204 10.187 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.144 -0.212 8.525 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.348 1.281 8.326 1.00 0.00 C ATOM 1573 CD ARG A 106 -10.251 2.037 9.641 1.00 0.00 C ATOM 1574 NE ARG A 106 -11.439 1.851 10.469 1.00 0.00 N ATOM 1575 CZ ARG A 106 -11.585 2.385 11.677 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -10.621 3.134 12.195 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -12.696 2.170 12.369 1.00 0.00 N ATOM 0 H ARG A 106 -8.254 -2.016 9.882 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.462 -0.699 7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.775 -0.753 7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.478 -0.485 9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.600 1.662 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.324 1.459 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.371 1.700 10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.113 3.099 9.439 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.199 1.280 10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.765 3.301 11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.735 3.543 13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.439 1.594 11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.807 2.580 13.296 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.325 1.338 8.246 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.422 2.361 8.761 1.00 0.00 C ATOM 1593 C LEU A 107 -7.043 3.749 8.638 1.00 0.00 C ATOM 1594 O LEU A 107 -7.287 4.235 7.534 1.00 0.00 O ATOM 1595 CB LEU A 107 -5.090 2.318 8.010 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.852 2.717 8.814 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.592 2.524 7.985 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.966 4.158 9.288 1.00 0.00 C ATOM 0 H LEU A 107 -7.590 1.462 7.269 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.245 2.155 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.942 1.307 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.163 2.975 7.144 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.788 2.072 9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.721 2.813 8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.503 1.477 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.647 3.144 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.076 4.425 9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.056 4.819 8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.848 4.264 9.920 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.295 4.381 9.779 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.885 5.715 9.800 1.00 0.00 C ATOM 1612 C ASP A 108 -6.824 6.774 10.082 1.00 0.00 C ATOM 1613 O ASP A 108 -6.057 6.659 11.037 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.991 5.790 10.853 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.450 7.211 11.111 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -8.738 7.943 11.830 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -10.521 7.593 10.594 1.00 0.00 O ATOM 0 H ASP A 108 -7.100 3.991 10.701 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.316 5.911 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.841 5.191 10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.632 5.353 11.785 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.786 7.805 9.244 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.815 8.869 9.419 1.00 0.00 C ATOM 1624 C GLY A 109 -4.660 8.766 8.443 1.00 0.00 C ATOM 1625 O GLY A 109 -4.386 7.693 7.906 1.00 0.00 O ATOM 0 H GLY A 109 -7.411 7.922 8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.309 9.832 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.429 8.841 10.438 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.981 9.885 8.213 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.849 9.916 7.295 1.00 0.00 C ATOM 1631 C ALA A 110 -1.579 9.410 7.972 1.00 0.00 C ATOM 1632 O ALA A 110 -0.867 10.172 8.628 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.639 11.326 6.763 1.00 0.00 C ATOM 0 H ALA A 110 -4.195 10.782 8.650 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.073 9.253 6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.791 11.334 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.535 11.653 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.441 12.003 7.594 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.302 