USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 669 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 21 CYS SG : rot -52:sc= 1.13 USER MOD Set 1.2: A 51 TYR OH : rot 35:sc= 1.45 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.88 USER MOD Single : A 29 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 35 GLN : amide:sc= 0.163 K(o=0.16,f=-4.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.96) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.723 F(o=-2.2!,f=-0.72) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0328 F(o=-0.65,f=-0.033) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00177 USER MOD Single : A 99 ASN : amide:sc= -0.538 K(o=-0.54,f=-2.5!) USER MOD Single : A 100 GLN : amide:sc= -0.075 K(o=-0.075,f=-2!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.2!) USER MOD Single : A 109 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -1.23 F(o=-2.2,f=-1.2) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -121:sc= -1.41 (180deg=-5.9!) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0887 USER MOD Single : A 121 THR OG1 : rot 36:sc= 0.583 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 13 -59.610 -3.928 6.379 1.00 0.00 N ATOM 141 CA VAL A 13 -59.384 -2.531 6.709 1.00 0.00 C ATOM 142 C VAL A 13 -59.920 -2.251 8.114 1.00 0.00 C ATOM 143 O VAL A 13 -60.831 -2.933 8.583 1.00 0.00 O ATOM 144 CB VAL A 13 -60.010 -1.633 5.640 1.00 0.00 C ATOM 145 CG1 VAL A 13 -60.160 -0.198 6.149 1.00 0.00 C ATOM 146 CG2 VAL A 13 -59.197 -1.674 4.345 1.00 0.00 C ATOM 0 HA VAL A 13 -58.317 -2.308 6.717 1.00 0.00 H new ATOM 0 HB VAL A 13 -61.007 -2.016 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -60.607 0.419 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -60.800 -0.190 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -59.179 0.200 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -59.664 -1.027 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -58.182 -1.328 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -59.165 -2.696 3.968 1.00 0.00 H new ATOM 156 N GLU A 14 -59.333 -1.247 8.748 1.00 0.00 N ATOM 157 CA GLU A 14 -59.740 -0.868 10.090 1.00 0.00 C ATOM 158 C GLU A 14 -60.057 0.628 10.146 1.00 0.00 C ATOM 159 O GLU A 14 -59.300 1.447 9.627 1.00 0.00 O ATOM 160 CB GLU A 14 -58.666 -1.240 11.114 1.00 0.00 C ATOM 161 CG GLU A 14 -58.794 -2.705 11.536 1.00 0.00 C ATOM 162 CD GLU A 14 -59.046 -2.822 13.040 1.00 0.00 C ATOM 163 OE1 GLU A 14 -58.209 -2.287 13.799 1.00 0.00 O ATOM 164 OE2 GLU A 14 -60.069 -3.446 13.398 1.00 0.00 O ATOM 0 H GLU A 14 -58.578 -0.684 8.357 1.00 0.00 H new ATOM 0 HA GLU A 14 -60.644 -1.421 10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -57.678 -1.065 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -58.755 -0.597 11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -59.612 -3.175 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -57.884 -3.244 11.273 1.00 0.00 H new ATOM 171 N ILE A 15 -61.177 0.940 10.781 1.00 0.00 N ATOM 172 CA ILE A 15 -61.604 2.322 10.912 1.00 0.00 C ATOM 173 C ILE A 15 -60.856 2.974 12.077 1.00 0.00 C ATOM 174 O ILE A 15 -60.374 2.284 12.974 1.00 0.00 O ATOM 175 CB ILE A 15 -63.126 2.404 11.036 1.00 0.00 C ATOM 176 CG1 ILE A 15 -63.809 1.467 10.038 1.00 0.00 C ATOM 177 CG2 ILE A 15 -63.611 3.848 10.892 1.00 0.00 C ATOM 178 CD1 ILE A 15 -63.415 1.816 8.601 1.00 0.00 C ATOM 0 H ILE A 15 -61.802 0.258 11.211 1.00 0.00 H new ATOM 0 HA ILE A 15 -61.350 2.885 10.014 1.00 0.00 H new ATOM 0 HB ILE A 15 -63.406 2.069 12.035 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -63.532 0.435 10.254 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -64.891 1.537 10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -64.697 3.878 10.984 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -63.163 4.462 11.674 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -63.319 4.234 9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -63.914 1.135 7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -63.715 2.840 8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -62.335 1.721 8.487 1.00 0.00 H new ATOM 190 N GLY A 16 -60.782 4.296 12.026 1.00 0.00 N ATOM 191 CA GLY A 16 -60.101 5.049 13.065 1.00 0.00 C ATOM 192 C GLY A 16 -58.616 5.219 12.736 1.00 0.00 C ATOM 193 O GLY A 16 -58.003 6.216 13.115 1.00 0.00 O ATOM 0 H GLY A 16 -61.183 4.865 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -60.567 6.028 13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -60.209 4.536 14.021 1.00 0.00 H new ATOM 197 N GLU A 17 -58.082 4.231 12.034 1.00 0.00 N ATOM 198 CA GLU A 17 -56.681 4.259 11.649 1.00 0.00 C ATOM 199 C GLU A 17 -56.508 5.010 10.328 1.00 0.00 C ATOM 200 O GLU A 17 -57.476 5.224 9.600 1.00 0.00 O ATOM 201 CB GLU A 17 -56.110 2.842 11.553 1.00 0.00 C ATOM 202 CG GLU A 17 -55.759 2.297 12.939 1.00 0.00 C ATOM 203 CD GLU A 17 -56.697 1.155 13.333 1.00 0.00 C ATOM 204 OE1 GLU A 17 -57.906 1.439 13.479 1.00 0.00 O ATOM 205 OE2 GLU A 17 -56.185 0.025 13.480 1.00 0.00 O ATOM 0 H GLU A 17 -58.594 3.406 11.722 1.00 0.00 H new ATOM 0 HA GLU A 17 -56.123 4.789 12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -56.836 2.185 11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -55.220 2.847 10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -54.728 1.944 12.944 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -55.825 3.097 13.676 1.00 0.00 H new ATOM 212 N THR A 18 -55.268 5.390 10.058 1.00 0.00 N ATOM 213 CA THR A 18 -54.956 6.114 8.837 1.00 0.00 C ATOM 214 C THR A 18 -54.231 5.200 7.846 1.00 0.00 C ATOM 215 O THR A 18 -53.462 4.328 8.249 1.00 0.00 O ATOM 216 CB THR A 18 -54.151 7.358 9.217 1.00 0.00 C ATOM 217 OG1 THR A 18 -55.040 8.108 10.040 1.00 0.00 O ATOM 218 CG2 THR A 18 -53.889 8.274 8.020 1.00 0.00 C ATOM 0 H THR A 18 -54.467 5.210 10.664 1.00 0.00 H new ATOM 0 HA THR A 18 -55.863 6.440 8.328 1.00 0.00 H new ATOM 0 HB THR A 18 -53.201 7.055 9.657 1.00 0.00 H new ATOM 0 HG1 THR A 18 -54.598 8.932 10.333 1.00 0.00 H new ATOM 0 HG21 THR A 18 -53.314 9.141 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 18 -53.327 7.729 7.261 1.00 0.00 H new ATOM 0 HG23 THR A 18 -54.839 8.605 7.600 1.00 0.00 H new ATOM 226 N TYR A 19 -54.501 5.432 6.570 1.00 0.00 N ATOM 227 CA TYR A 19 -53.883 4.641 5.519 1.00 0.00 C ATOM 228 C TYR A 19 -53.478 5.522 4.336 1.00 0.00 C ATOM 229 O TYR A 19 -54.020 6.611 4.154 1.00 0.00 O ATOM 230 CB TYR A 19 -54.951 3.647 5.057 1.00 0.00 C ATOM 231 CG TYR A 19 -55.381 2.650 6.135 1.00 0.00 C ATOM 232 CD1 TYR A 19 -56.090 3.087 7.236 1.00 0.00 C ATOM 233 CD2 TYR A 19 -55.061 1.314 6.007 1.00 0.00 C ATOM 234 CE1 TYR A 19 -56.495 2.149 8.250 1.00 0.00 C ATOM 235 CE2 TYR A 19 -55.465 0.376 7.021 1.00 0.00 C ATOM 236 CZ TYR A 19 -56.163 0.839 8.093 1.00 0.00 C ATOM 237 OH TYR A 19 -56.545 -0.047 9.051 1.00 0.00 O ATOM 0 H TYR A 19 -55.139 6.156 6.240 1.00 0.00 H new ATOM 0 HA TYR A 19 -52.984 4.148 5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -55.827 4.201 4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -54.572 3.095 4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -56.341 4.133 7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -54.507 0.972 5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -57.050 2.478 9.116 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -55.220 -0.672 6.933 1.00 0.00 H new ATOM 0 HH TYR A 19 -56.240 -0.946 8.806 1.00 0.00 H new ATOM 247 N LEU A 20 -52.528 5.018 3.562 1.00 0.00 N ATOM 248 CA LEU A 20 -52.043 5.746 2.402 1.00 0.00 C ATOM 249 C LEU A 20 -53.045 5.595 1.255 1.00 0.00 C ATOM 250 O LEU A 20 -53.255 4.492 0.751 1.00 0.00 O ATOM 251 CB LEU A 20 -50.625 5.298 2.042 1.00 0.00 C ATOM 252 CG LEU A 20 -49.563 5.500 3.125 1.00 0.00 C ATOM 253 CD1 LEU A 20 -49.439 6.977 3.504 1.00 0.00 C ATOM 254 CD2 LEU A 20 -49.848 4.618 4.343 1.00 0.00 C ATOM 0 H LEU A 20 -52.081 4.114 3.716 1.00 0.00 H new ATOM 0 HA LEU A 20 -51.969 6.811 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -50.654 4.240 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -50.311 5.837 1.148 1.00 0.00 H new ATOM 0 HG LEU A 20 -48.600 5.190 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -48.678 7.092 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -49.155 7.556 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -50.396 7.337 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -49.079 4.781 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -50.823 4.874 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -49.845 3.570 4.042 1.00 0.00 H new ATOM 266 N CYS A 21 -53.637 6.718 0.877 1.00 0.00 N ATOM 267 CA CYS A 21 -54.612 6.724 -0.200 1.00 0.00 C ATOM 268 C CYS A 21 -53.933 7.266 -1.459 1.00 0.00 C ATOM 269 O CYS A 21 -53.327 8.336 -1.430 1.00 0.00 O ATOM 270 CB CYS A 21 -55.858 7.531 0.169 1.00 0.00 C ATOM 271 SG CYS A 21 -56.957 7.687 -1.287 1.00 0.00 S ATOM 0 H CYS A 21 -53.460 7.630 1.297 1.00 0.00 H new ATOM 0 HA CYS A 21 -54.960 5.708 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -56.389 7.042 0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -55.569 8.520 0.524 1.00 0.00 H new ATOM 0 HG CYS A 21 -56.274 8.131 -2.300 1.00 0.00 H new ATOM 277 N ARG A 22 -54.057 6.503 -2.535 1.00 0.00 N ATOM 278 CA ARG A 22 -53.463 6.894 -3.803 1.00 0.00 C ATOM 279 C ARG A 22 -53.925 8.298 -4.195 1.00 0.00 C ATOM 280 O ARG A 22 -54.929 8.791 -3.683 1.00 0.00 O ATOM 281 CB ARG A 22 -53.839 5.911 -4.913 1.00 0.00 C ATOM 282 CG ARG A 22 -52.650 5.652 -5.841 1.00 0.00 C ATOM 283 CD ARG A 22 -52.428 4.151 -6.041 1.00 0.00 C ATOM 284 NE ARG A 22 -52.368 3.836 -7.486 1.00 0.00 N ATOM 285 CZ ARG A 22 -53.412 3.932 -8.320 1.00 0.00 C ATOM 286 NH1 ARG A 22 -54.604 4.334 -7.858 1.00 0.00 N ATOM 287 NH2 ARG A 22 -53.265 3.625 -9.616 1.00 0.00 N ATOM 0 H ARG A 22 -54.560 5.616 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 22 -52.380 6.887 -3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -54.174 4.971 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -54.675 6.309 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -52.826 6.129 -6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -51.751 6.104 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -51.502 3.844 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -53.236 3.590 -5.571 1.00 0.00 H new ATOM 0 HE ARG A 22 -51.476 3.526 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -54.716 4.567 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -55.399 4.407 -8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -52.358 3.318 -9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -54.060 3.698 -10.251 1.00 0.00 H new ATOM 376 N TRP A 28 -48.900 8.713 -3.215 1.00 0.00 N ATOM 377 CA TRP A 28 -49.809 8.285 -2.166 1.00 0.00 C ATOM 378 C TRP A 28 -49.872 9.393 -1.112 1.00 0.00 C ATOM 379 O TRP A 28 -48.895 10.111 -0.904 1.00 0.00 O ATOM 380 CB TRP A 28 -49.382 6.934 -1.588 1.00 0.00 C ATOM 381 CG TRP A 28 -49.611 5.753 -2.533 1.00 0.00 C ATOM 382 CD1 TRP A 28 -49.091 5.559 -3.753 1.00 0.00 C ATOM 383 CD2 TRP A 28 -50.445 4.602 -2.284 1.00 0.00 C ATOM 384 NE1 TRP A 28 -49.528 4.373 -4.306 1.00 0.00 N ATOM 385 CE2 TRP A 28 -50.377 3.772 -3.384 1.00 0.00 C ATOM 386 CE3 TRP A 28 -51.231 4.272 -1.166 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -51.071 2.560 -3.475 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -51.919 3.058 -1.271 1.00 0.00 C ATOM 389 CH2 TRP A 28 -51.861 2.211 -2.372 1.00 0.00 C ATOM 0 HA TRP A 28 -50.811 8.128 -2.565 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -48.324 6.979 -1.329 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -49.930 6.757 -0.662 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -48.415 6.245 -4.242 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -49.275 4.005 -5.223 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -51.299 4.906 -0.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -51.001 1.928 -4.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -52.538 2.758 -0.439 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -52.422 1.288 -2.377 1.00 0.00 H new ATOM 400 N HIS A 29 -51.029 9.496 -0.477 1.00 0.00 N ATOM 401 CA HIS A 29 -51.232 10.504 0.550 1.00 0.00 C ATOM 402 C HIS A 29 -51.963 9.884 1.742 1.00 0.00 C ATOM 403 O HIS A 29 -52.749 8.952 1.576 1.00 0.00 O ATOM 404 CB HIS A 29 -51.959 11.723 -0.022 1.00 0.00 C ATOM 405 CG HIS A 29 -51.037 12.829 -0.478 1.00 0.00 C ATOM 406 ND1 HIS A 29 -51.010 14.077 0.120 1.00 0.00 N ATOM 407 CD2 HIS A 29 -50.111 12.862 -1.479 1.00 0.00 C ATOM 408 CE1 HIS A 29 -50.105 14.819 -0.501 1.00 0.00 C ATOM 409 NE2 HIS A 29 -49.549 14.064 -1.492 1.00 0.00 N ATOM 0 H HIS A 29 -51.836 8.898 -0.653 1.00 0.00 H new ATOM 0 HA HIS A 29 -50.267 10.863 0.907 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -52.573 11.405 -0.865 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -52.637 12.118 0.735 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -49.875 12.048 -2.148 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -49.852 15.842 -0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -48.821 14.373 -2.137 1.00 0.00 H new ATOM 417 N SER A 30 -51.678 10.425 2.917 1.00 0.00 N ATOM 418 CA SER A 30 -52.298 9.935 4.137 1.00 0.00 C ATOM 419 C SER A 30 -53.771 10.350 4.177 1.00 0.00 C ATOM 420 O SER A 30 -54.132 11.419 3.689 1.00 0.00 O ATOM 421 CB SER A 30 -51.566 10.457 5.375 1.00 0.00 C ATOM 422 OG SER A 30 -51.036 11.764 5.170 1.00 0.00 O ATOM 0 H SER A 30 -51.026 11.198 3.051 1.00 0.00 H new ATOM 0 HA SER A 30 -52.232 8.847 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 30 -52.252 10.473 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 30 -50.757 9.774 5.633 1.00 0.00 H new ATOM 0 HG SER A 30 -50.578 12.063 5.983 1.00 0.00 H new ATOM 428 N ALA A 31 -54.581 9.480 4.763 1.00 0.00 N ATOM 429 CA ALA A 31 -56.006 9.742 4.874 1.00 0.00 C ATOM 430 C ALA A 31 -56.605 8.834 5.949 1.00 0.00 C ATOM 431 O ALA A 31 -56.414 7.619 5.918 1.00 0.00 O ATOM 432 CB ALA A 31 -56.669 9.545 3.509 1.00 0.00 C ATOM 0 H ALA A 31 -54.278 8.593 5.166 1.00 0.00 H new ATOM 0 HA ALA A 31 -56.184 10.774 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -57.738 9.741 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -56.228 10.233 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -56.514 8.520 3.174 1.00 0.00 H new ATOM 438 N GLU A 32 -57.318 9.458 6.876 1.00 0.00 N ATOM 439 CA GLU A 32 -57.946 8.722 7.959 1.00 0.00 C ATOM 440 C GLU A 32 -59.243 8.069 7.475 1.00 0.00 C ATOM 441 O GLU A 32 -60.075 8.724 6.850 1.00 0.00 O ATOM 442 CB GLU A 32 -58.205 9.631 9.162 1.00 0.00 C ATOM 443 CG GLU A 32 -59.294 10.659 8.848 1.00 0.00 C ATOM 444 CD GLU A 32 -59.685 11.444 10.102 1.00 0.00 C ATOM 445 OE1 GLU A 32 -60.287 10.817 10.999 1.00 0.00 O ATOM 446 OE2 GLU A 32 -59.373 12.654 10.134 1.00 0.00 O ATOM 0 H GLU A 32 -57.474 10.466 6.899 1.00 0.00 H new ATOM 0 HA GLU A 32 -57.264 7.935 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -58.505 9.029 10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -57.284 10.144 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -58.940 11.347 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -60.171 10.153 8.443 1.00 0.00 H new ATOM 453 N VAL A 33 -59.373 6.787 7.783 1.00 0.00 N ATOM 454 CA VAL A 33 -60.554 6.039 7.388 1.00 0.00 C ATOM 455 C VAL A 33 -61.702 6.361 8.347 1.00 0.00 C ATOM 456 O VAL A 33 -61.711 5.899 9.487 1.00 0.00 O ATOM 457 CB VAL A 33 -60.230 4.545 7.324 1.00 0.00 C ATOM 458 CG1 VAL A 33 -61.487 3.723 7.030 1.00 0.00 C ATOM 459 CG2 VAL A 33 -59.138 4.264 6.289 1.00 0.00 C ATOM 0 H VAL A 33 -58.680 6.247 8.302 1.00 0.00 H new ATOM 0 HA VAL A 33 -60.874 6.332 6.388 1.00 0.00 