8.121 7.810 1.00 0.00 N ATOM 1640 CA HIS A 111 -0.117 7.513 8.407 1.00 0.00 C ATOM 1641 C HIS A 111 0.766 6.880 7.336 1.00 0.00 C ATOM 1642 O HIS A 111 0.380 5.902 6.697 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.523 6.459 9.437 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.335 7.009 10.569 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -2.650 6.875 10.863 1.00 0.00 N flip ATOM 1646 CD2 HIS A 111 -0.802 7.806 11.560 1.00 0.00 C flip ATOM 1647 CE1 HIS A 111 -2.884 7.585 12.015 1.00 0.00 C flip ATOM 1648 NE2 HIS A 111 -1.753 8.137 12.415 1.00 0.00 N flip ATOM 0 H HIS A 111 -1.881 7.477 7.271 1.00 0.00 H new ATOM 0 HA HIS A 111 0.452 8.298 8.906 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.094 5.676 8.938 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.375 5.991 9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.232 8.112 11.627 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.838 7.677 12.513 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.634 8.720 13.243 1.00 0.00 H new ATOM 1657 N ALA A 112 1.953 7.447 7.144 1.00 0.00 N ATOM 1658 CA ALA A 112 2.892 6.938 6.152 1.00 0.00 C ATOM 1659 C ALA A 112 3.435 5.573 6.560 1.00 0.00 C ATOM 1660 O ALA A 112 3.300 4.583 5.841 1.00 0.00 O ATOM 1661 CB ALA A 112 4.033 7.924 5.950 1.00 0.00 C ATOM 0 H ALA A 112 2.287 8.259 7.663 1.00 0.00 H new ATOM 0 HA ALA A 112 2.358 6.820 5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.726 7.531 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.633 8.877 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.558 8.071 6.894 1.00 0.00 H new ATOM 1667 N PRO A 113 4.067 5.516 7.742 1.00 0.00 N ATOM 1668 CA PRO A 113 4.644 4.277 8.272 1.00 0.00 C ATOM 1669 C PRO A 113 3.576 3.269 8.684 1.00 0.00 C ATOM 1670 O PRO A 113 3.633 2.101 8.303 1.00 0.00 O ATOM 1671 CB PRO A 113 5.433 4.748 9.496 1.00 0.00 C ATOM 1672 CG PRO A 113 4.762 6.010 9.917 1.00 0.00 C ATOM 1673 CD PRO A 113 4.265 6.656 8.653 1.00 0.00 C ATOM 0 HA PRO A 113 5.251 3.760 7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.411 4.003 10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.481 4.920 9.249 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.938 5.805 10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.457 6.665 10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.337 7.203 8.819 1.00 0.00 H new ATOM 0 HD3 PRO A 113 4.988 7.368 8.255 1.00 0.00 H new ATOM 1681 N GLU A 114 2.602 3.730 9.463 1.00 0.00 N ATOM 1682 CA GLU A 114 1.521 2.868 9.925 1.00 0.00 C ATOM 1683 C GLU A 114 0.966 2.029 8.778 1.00 0.00 C ATOM 1684 O GLU A 114 0.749 0.825 8.922 1.00 0.00 O ATOM 1685 CB GLU A 114 0.402 3.704 10.548 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.491 2.919 11.494 1.00 0.00 C ATOM 1687 CD GLU A 114 -1.469 3.803 12.243 1.00 0.00 C ATOM 1688 OE1 GLU A 114 -1.051 4.878 12.722 1.00 0.00 O ATOM 1689 OE2 GLU A 114 -2.653 3.420 12.349 1.00 0.00 O ATOM 0 H GLU A 114 2.540 4.695 9.787 1.00 0.00 H new ATOM 0 HA GLU A 114 1.926 2.196 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.844 4.541 11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.210 4.127 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.045 2.170 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.130 2.382 12.211 1.00 0.00 H new ATOM 1696 N LEU A 115 0.736 2.674 7.639 1.00 0.00 N ATOM 1697 CA LEU A 115 0.205 1.989 6.466 1.00 0.00 C ATOM 1698 C LEU A 115 1.102 0.822 6.064 1.00 0.00 C ATOM 1699 O LEU A 115 0.699 -0.339 6.136 1.00 0.00 O ATOM 1700 CB LEU A 115 0.068 2.967 5.298 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.534 2.398 4.013 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.997 2.039 4.221 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.384 3.391 2.869 1.00 0.00 C ATOM 0 H LEU A 115 0.909 3.670 7.503 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.779 1.596 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.547 3.806 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.056 3.366 5.067 1.00 0.00 H new ATOM 0 HG LEU A 115 0.008 1.489 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.408 1.636 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.080 1.292 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.554 2.932 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.818 2.970 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.900 4.317 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.673 