H new ATOM 0 HB VAL A 33 -59.852 4.243 8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -61.229 2.665 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -62.222 3.887 7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -61.907 4.030 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -58.927 3.195 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -59.476 4.590 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -58.232 4.806 6.560 1.00 0.00 H new ATOM 469 N ILE A 34 -62.642 7.151 7.850 1.00 0.00 N ATOM 470 CA ILE A 34 -63.791 7.541 8.648 1.00 0.00 C ATOM 471 C ILE A 34 -64.625 6.300 8.974 1.00 0.00 C ATOM 472 O ILE A 34 -64.860 5.994 10.142 1.00 0.00 O ATOM 473 CB ILE A 34 -64.582 8.646 7.946 1.00 0.00 C ATOM 474 CG1 ILE A 34 -63.667 9.805 7.544 1.00 0.00 C ATOM 475 CG2 ILE A 34 -65.755 9.114 8.809 1.00 0.00 C ATOM 476 CD1 ILE A 34 -63.658 10.893 8.619 1.00 0.00 C ATOM 0 H ILE A 34 -62.631 7.532 6.904 1.00 0.00 H new ATOM 0 HA ILE A 34 -63.468 7.967 9.598 1.00 0.00 H new ATOM 0 HB ILE A 34 -65.002 8.235 7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -62.654 9.436 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -64.003 10.227 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -66.300 9.900 8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -66.423 8.274 9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -65.378 9.502 9.756 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -63.000 11.705 8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -64.669 11.277 8.757 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -63.298 10.473 9.558 1.00 0.00 H new ATOM 488 N GLN A 35 -65.048 5.617 7.920 1.00 0.00 N ATOM 489 CA GLN A 35 -65.850 4.416 8.079 1.00 0.00 C ATOM 490 C GLN A 35 -65.712 3.519 6.847 1.00 0.00 C ATOM 491 O GLN A 35 -64.901 3.792 5.963 1.00 0.00 O ATOM 492 CB GLN A 35 -67.316 4.767 8.340 1.00 0.00 C ATOM 493 CG GLN A 35 -67.651 4.649 9.828 1.00 0.00 C ATOM 494 CD GLN A 35 -67.998 3.206 10.200 1.00 0.00 C ATOM 495 OE1 GLN A 35 -68.290 2.373 9.357 1.00 0.00 O ATOM 496 NE2 GLN A 35 -67.949 2.957 11.505 1.00 0.00 N ATOM 0 H GLN A 35 -64.850 5.873 6.953 1.00 0.00 H new ATOM 0 HA GLN A 35 -65.482 3.868 8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -67.517 5.782 7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -67.961 4.103 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -66.803 4.988 10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -68.490 5.302 10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -67.697 3.700 12.157 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -68.163 2.023 11.854 1.00 0.00 H new ATOM 505 N SER A 36 -66.516 2.466 6.828 1.00 0.00 N ATOM 506 CA SER A 36 -66.494 1.527 5.720 1.00 0.00 C ATOM 507 C SER A 36 -67.920 1.244 5.244 1.00 0.00 C ATOM 508 O SER A 36 -68.869 1.345 6.021 1.00 0.00 O ATOM 509 CB SER A 36 -65.798 0.223 6.116 1.00 0.00 C ATOM 510 OG SER A 36 -66.408 -0.382 7.253 1.00 0.00 O ATOM 0 H SER A 36 -67.187 2.243 7.563 1.00 0.00 H new ATOM 0 HA SER A 36 -65.928 1.976 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 36 -65.825 -0.472 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 36 -64.748 0.423 6.331 1.00 0.00 H new ATOM 0 HG SER A 36 -65.937 -1.212 7.474 1.00 0.00 H new ATOM 516 N ARG A 37 -68.028 0.896 3.971 1.00 0.00 N ATOM 517 CA ARG A 37 -69.322 0.598 3.383 1.00 0.00 C ATOM 518 C ARG A 37 -69.162 -0.367 2.206 1.00 0.00 C ATOM 519 O ARG A 37 -68.072 -0.498 1.651 1.00 0.00 O ATOM 520 CB ARG A 37 -70.013 1.874 2.897 1.00 0.00 C ATOM 521 CG ARG A 37 -69.267 2.483 1.708 1.00 0.00 C ATOM 522 CD ARG A 37 -70.116 3.553 1.018 1.00 0.00 C ATOM 523 NE ARG A 37 -71.228 2.918 0.277 1.00 0.00 N ATOM 524 CZ ARG A 37 -72.347 3.556 -0.091 1.00 0.00 C ATOM 525 NH1 ARG A 37 -72.509 4.852 0.211 1.00 0.00 N ATOM 526 NH2 ARG A 37 -73.304 2.899 -0.761 1.00 0.00 N ATOM 0 H ARG A 37 -67.239 0.814 3.329 1.00 0.00 H new ATOM 0 HA ARG A 37 -69.938 0.136 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -71.040 1.649 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -70.061 2.598 3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -68.329 2.922 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -69.012 1.700 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -70.512 4.248 1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -69.498 4.134 0.334 1.00 0.00 H new ATOM 0 HE ARG A 37 -71.137 1.932 0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -71.780 5.352 0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -73.361 5.338 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -73.180 1.913 -0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -74.156 3.385 -1.041 1.00 0.00 H new ATOM 540 N VAL A 38 -70.263 -1.017 1.860 1.00 0.00 N ATOM 541 CA VAL A 38 -70.258 -1.965 0.760 1.00 0.00 C ATOM 542 C VAL A 38 -71.345 -1.579 -0.246 1.00 0.00 C ATOM 543 O VAL A 38 -72.402 -1.080 0.138 1.00 0.00 O ATOM 544 CB VAL A 38 -70.418 -3.389 1.295 1.00 0.00 C ATOM 545 CG1 VAL A 38 -70.991 -4.318 0.222 1.00 0.00 C ATOM 546 CG2 VAL A 38 -69.090 -3.925 1.833 1.00 0.00 C ATOM 0 H VAL A 38 -71.165 -0.905 2.323 1.00 0.00 H new ATOM 0 HA VAL A 38 -69.303 -1.935 0.235 1.00 0.00 H new ATOM 0 HB VAL A 38 -71.126 -3.358 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -71.094 -5.324 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -71.968 -3.952 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -70.319 -4.341 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -69.232 -4.939 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -68.350 -3.934 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -68.741 -3.285 2.643 1.00 0.00 H new ATOM 556 N ASN A 39 -71.048 -1.825 -1.513 1.00 0.00 N ATOM 557 CA ASN A 39 -71.987 -1.509 -2.576 1.00 0.00 C ATOM 558 C ASN A 39 -72.573 -2.807 -3.135 1.00 0.00 C ATOM 559 O ASN A 39 -71.855 -3.616 -3.720 1.00 0.00 O ATOM 560 CB ASN A 39 -71.293 -0.772 -3.723 1.00 0.00 C ATOM 561 CG ASN A 39 -71.731 0.693 -3.778 1.00 0.00 C ATOM 562 OD1 ASN A 39 -71.847 1.371 -2.771 1.00 0.00 O ATOM 563 ND2 ASN A 39 -71.966 1.141 -5.008 1.00 0.00 N ATOM 0 H ASN A 39 -70.171 -2.239 -1.828 1.00 0.00 H new ATOM 0 HA ASN A 39 -72.767 -0.873 -2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -70.212 -0.828 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -71.527 -1.261 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -72.263 2.106 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -71.849 0.519 -5.808 1.00 0.00 H new ATOM 570 N ASP A 40 -73.874 -2.965 -2.936 1.00 0.00 N ATOM 571 CA ASP A 40 -74.565 -4.151 -3.412 1.00 0.00 C ATOM 572 C ASP A 40 -74.799 -4.029 -4.919 1.00 0.00 C ATOM 573 O ASP A 40 -74.631 -4.998 -5.658 1.00 0.00 O ATOM 574 CB ASP A 40 -75.927 -4.305 -2.733 1.00 0.00 C ATOM 575 CG ASP A 40 -76.157 -5.651 -2.042 1.00 0.00 C ATOM 576 OD1 ASP A 40 -75.275 -6.524 -2.194 1.00 0.00 O ATOM 577 OD2 ASP A 40 -77.208 -5.776 -1.379 1.00 0.00 O ATOM 0 H ASP A 40 -74.467 -2.291 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 40 -73.946 -5.018 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -76.040 -3.511 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -76.707 -4.159 -3.480 1.00 0.00 H new ATOM 582 N GLN A 41 -75.184 -2.829 -5.330 1.00 0.00 N ATOM 583 CA GLN A 41 -75.443 -2.567 -6.736 1.00 0.00 C ATOM 584 C GLN A 41 -74.241 -2.986 -7.584 1.00 0.00 C ATOM 585 O GLN A 41 -74.357 -3.856 -8.446 1.00 0.00 O ATOM 586 CB GLN A 41 -75.790 -1.095 -6.964 1.00 0.00 C ATOM 587 CG GLN A 41 -76.711 -0.570 -5.861 1.00 0.00 C ATOM 588 CD GLN A 41 -77.504 0.647 -6.341 1.00 0.00 C ATOM 589 OE1 GLN A 41 -77.036 1.773 -6.318 1.00 0.00 O ATOM 590 NE2 GLN A 41 -78.727 0.358 -6.776 1.00 0.00 N ATOM 0 H GLN A 41 -75.323 -2.028 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 41 -76.304 -3.160 -7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -74.876 -0.502 -6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -76.275 -0.978 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -77.398 -1.357 -5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -76.119 -0.301 -4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -79.056 -0.607 -6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -79.336 1.102 -7.118 1.00 0.00 H new ATOM 599 N GLU A 42 -73.113 -2.346 -7.311 1.00 0.00 N ATOM 600 CA GLU A 42 -71.890 -2.641 -8.038 1.00 0.00 C ATOM 601 C GLU A 42 -71.274 -3.948 -7.533 1.00 0.00 C ATOM 602 O GLU A 42 -70.748 -4.734 -8.319 1.00 0.00 O ATOM 603 CB GLU A 42 -70.894 -1.486 -7.927 1.00 0.00 C ATOM 604 CG GLU A 42 -70.907 -0.627 -9.193 1.00 0.00 C ATOM 605 CD GLU A 42 -69.872 -1.124 -10.204 1.00 0.00 C ATOM 606 OE1 GLU A 42 -68.730 -1.384 -9.766 1.00 0.00 O ATOM 607 OE2 GLU A 42 -70.246 -1.232 -11.392 1.00 0.00 O ATOM 0 H GLU A 42 -73.021 -1.624 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 42 -72.138 -2.763 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -71.141 -0.870 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -69.891 -1.880 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -71.900 -0.650 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -70.699 0.411 -8.934 1.00 0.00 H new ATOM 614 N GLY A 43 -71.360 -4.138 -6.225 1.00 0.00 N ATOM 615 CA GLY A 43 -70.817 -5.335 -5.606 1.00 0.00 C ATOM 616 C GLY A 43 -69.329 -5.164 -5.292 1.00 0.00 C ATOM 617 O GLY A 43 -68.506 -5.979 -5.708 1.00 0.00 O ATOM 0 H GLY A 43 -71.797 -3.483 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -71.363 -5.554 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -70.956 -6.188 -6.271 1.00 0.00 H new ATOM 621 N ARG A 44 -69.030 -4.101 -4.562 1.00 0.00 N ATOM 622 CA ARG A 44 -67.655 -3.813 -4.188 1.00 0.00 C ATOM 623 C ARG A 44 -67.608 -3.154 -2.808 1.00 0.00 C ATOM 624 O ARG A 44 -68.646 -2.818 -2.240 1.00 0.00 O ATOM 625 CB ARG A 44 -66.989 -2.889 -5.210 1.00 0.00 C ATOM 626 CG ARG A 44 -67.698 -1.535 -5.269 1.00 0.00 C ATOM 627 CD ARG A 44 -66.687 -0.386 -5.281 1.00 0.00 C ATOM 628 NE ARG A 44 -67.396 0.913 -5.253 1.00 0.00 N ATOM 629 CZ ARG A 44 -68.030 1.445 -6.307 1.00 0.00 C ATOM 630 NH1 ARG A 44 -68.046 0.794 -7.478 1.00 0.00 N ATOM 631 NH2 ARG A 44 -68.646 2.629 -6.190 1.00 0.00 N ATOM 0 H ARG A 44 -69.715 -3.428 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 44 -67.113 -4.758 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -65.942 -2.744 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -67.008 -3.356 -6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -68.321 -1.485 -6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -68.362 -1.431 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -66.023 -0.466 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -66.062 -0.450 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 44 -67.402 1.436 -4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -67.576 -0.107 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -68.529 1.199 -8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -68.632 3.125 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -69.129 3.034 -6.992 1.00 0.00 H new ATOM 645 N GLU A 45 -66.392 -2.990 -2.307 1.00 0.00 N ATOM 646 CA GLU A 45 -66.195 -2.378 -1.004 1.00 0.00 C ATOM 647 C GLU A 45 -65.670 -0.950 -1.163 1.00 0.00 C ATOM 648 O GLU A 45 -65.140 -0.592 -2.214 1.00 0.00 O ATOM 649 CB GLU A 45 -65.251 -3.217 -0.141 1.00 0.00 C ATOM 650 CG GLU A 45 -65.858 -4.588 0.162 1.00 0.00 C ATOM 651 CD GLU A 45 -64.768 -5.654 0.289 1.00 0.00 C ATOM 652 OE1 GLU A 45 -64.223 -5.778 1.408 1.00 0.00 O ATOM 653 OE2 GLU A 45 -64.504 -6.322 -0.734 1.00 0.00 O ATOM 0 H GLU A 45 -65.533 -3.271 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 45 -67.158 -2.336 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -64.298 -3.343 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -65.043 -2.693 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -66.433 -4.539 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -66.553 -4.866 -0.631 1.00 0.00 H new ATOM 660 N GLU A 46 -65.835 -0.172 -0.103 1.00 0.00 N ATOM 661 CA GLU A 46 -65.384 1.210 -0.111 1.00 0.00 C ATOM 662 C GLU A 46 -65.063 1.672 1.312 1.00 0.00 C ATOM 663 O GLU A 46 -65.508 1.060 2.282 1.00 0.00 O ATOM 664 CB GLU A 46 -66.424 2.122 -0.763 1.00 0.00 C ATOM 665 CG GLU A 46 -65.993 2.524 -2.175 1.00 0.00 C ATOM 666 CD GLU A 46 -66.967 3.539 -2.778 1.00 0.00 C ATOM 667 OE1 GLU A 46 -68.146 3.511 -2.362 1.00 0.00 O ATOM 668 OE2 GLU A 46 -66.511 4.321 -3.640 1.00 0.00 O ATOM 0 H GLU A 46 -66.275 -0.472 0.767 1.00 0.00 H new ATOM 0 HA GLU A 46 -64.472 1.271 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -67.386 1.611 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -66.563 3.015 -0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -64.990 2.950 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -65.945 1.639 -2.810 1.00 0.00 H new ATOM 675 N PHE A 47 -64.294 2.748 1.391 1.00 0.00 N ATOM 676 CA PHE A 47 -63.909 3.299 2.679 1.00 0.00 C ATOM 677 C PHE A 47 -63.763 4.820 2.603 1.00 0.00 C ATOM 678 O PHE A 47 -62.993 5.334 1.792 1.00 0.00 O ATOM 679 CB PHE A 47 -62.555 2.686 3.041 1.00 0.00 C ATOM 680 CG PHE A 47 -62.611 1.187 3.344 1.00 0.00 C ATOM 681 CD1 PHE A 47 -62.492 0.284 2.334 1.00 0.00 C ATOM 682 CD2 PHE A 47 -62.779 0.758 4.623 1.00 0.00 C ATOM 683 CE1 PHE A 47 -62.544 -1.106 2.615 1.00 0.00 C ATOM 684 CE2 PHE A 47 -62.832 -0.633 4.904 1.00 0.00 C ATOM 685 CZ PHE A 47 -62.713 -1.536 3.894 1.00 0.00 C ATOM 0 H PHE A 47 -63.927 3.253 0.584 1.00 0.00 H new ATOM 0 HA PHE A 47 -64.671 3.071 3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -61.860 2.854 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -62.153 3.207 3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -62.358 0.625 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -62.872 1.475 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -62.449 -1.823 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -62.967 -0.974 5.920 1.00 0.00 H new ATOM 0 HZ PHE A 47 -62.753 -2.594 4.108 1.00 0.00 H new ATOM 695 N TYR A 48 -64.514 5.498 3.458 1.00 0.00 N ATOM 696 CA TYR A 48 -64.478 6.950 3.498 1.00 0.00 C ATOM 697 C TYR A 48 -63.224 7.448 4.220 1.00 0.00 C ATOM 698 O TYR A 48 -63.204 7.537 5.447 1.00 0.00 O ATOM 699 CB TYR A 48 -65.713 7.381 4.291 1.00 0.00 C ATOM 700 CG TYR A 48 -66.157 8.820 4.019 1.00 0.00 C ATOM 701 CD1 TYR A 48 -66.234 9.284 2.721 1.00 0.00 C ATOM 702 CD2 TYR A 48 -66.480 9.653 5.070 1.00 0.00 C ATOM 703 CE1 TYR A 48 -66.651 10.638 2.465 1.00 0.00 C ATOM 704 CE2 TYR A 48 -66.898 11.007 4.814 1.00 0.00 C ATOM 705 CZ TYR A 48 -66.963 11.433 3.524 1.00 0.00 C ATOM 706 OH TYR A 48 -67.357 12.712 3.282 1.00 0.00 O ATOM 0 H TYR A 48 -65.151 5.069 4.129 1.00 0.00 H new ATOM 0 HA TYR A 48 -64.465 7.361 2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -66.537 6.707 4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -65.505 7.271 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -65.982 8.632 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -66.419 9.290 6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -66.715 11.014 1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -67.154 11.669 5.628 1.00 0.00 H new ATOM 0 HH TYR A 48 -67.548 13.162 4.131 1.00 0.00 H new ATOM 716 N VAL A 49 -62.208 7.759 3.428 1.00 0.00 N ATOM 717 CA VAL A 49 -60.954 8.246 3.976 1.00 0.00 C ATOM 718 C VAL A 49 -60.939 9.775 3.926 1.00 0.00 C ATOM 719 O VAL A 49 -61.378 10.371 2.944 1.00 0.00 O ATOM 720 CB VAL A 49 -59.777 7.611 3.233 1.00 0.00 C ATOM 721 CG1 VAL A 49 -59.921 6.089 3.175 1.00 0.00 C ATOM 722 CG2 VAL A 49 -59.633 8.202 1.828 1.00 0.00 C ATOM 0 H VAL A 49 -62.228 7.683 2.411 1.00 0.00 H new ATOM 0 HA VAL A 49 -60.856 7.955 5.022 1.00 