3.598 2.703 1.00 0.00 H new ATOM 1715 N THR A 116 2.322 1.138 5.641 1.00 0.00 N ATOM 1716 CA THR A 116 3.277 0.117 5.229 1.00 0.00 C ATOM 1717 C THR A 116 3.189 -1.112 6.126 1.00 0.00 C ATOM 1718 O THR A 116 3.062 -2.238 5.645 1.00 0.00 O ATOM 1719 CB THR A 116 4.720 0.655 5.254 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.808 1.859 4.483 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.692 -0.378 4.702 1.00 0.00 C ATOM 0 H THR A 116 2.672 2.094 5.575 1.00 0.00 H new ATOM 0 HA THR A 116 3.019 -0.163 4.208 1.00 0.00 H new ATOM 0 HB THR A 116 4.987 0.867 6.289 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.728 2.195 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.705 0.024 4.730 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.644 -1.283 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.424 -0.616 3.673 1.00 0.00 H new ATOM 1729 N LYS A 117 3.257 -0.889 7.435 1.00 0.00 N ATOM 1730 CA LYS A 117 3.183 -1.979 8.401 1.00 0.00 C ATOM 1731 C LYS A 117 2.015 -2.907 8.086 1.00 0.00 C ATOM 1732 O LYS A 117 2.206 -4.090 7.804 1.00 0.00 O ATOM 1733 CB LYS A 117 3.037 -1.421 9.819 1.00 0.00 C ATOM 1734 CG LYS A 117 4.183 -0.516 10.237 1.00 0.00 C ATOM 1735 CD LYS A 117 4.289 -0.412 11.749 1.00 0.00 C ATOM 1736 CE LYS A 117 3.449 0.735 12.289 1.00 0.00 C ATOM 1737 NZ LYS A 117 1.999 0.395 12.320 1.00 0.00 N ATOM 0 H LYS A 117 3.363 0.036 7.851 1.00 0.00 H new ATOM 0 HA LYS A 117 4.107 -2.553 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.102 -0.865 9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.966 -2.251 10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.119 -0.901 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.037 0.477 9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.963 -1.348 12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.331 -0.266 12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.784 0.988 13.295 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.601 1.619 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.514 1.006 13.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.588 0.542 11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.882 -0.600 12.598 1.00 0.00 H new ATOM 1751 N LYS A 118 0.803 -2.364 8.136 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.397 -3.142 7.853 1.00 0.00 C ATOM 1753 C LYS A 118 -0.296 -3.823 6.492 1.00 0.00 C ATOM 1754 O LYS A 118 -0.667 -4.987 6.340 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.635 -2.242 7.895 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.221 -2.078 9.286 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.059 -0.815 9.392 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.420 -0.505 10.837 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.223 -0.128 11.639 1.00 0.00 N ATOM 0 H LYS A 118 0.626 -1.387 8.370 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.489 -3.912 8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.373 -1.260 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.397 -2.656 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.836 -2.945 9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.416 -2.044 10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.510 0.024 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.970 -0.931 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.146 0.308 10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.899 -1.375 11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.098 -0.807 12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.380 -0.139 11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.354 0.826 12.031 1.00 0.00 H new ATOM 1773 N VAL A 119 0.210 -3.091 5.505 1.00 0.00 N ATOM 1774 CA VAL A 119 0.362 -3.626 4.157 1.00 0.00 C ATOM 1775 C VAL A 119 1.186 -4.908 4.165 1.00 0.00 C ATOM 1776 O VAL A 119 0.751 -5.940 3.653 1.00 0.00 O ATOM 1777 CB VAL A 119 1.033 -2.603 3.220 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.324 -3.231 1.866 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.159 -1.368 3.068 1.00 0.00 C ATOM 0 H VAL A 119 0.522 -2.126 5.613 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.640 -3.844 3.787 1.00 0.00 H new ATOM 0 HB VAL A 119 1.981 -2.297 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.798 -2.494 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.992 -4.083 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.391 -3.567 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.648 -0.656 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.805 -1.654 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.007 -0.908 4.044 1.00 0.00 H new ATOM 1789 N GLN A 120 2.378 -4.836 4.749 1.00 0.00 N ATOM 1790 CA GLN A 120 3.263 -5.993 4.823 1.00 0.00 C ATOM 1791 C GLN A 120 2.621 -7.119 5.625 1.00 0.00 C ATOM 1792 O GLN A 120 2.545 -8.258 5.163 1.00 0.00 O ATOM 1793 CB GLN A 120 4.600 -5.599 5.454 1.00 0.00 C ATOM 1794 CG GLN A 120 5.334 -4.507 4.692 1.00 0.00 C ATOM 1795 CD GLN A 120 6.779 -4.363 5.127 1.00 0.00 C ATOM 1796 OE1 GLN A 120 7.066 -4.128 6.301 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.699 -4.503 4.180 1.00 0.00 N ATOM 0 H GLN A 120 2.753 -3.990 5.177 1.00 0.00 H new ATOM 0 HA GLN A 120 3.439 -6.350 3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.425 -5.263 6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.238 -6.481 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.300 -4.728 3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.818 -3.558 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.417 -4.697 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.688 -4.416 4.413 1.00 0.00 H new ATOM 1806 N ARG A 121 2.160 -6.794 6.828 1.00 0.00 N ATOM 1807 CA ARG A 121 1.525 -7.779 7.695 1.00 0.00 C ATOM 1808 C ARG A 121 0.418 -8.523 6.954 1.00 0.00 C ATOM 1809 O ARG A 121 0.482 -9.740 6.779 1.00 0.00 O ATOM 1810 CB ARG A 121 0.953 -7.101 8.941 1.00 0.00 C ATOM 1811 CG ARG A 121 0.400 -8.077 9.967 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.579 -7.397 10.912 1.00 0.00 C ATOM 1813 NE ARG A 121 -0.956 -8.263 12.025 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.234 -8.394 13.132 1.00 0.00 C ATOM 1815 NH1 ARG A 121 0.898 -7.719 13.273 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -0.644 -9.202 14.101 1.00 0.00 N ATOM 0 H ARG A 121 2.214 -5.856 7.225 1.00 0.00 H new ATOM 0 HA ARG A 121 2.284 -8.500 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.733 -6.500 9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.160 -6.416 8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.099 -8.900 9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.221 -8.508 10.540 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.132 -6.482 11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.473 -7.106 10.360 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.822 -8.797 11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.217 -7.097 12.530 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.450 -7.822 14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.514 -9.723 13.996 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.089 -9.302 14.951 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.598 -7.783 6.522 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.720 -8.372 5.799 1.00 0.00 C ATOM 1832 C HIS A 122 -1.239 -9.098 4.547 1.00 0.00 C ATOM 1833 O HIS A 122 -1.668 -10.216 4.262 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.733 -7.291 5.419 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.209 -6.480 6.585 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.592 -7.040 7.785 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.361 -5.143 6.729 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.961 -6.082 8.617 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.830 -4.922 8.001 1.00 0.00 N ATOM 0 H HIS A 122 -0.668 -6.775 6.660 1.00 0.00 H new ATOM 0 HA HIS A 122 -2.202 -9.097 6.455 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.282 -6.625 4.683 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.591 -7.761 4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.152 -4.390 5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.310 -6.224 9.629 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.043 -4.009 8.404 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.346 -8.454 3.802 1.00 0.00 N ATOM 1849 CA ALA A 123 0.194 -9.039 2.581 1.00 0.00 C ATOM 1850 C ALA A 123 0.484 -10.525 2.765 1.00 0.00 C ATOM 1851 O ALA A 123 0.331 -11.317 1.835 1.00 0.00 O ATOM 1852 CB ALA A 123 1.456 -8.303 2.156 1.00 0.00 C ATOM 0 H ALA A 123 0.018 -7.527 4.023 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.556 -8.936 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.848 -8.751 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.222 -7.254 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.203 -8.376 2.946 1.00 0.00 H new