0.00 H new ATOM 0 HB VAL A 49 -58.868 7.840 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -59.071 5.663 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -59.952 5.688 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -60.843 5.830 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -58.789 7.734 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -60.545 8.018 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -59.462 9.276 1.901 1.00 0.00 H new ATOM 732 N HIS A 50 -60.429 10.365 4.996 1.00 0.00 N ATOM 733 CA HIS A 50 -60.351 11.813 5.086 1.00 0.00 C ATOM 734 C HIS A 50 -58.901 12.262 4.893 1.00 0.00 C ATOM 735 O HIS A 50 -58.008 11.818 5.612 1.00 0.00 O ATOM 736 CB HIS A 50 -60.954 12.309 6.402 1.00 0.00 C ATOM 737 CG HIS A 50 -60.592 13.735 6.745 1.00 0.00 C ATOM 738 ND1 HIS A 50 -59.378 14.322 6.948 1.00 0.00 N flip ATOM 739 CD2 HIS A 50 -61.540 14.729 6.916 1.00 0.00 C flip ATOM 740 CE1 HIS A 50 -59.573 15.605 7.226 1.00 0.00 C flip ATOM 741 NE2 HIS A 50 -60.913 15.859 7.207 1.00 0.00 N flip ATOM 0 H HIS A 50 -60.065 9.867 5.808 1.00 0.00 H new ATOM 0 HA HIS A 50 -60.944 12.262 4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -62.039 12.224 6.347 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -60.623 11.657 7.210 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -62.609 14.604 6.827 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -58.798 16.329 7.433 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -61.355 16.761 7.386 1.00 0.00 H new ATOM 749 N TYR A 51 -58.712 13.138 3.916 1.00 0.00 N ATOM 750 CA TYR A 51 -57.386 13.652 3.619 1.00 0.00 C ATOM 751 C TYR A 51 -56.974 14.725 4.629 1.00 0.00 C ATOM 752 O TYR A 51 -57.252 15.907 4.433 1.00 0.00 O ATOM 753 CB TYR A 51 -57.482 14.286 2.230 1.00 0.00 C ATOM 754 CG TYR A 51 -57.484 13.274 1.082 1.00 0.00 C ATOM 755 CD1 TYR A 51 -56.348 12.540 0.808 1.00 0.00 C ATOM 756 CD2 TYR A 51 -58.621 13.096 0.321 1.00 0.00 C ATOM 757 CE1 TYR A 51 -56.350 11.587 -0.272 1.00 0.00 C ATOM 758 CE2 TYR A 51 -58.623 12.144 -0.758 1.00 0.00 C ATOM 759 CZ TYR A 51 -57.488 11.436 -1.002 1.00 0.00 C ATOM 760 OH TYR A 51 -57.490 10.537 -2.022 1.00 0.00 O ATOM 0 H TYR A 51 -59.455 13.504 3.321 1.00 0.00 H new ATOM 0 HA TYR A 51 -56.646 12.853 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -58.393 14.882 2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -56.644 14.970 2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -55.458 12.680 1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -59.510 13.671 0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -55.468 11.006 -0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -59.507 11.995 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 51 -56.934 9.767 -1.781 1.00 0.00 H new ATOM 770 N VAL A 52 -56.319 14.274 5.688 1.00 0.00 N ATOM 771 CA VAL A 52 -55.866 15.181 6.730 1.00 0.00 C ATOM 772 C VAL A 52 -54.822 16.137 6.149 1.00 0.00 C ATOM 773 O VAL A 52 -53.790 15.700 5.641 1.00 0.00 O ATOM 774 CB VAL A 52 -55.346 14.384 7.928 1.00 0.00 C ATOM 775 CG1 VAL A 52 -56.472 13.580 8.582 1.00 0.00 C ATOM 776 CG2 VAL A 52 -54.188 13.472 7.519 1.00 0.00 C ATOM 0 H VAL A 52 -56.091 13.293 5.848 1.00 0.00 H new ATOM 0 HA VAL A 52 -56.695 15.787 7.095 1.00 0.00 H new ATOM 0 HB VAL A 52 -54.969 15.094 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -56.076 13.023 9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -57.252 14.259 8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -56.892 12.884 7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -53.837 12.917 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -54.528 12.773 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -53.373 14.076 7.121 1.00 0.00 H new ATOM 906 N GLU A 60 -63.941 11.429 0.449 1.00 0.00 N ATOM 907 CA GLU A 60 -64.603 10.519 -0.471 1.00 0.00 C ATOM 908 C GLU A 60 -64.243 9.070 -0.136 1.00 0.00 C ATOM 909 O GLU A 60 -63.277 8.817 0.583 1.00 0.00 O ATOM 910 CB GLU A 60 -64.245 10.850 -1.922 1.00 0.00 C ATOM 911 CG GLU A 60 -62.795 10.473 -2.229 1.00 0.00 C ATOM 912 CD GLU A 60 -62.229 11.343 -3.354 1.00 0.00 C ATOM 913 OE1 GLU A 60 -62.728 11.196 -4.490 1.00 0.00 O ATOM 914 OE2 GLU A 60 -61.310 12.134 -3.051 1.00 0.00 O ATOM 0 HA GLU A 60 -65.680 10.641 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -64.914 10.315 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -64.394 11.914 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -62.187 10.591 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -62.741 9.422 -2.515 1.00 0.00 H new ATOM 921 N TRP A 61 -65.039 8.157 -0.671 1.00 0.00 N ATOM 922 CA TRP A 61 -64.817 6.740 -0.437 1.00 0.00 C ATOM 923 C TRP A 61 -63.707 6.274 -1.381 1.00 0.00 C ATOM 924 O TRP A 61 -63.560 6.803 -2.482 1.00 0.00 O ATOM 925 CB TRP A 61 -66.115 5.947 -0.603 1.00 0.00 C ATOM 926 CG TRP A 61 -67.277 6.473 0.242 1.00 0.00 C ATOM 927 CD1 TRP A 61 -68.125 7.468 -0.051 1.00 0.00 C ATOM 928 CD2 TRP A 61 -67.688 5.986 1.537 1.00 0.00 C ATOM 929 NE1 TRP A 61 -69.049 7.659 0.957 1.00 0.00 N ATOM 930 CE2 TRP A 61 -68.774 6.728 1.953 1.00 0.00 C ATOM 931 CE3 TRP A 61 -67.159 4.953 2.330 1.00 0.00 C ATOM 932 CZ2 TRP A 61 -69.425 6.517 3.175 1.00 0.00 C ATOM 933 CZ3 TRP A 61 -67.820 4.754 3.548 1.00 0.00 C ATOM 934 CH2 TRP A 61 -68.915 5.493 3.982 1.00 0.00 C ATOM 0 H TRP A 61 -65.839 8.371 -1.266 1.00 0.00 H new ATOM 0 HA TRP A 61 -64.498 6.564 0.590 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -66.407 5.962 -1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -65.929 4.906 -0.339 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -68.090 8.048 -0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -69.795 8.354 0.969 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -66.310 4.360 2.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -70.274 7.112 3.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -67.454 3.972 4.196 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -69.370 5.278 4.938 1.00 0.00 H new ATOM 945 N VAL A 62 -62.954 5.287 -0.916 1.00 0.00 N ATOM 946 CA VAL A 62 -61.862 4.743 -1.705 1.00 0.00 C ATOM 947 C VAL A 62 -61.988 3.220 -1.761 1.00 0.00 C ATOM 948 O VAL A 62 -62.856 2.641 -1.109 1.00 0.00 O ATOM 949 CB VAL A 62 -60.521 5.212 -1.135 1.00 0.00 C ATOM 950 CG1 VAL A 62 -60.516 6.727 -0.921 1.00 0.00 C ATOM 951 CG2 VAL A 62 -60.189 4.473 0.162 1.00 0.00 C ATOM 0 H VAL A 62 -63.079 4.850 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 62 -61.911 5.111 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 62 -59.745 4.975 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -59.552 7.034 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -60.686 7.230 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -61.307 6.998 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -59.232 4.825 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -60.968 4.664 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -60.130 3.402 -0.034 1.00 0.00 H new ATOM 961 N ASP A 63 -61.110 2.613 -2.545 1.00 0.00 N ATOM 962 CA ASP A 63 -61.112 1.168 -2.695 1.00 0.00 C ATOM 963 C ASP A 63 -59.951 0.575 -1.894 1.00 0.00 C ATOM 964 O ASP A 63 -58.980 1.269 -1.595 1.00 0.00 O ATOM 965 CB ASP A 63 -60.930 0.765 -4.159 1.00 0.00 C ATOM 966 CG ASP A 63 -62.116 1.090 -5.071 1.00 0.00 C ATOM 967 OD1 ASP A 63 -63.221 0.595 -4.762 1.00 0.00 O ATOM 968 OD2 ASP A 63 -61.889 1.825 -6.056 1.00 0.00 O ATOM 0 H ASP A 63 -60.391 3.096 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 63 -62.070 0.794 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -60.043 1.263 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -60.739 -0.307 -4.204 1.00 0.00 H new ATOM 973 N LYS A 64 -60.089 -0.702 -1.570 1.00 0.00 N ATOM 974 CA LYS A 64 -59.063 -1.396 -0.809 1.00 0.00 C ATOM 975 C LYS A 64 -57.738 -1.332 -1.572 1.00 0.00 C ATOM 976 O LYS A 64 -56.671 -1.255 -0.965 1.00 0.00 O ATOM 977 CB LYS A 64 -59.514 -2.820 -0.477 1.00 0.00 C ATOM 978 CG LYS A 64 -60.676 -2.809 0.518 1.00 0.00 C ATOM 979 CD LYS A 64 -60.801 -4.158 1.229 1.00 0.00 C ATOM 980 CE LYS A 64 -60.592 -4.005 2.737 1.00 0.00 C ATOM 981 NZ LYS A 64 -61.361 -5.033 3.474 1.00 0.00 N ATOM 0 H LYS A 64 -60.895 -1.275 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 64 -58.902 -0.905 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -59.818 -3.331 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -58.678 -3.382 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -60.523 -2.019 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -61.605 -2.582 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -61.785 -4.585 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -60.067 -4.855 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -59.532 -4.096 2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -60.906 -3.011 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -61.208 -4.915 4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -62.374 -4.928 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -61.043 -5.979 3.183 1.00 0.00 H new ATOM 995 N ASN A 65 -57.850 -1.368 -2.892 1.00 0.00 N ATOM 996 CA ASN A 65 -56.674 -1.315 -3.744 1.00 0.00 C ATOM 997 C ASN A 65 -56.048 0.078 -3.656 1.00 0.00 C ATOM 998 O ASN A 65 -54.830 0.209 -3.536 1.00 0.00 O ATOM 999 CB ASN A 65 -57.041 -1.577 -5.206 1.00 0.00 C ATOM 1000 CG ASN A 65 -55.806 -1.969 -6.020 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -55.016 -0.945 -6.330 1.00 0.00 O flip ATOM 1002 ND2 ASN A 65 -55.585 -3.124 -6.345 1.00 0.00 N flip ATOM 0 H ASN A 65 -58.737 -1.433 -3.392 1.00 0.00 H new ATOM 0 HA ASN A 65 -55.977 -2.081 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -57.785 -2.372 -5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -57.496 -0.685 -5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -56.233 -3.863 -6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -54.752 -3.350 -6.888 1.00 0.00 H new ATOM 1009 N ARG A 66 -56.908 1.084 -3.719 1.00 0.00 N ATOM 1010 CA ARG A 66 -56.454 2.462 -3.648 1.00 0.00 C ATOM 1011 C ARG A 66 -55.781 2.730 -2.301 1.00 0.00 C ATOM 1012 O ARG A 66 -54.996 3.669 -2.171 1.00 0.00 O ATOM 1013 CB ARG A 66 -57.620 3.436 -3.831 1.00 0.00 C ATOM 1014 CG ARG A 66 -57.983 3.584 -5.310 1.00 0.00 C ATOM 1015 CD ARG A 66 -58.860 4.817 -5.538 1.00 0.00 C ATOM 1016 NE ARG A 66 -59.001 5.077 -6.988 1.00 0.00 N ATOM 1017 CZ ARG A 66 -59.666 6.120 -7.503 1.00 0.00 C ATOM 1018 NH1 ARG A 66 -60.255 7.007 -6.690 1.00 0.00 N ATOM 1019 NH2 ARG A 66 -59.742 6.276 -8.832 1.00 0.00 N ATOM 0 H ARG A 66 -57.917 0.972 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 66 -55.736 2.617 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -58.487 3.080 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -57.354 4.409 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -57.073 3.665 -5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -58.508 2.692 -5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -59.842 4.663 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -58.418 5.684 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 66 -58.565 4.421 -7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -60.197 6.889 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -60.761 7.801 -7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -59.294 5.601 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -60.248 7.070 -9.224 1.00 0.00 H new ATOM 1033 N LEU A 67 -56.113 1.890 -1.332 1.00 0.00 N ATOM 1034 CA LEU A 67 -55.550 2.025 0.001 1.00 0.00 C ATOM 1035 C LEU A 67 -54.271 1.191 0.097 1.00 0.00 C ATOM 1036 O LEU A 67 -53.992 0.373 -0.778 1.00 0.00 O ATOM 1037 CB LEU A 67 -56.595 1.672 1.062 1.00 0.00 C ATOM 1038 CG LEU A 67 -57.694 2.711 1.293 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -58.853 2.114 2.093 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -57.129 3.969 1.954 1.00 0.00 C ATOM 0 H LEU A 67 -56.765 1.113 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 67 -55.271 3.061 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -57.066 0.730 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -56.080 1.500 2.007 1.00 0.00 H new ATOM 0 HG LEU A 67 -58.092 3.009 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -59.621 2.873 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -59.277 1.272 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -58.488 1.770 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -57.931 4.691 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -56.688 3.708 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -56.365 4.406 1.311 1.00 0.00 H new ATOM 1052 N ALA A 68 -53.526 1.429 1.167 1.00 0.00 N ATOM 1053 CA ALA A 68 -52.283 0.710 1.388 1.00 0.00 C ATOM 1054 C ALA A 68 -52.539 -0.463 2.337 1.00 0.00 C ATOM 1055 O ALA A 68 -52.715 -0.267 3.538 1.00 0.00 O ATOM 1056 CB ALA A 68 -51.224 1.675 1.926 1.00 0.00 C ATOM 0 H ALA A 68 -53.760 2.110 1.890 1.00 0.00 H new ATOM 0 HA ALA A 68 -51.905 0.300 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -50.291 1.136 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -51.058 2.473 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -51.567 2.104 2.867 1.00 0.00 H new ATOM 1062 N LEU A 69 -52.550 -1.656 1.761 1.00 0.00 N ATOM 1063 CA LEU A 69 -52.781 -2.860 2.540 1.00 0.00 C ATOM 1064 C LEU A 69 -51.513 -3.717 2.535 1.00 0.00 C ATOM 1065 O LEU A 69 -51.173 -4.322 1.520 1.00 0.00 O ATOM 1066 CB LEU A 69 -54.023 -3.597 2.033 1.00 0.00 C ATOM 1067 CG LEU A 69 -55.333 -2.807 2.070 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -56.376 -3.431 1.141 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -55.850 -2.670 3.503 1.00 0.00 C ATOM 0 H LEU A 69 -52.403 -1.814 0.764 1.00 0.00 H new ATOM 0 HA LEU A 69 -52.991 -2.606 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -53.840 -3.912 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -54.151 -4.503 2.626 1.00 0.00 H new ATOM 0 HG LEU A 69 -55.136 -1.800 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -57.297 -2.850 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -55.998 -3.433 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -56.577 -4.455 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -56.782 -2.105 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -56.027 -3.660 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -55.110 -2.147 4.108 1.00 0.00 H new ATOM 1464 N ARG A 94 -59.050 28.451 37.894 1.00 0.00 N ATOM 1465 CA ARG A 94 -60.080 28.283 38.905 1.00 0.00 C ATOM 1466 C ARG A 94 -60.899 29.568 39.047 1.00 0.00 C ATOM 1467 O ARG A 94 -60.504 30.619 38.543 1.00 0.00 O ATOM 1468 CB ARG A 94 -59.468 27.925 40.261 1.00 0.00 C ATOM 1469 CG ARG A 94 -60.257 26.802 40.939 1.00 0.00 C ATOM 1470 CD ARG A 94 -59.617 25.440 40.664 1.00 0.00 C ATOM 1471 NE ARG A 94 -60.477 24.360 41.198 1.00 0.00 N ATOM 1472 CZ ARG A 94 -60.184 23.056 41.115 1.00 0.00 C ATOM 1473 NH1 ARG A 94 -59.051 22.660 40.519 1.00 0.00 N ATOM 1474 NH2 ARG A 94 -61.024 22.146 41.627 1.00 0.00 N ATOM 0 HA ARG A 94 -60.729 27.468 38.585 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -58.431 27.616 40.126 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -59.457 28.806 40.903 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -60.297 26.979 42.014 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -61.285 26.805 40.577 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -59.474 25.306 39.592 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -58.631 25.393 41.125 1.00 0.00 H new ATOM 0 HE ARG A 94 -61.348 24.626 41.658 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -58.411 23.352 40.128 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -58.828 21.667 40.456 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -61.887 22.447 42.080 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -60.800 21.153 41.564 1.00 0.00 H new ATOM 1488 N LYS A 95 -62.024 29.442 39.735 1.00 0.00 N ATOM 1489 CA LYS A 95 -62.902 30.580 39.949 1.00 0.00 C ATOM 1490 C LYS A 95 -63.599 30.433 41.303 1.00 0.00 C ATOM 1491 O LYS A 95 -64.747 29.997 41.370 1.00 0.00 O ATOM 1492 CB LYS A 95 -63.869 30.740 38.773 1.00 0.00 C ATOM 1493 CG LYS A 95 -64.294 32.200 38.608 1.00 0.00 C ATOM 1494 CD LYS A 95 -65.764 32.390 38.989 1.00 0.00 C ATOM 1495 CE LYS A 95 -66.505 33.204 37.928 1.00 0.00 C ATOM 1496 NZ LYS A 95 -66.453 34.647 38.252 1.00 0.00 N ATOM 0 H LYS A 95 -62.348 28.569 40.152 1.00 0.00 H new ATOM 0 HA LYS A 95 -62.326 31.504 39.985 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -63.394 30.390 37.857 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -64.749 30.117 38.934 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -63.668 32.837 39.232 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -64.139 32.513 37.576 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -66.242 31.417 39.105 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -65.831 32.895 39.952 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -66.059 33.029 36.949 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -67.543 32.876 37.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -66.961 35.185 37.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -66.900 34.811 39.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -65.462 34.960 38.286 1.00 0.00 H new ATOM 1510 N ILE A 96 -62.876 30.806 42.348 1.00 0.00 N ATOM 1511 CA ILE A 96 -63.410 30.721 43.697 1.00 0.00 C ATOM 1512 C ILE A 96 -64.608 31.665 43.826 1.00 0.00 C ATOM 1513 O ILE A 96 -64.864 32.474 42.936 1.00 0.00 O ATOM 1514 CB ILE A 96 -62.309 30.980 44.727 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -62.779 30.611 46.136 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -61.814 32.426 44.648 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -61.588 30.414 47.076 1.00 0.00 C ATOM 0 H ILE A 96 -61.924 31.168 42.288 1.00 0.00 H new ATOM 0 HA ILE A 96 -63.773 29.714 43.901 1.00 0.00 H new ATOM 0 HB ILE A 96 -61.462 30.336 44.491 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -63.428 31.396 46.524 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -63.372 29.697 46.098 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -61.032 32.584 45.390 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -61.414 32.620 43.653 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -62.643 33.106 44.844 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -61.949 30.153 48.071 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -60.954 29.612 46.697 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -61.011 31.337 47.130 1.00 0.00 H new ATOM 1529 N THR A 97 -65.310 31.528 44.941 1.00 0.00 N ATOM 1530 CA THR A 97 -66.475 32.358 45.199 1.00 0.00 C ATOM 1531 C THR A 97 -66.863 32.288 46.677 1.00 0.00 C ATOM 1532 O THR A 97 -66.584 31.297 47.349 1.00 0.00 O ATOM 1533 CB THR A 97 -67.592 31.911 44.254 1.00 0.00 C ATOM 1534 OG1 THR A 97 -68.634 32.857 44.477 1.00 0.00 O ATOM 1535 CG2 THR A 97 -68.208 30.573 44.669 1.00 0.00 C ATOM 0 H THR A 97 -65.095 30.855 45.676 1.00 0.00 H new ATOM 0 HA THR A 97 -66.264 33.409 45.001 1.00 0.00 H new ATOM 0 HB THR A 97 -67.200 31.832 43.240 1.00 0.00 H new ATOM 0 HG1 THR A 97 -69.399 32.643 43.902 1.00 0.00 H new ATOM 0 HG21 THR A 97 -68.995 30.301 43.966 1.00 0.00 H new ATOM 0 HG22 THR A 97 -67.438 29.802 44.667 1.00 0.00 H new ATOM 0 HG23 THR A 97 -68.630 30.662 45.670 1.00 0.00 H new ATOM 1543 N ARG A 98 -67.503 33.353 47.139 1.00 0.00 N ATOM 1544 CA ARG A 98 -67.933 33.425 48.525 1.00 0.00 C ATOM 1545 C ARG A 98 -68.689 34.730 48.778 1.00 0.00 C ATOM 1546 O ARG A 98 -68.665 35.638 47.948 1.00 0.00 O ATOM 1547 CB ARG A 98 -66.738 33.342 49.477 1.00 0.00 C ATOM 1548 CG ARG A 98 -65.826 34.560 49.319 1.00 0.00 C ATOM 1549 CD ARG A 98 -64.917 34.726 50.539 1.00 0.00 C ATOM 1550 NE ARG A 98 -63.758 35.580 50.194 1.00 0.00 N ATOM 1551 CZ ARG A 98 -62.659 35.697 50.952 1.00 0.00 C ATOM 1552 NH1 ARG A 98 -62.563 35.015 52.101 1.00 0.00 N ATOM 1553 NH2 ARG A 98 -61.657 36.496 50.560 1.00 0.00 N ATOM 0 H ARG A 98 -67.734 34.173 46.578 1.00 0.00 H new ATOM 0 HA ARG A 98 -68.592 32.577 48.713 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -67.092 33.279 50.506 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -66.173 32.432 49.278 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -65.219 34.450 48.421 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -66.431 35.457 49.187 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -65.476 35.172 51.361 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -64.571 33.750 50.881 1.00 0.00 H new ATOM 0 HE ARG A 98 -63.798 36.113 49.325 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -63.326 34.407 52.399 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -61.727 35.104 52.678 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -61.731 37.015 49.685 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -60.820 36.585 51.137 1.00 0.00 H new ATOM 1567 N ASN A 99 -69.343 34.784 49.930 1.00 0.00 N ATOM 1568 CA ASN A 99 -70.106 35.963 50.303 1.00 0.00 C ATOM 1569 C ASN A 99 -70.806 35.710 51.640 1.00 0.00 C ATOM 1570 O ASN A 99 -70.979 34.562 52.047 1.00 0.00 O ATOM 1571 CB ASN A 99 -71.179 36.278 49.260 1.00 0.00 C ATOM 1572 CG ASN A 99 -72.116 35.085 49.059 1.00 0.00 C ATOM 1573 OD1 ASN A 99 -72.800 34.640 49.966 1.00 0.00 O ATOM 1574 ND2 ASN A 99 -72.109 34.594 47.822 1.00 0.00 N ATOM 0 H ASN A 99 -69.360 34.030 50.617 1.00 0.00 H new ATOM 0 HA ASN A 99 -69.415 36.803 50.374 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -71.755 37.148 49.577 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -70.706 36.537 48.313 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -72.701 33.797 47.586 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -71.512 35.014 47.110 1.00 0.00 H new ATOM 1581 N GLN A 100 -71.190 36.801 52.286 1.00 0.00 N ATOM 1582 CA GLN A 100 -71.867 36.711 53.569 1.00 0.00 C ATOM 1583 C GLN A 100 -72.544 38.042 53.906 1.00 0.00 C ATOM 1584 O GLN A 100 -72.329 39.042 53.222 1.00 0.00 O ATOM 1585 CB GLN A 100 -70.895 36.295 54.674 1.00 0.00 C ATOM 1586 CG GLN A 100 -69.824 37.365 54.894 1.00 0.00 C ATOM 1587 CD GLN A 100 -69.233 37.268 56.302 1.00 0.00 C ATOM 1588 OE1 GLN A 100 -69.725 36.557 57.162 1.00 0.00 O ATOM 1589 NE2 GLN A 100 -68.152 38.021 56.488 1.00 0.00 N ATOM 0 H GLN A 100 -71.045 37.752 51.945 1.00 0.00 H new ATOM 0 HA GLN A 100 -72.636 35.942 53.499 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -71.443 36.128 55.601 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -70.421 35.350 54.409 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -69.032 37.249 54.154 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -70.257 38.354 54.745 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -67.792 38.594 55.725 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -67.683 38.026 57.394 1.00 0.00 H new ATOM 1598 N LYS A 101 -73.347 38.010 54.958 1.00 0.00 N ATOM 1599 CA LYS A 101 -74.056 39.201 55.394 1.00 0.00 C ATOM 1600 C LYS A 101 -74.614 38.972 56.801 1.00 0.00 C ATOM 1601 O LYS A 101 -74.589 37.851 57.307 1.00 0.00 O ATOM 1602 CB LYS A 101 -75.120 39.597 54.368 1.00 0.00 C ATOM 1603 CG LYS A 101 -75.377 41.105 54.398 1.00 0.00 C ATOM 1604 CD LYS A 101 -76.723 41.419 55.054 1.00 0.00 C ATOM 1605 CE LYS A 101 -76.872 42.921 55.307 1.00 0.00 C ATOM 1606 NZ LYS A 101 -78.144 43.419 54.738 1.00 0.00 N ATOM 0 H LYS A 101 -73.523 37.178 55.522 1.00 0.00 H new ATOM 0 HA LYS A 101 -73.374 40.049 55.455 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -74.797 39.299 53.370 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -76.047 39.062 54.575 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -74.577 41.603 54.945 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -75.362 41.500 53.382 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -77.534 41.072 54.413 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -76.808 40.878 55.996 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -76.844 43.120 56.378 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -76.033 43.456 54.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -78.229 44.440 54.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -78.157 43.247 53.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -78.942 42.921 55.183 1.00 0.00 H new ATOM 1620 N ARG A 102 -75.103 40.052 57.392 1.00 0.00 N ATOM 1621 CA ARG A 102 -75.665 39.983 58.730 1.00 0.00 C ATOM 1622 C ARG A 102 -76.319 41.315 59.101 1.00 0.00 C ATOM 1623 O ARG A 102 -76.203 42.294 58.364 1.00 0.00 O ATOM 1624 CB ARG A 102 -74.588 39.646 59.763 1.00 0.00 C ATOM 1625 CG ARG A 102 -73.499 40.721 59.790 1.00 0.00 C ATOM 1626 CD ARG A 102 -72.924 40.884 61.198 1.00 0.00 C ATOM 1627 NE ARG A 102 -71.591 40.245 61.278 1.00 0.00 N ATOM 1628 CZ ARG A 102 -70.489 40.730 60.689 1.00 0.00 C ATOM 1629 NH1 ARG A 102 -70.554 41.861 59.974 1.00 0.00 N ATOM 1630 NH2 ARG A 102 -69.322 40.084 60.815 1.00 0.00 N ATOM 0 H ARG A 102 -75.122 40.980 56.969 1.00 0.00 H new ATOM 0 HA ARG A 102 -76.416 39.193 58.734 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -75.041 39.557 60.750 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -74.144 38.679 59.528 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -72.702 40.453 59.097 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -73.912 41.671 59.450 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -72.845 41.942 61.447 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -73.596 40.434 61.929 1.00 0.00 H new ATOM 0 HE ARG A 102 -71.506 39.382 61.815 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -71.442 42.353 59.878 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -69.715 42.230 59.526 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -69.272 39.223 61.359 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -68.484 40.453 60.367 1.00 0.00 H new ATOM 1644 N LYS A 103 -76.992 41.310 60.242 1.00 0.00 N ATOM 1645 CA LYS A 103 -77.665 42.507 60.719 1.00 0.00 C ATOM 1646 C LYS A 103 -77.990 42.345 62.205 1.00 0.00 C ATOM 1647 O LYS A 103 -77.768 41.281 62.781 1.00 0.00 O ATOM 1648 CB LYS A 103 -78.887 42.816 59.852 1.00 0.00 C ATOM 1649 CG LYS A 103 -78.868 44.270 59.376 1.00 0.00 C ATOM 1650 CD LYS A 103 -79.724 45.156 60.283 1.00 0.00 C ATOM 1651 CE LYS A 103 -78.885 46.273 60.907 1.00 0.00 C ATOM 1652 NZ LYS A 103 -78.486 47.258 59.877 1.00 0.00 N ATOM 0 H LYS A 103 -77.086 40.497 60.850 1.00 0.00 H new ATOM 0 HA LYS A 103 -77.011 43.374 60.628 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -78.905 42.148 58.991 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -79.798 42.628 60.420 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -77.842 44.639 59.364 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -79.239 44.326 58.352 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -80.542 45.589 59.708 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -80.173 44.550 61.070 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -79.456 46.769 61.692 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -77.997 45.850 61.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -77.917 48.009 60.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -77.924 46.783 59.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -79.336 47.674 59.447 1.00 0.00 H new ATOM 1666 N HIS A 104 -78.511 43.417 62.784 1.00 0.00 N ATOM 1667 CA HIS A 104 -78.868 43.408 64.192 1.00 0.00 C ATOM 1668 C HIS A 104 -79.682 44.661 64.524 1.00 0.00 C ATOM 1669 O HIS A 104 -79.660 45.635 63.774 1.00 0.00 O ATOM 1670 CB HIS A 104 -77.623 43.261 65.068 1.00 0.00 C ATOM 1671 CG HIS A 104 -77.689 42.109 66.042 1.00 0.00 C ATOM 1672 ND1 HIS A 104 -77.135 40.869 65.776 1.00 0.00 N ATOM 1673 CD2 HIS A 104 -78.249 42.022 67.283 1.00 0.00 C ATOM 1674 CE1 HIS A 104 -77.358 40.079 66.816 1.00 0.00 C ATOM 1675 NE2 HIS A 104 -78.049 40.795 67.749 1.00 0.00 N ATOM 0 H HIS A 104 -78.694 44.298 62.303 1.00 0.00 H new ATOM 0 HA HIS A 104 -79.495 42.542 64.405 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -76.753 43.130 64.425 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -77.472 44.186 65.625 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -78.767 42.817 67.799 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -77.047 39.049 66.909 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -78.361 40.445 68.655 1.00 0.00 H new ATOM 1683 N ASP A 105 -80.380 44.594 65.648 1.00 0.00 N ATOM 1684 CA ASP A 105 -81.199 45.711 66.088 1.00 0.00 C ATOM 1685 C ASP A 105 -81.787 45.395 67.464 1.00 0.00 C ATOM 1686 O ASP A 105 -82.328 44.312 67.679 1.00 0.00 O ATOM 1687 CB ASP A 105 -82.360 45.956 65.122 1.00 0.00 C ATOM 1688 CG ASP A 105 -82.460 47.383 64.580 1.00 0.00 C ATOM 1689 OD1 ASP A 105 -81.420 47.881 64.097 1.00 0.00 O ATOM 1690 OD2 ASP A 105 -83.574 47.944 64.661 1.00 0.00 O ATOM 0 H ASP A 105 -80.395 43.784 66.267 1.00 0.00 H new ATOM 0 HA ASP A 105 -80.568 46.599 66.125 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -82.264 45.270 64.281 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -83.293 45.710 65.629 1.00 0.00 H new ATOM 1695 N GLU A 106 -81.661 46.362 68.362 1.00 0.00 N ATOM 1696 CA GLU A 106 -82.173 46.201 69.712 1.00 0.00 C ATOM 1697 C GLU A 106 -83.100 47.364 70.070 1.00 0.00 C ATOM 1698 O GLU A 106 -82.822 48.512 69.728 1.00 0.00 O ATOM 1699 CB GLU A 106 -81.030 46.079 70.722 1.00 0.00 C ATOM 1700 CG GLU A 106 -81.568 45.853 72.136 1.00 0.00 C ATOM 1701 CD GLU A 106 -81.700 44.360 72.440 1.00 0.00 C ATOM 1702 OE1 GLU A 106 -82.778 43.809 72.128 1.00 0.00 O ATOM 1703 OE2 GLU A 106 -80.719 43.802 72.978 1.00 0.00 O ATOM 0 H GLU A 106 -81.212 47.260 68.181 1.00 0.00 H new ATOM 0 HA GLU A 106 -82.749 45.277 69.753 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -80.378 45.252 70.441 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -80.423 46.984 70.701 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -80.900 46.318 72.862 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -82.539 46.336 72.241 1.00 0.00 H new ATOM 1710 N ILE A 107 -84.183 47.027 70.755 1.00 0.00 N ATOM 1711 CA ILE A 107 -85.152 48.029 71.164 1.00 0.00 C ATOM 1712 C ILE A 107 -84.601 48.808 72.359 1.00 0.00 C ATOM 1713 O ILE A 107 -83.573 48.439 72.925 1.00 0.00 O ATOM 1714 CB ILE A 107 -86.513 47.382 71.427 1.00 0.00 C ATOM 1715 CG1 ILE A 107 -86.429 46.376 72.576 1.00 0.00 C ATOM 1716 CG2 ILE A 107 -87.075 46.750 70.152 1.00 0.00 C ATOM 1717 CD1 ILE A 107 -86.972 46.979 73.874 1.00 0.00 C ATOM 0 H ILE A 107 -84.411 46.074 71.037 1.00 0.00 H new ATOM 0 HA ILE A 107 -85.316 48.749 70.362 1.00 0.00 H new ATOM 0 HB ILE A 107 -87.209 48.163 71.733 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -86.996 45.480 72.322 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -85.393 46.068 72.719 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -88.043 46.297 70.367 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -87.195 47.518 69.388 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -86.388 45.984 69.792 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -86.901 46.243 74.675 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -86.388 47.860 74.138 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -88.015 47.264 73.735 1.00 0.00 H new ATOM 1729 N ASN A 108 -85.308 49.873 72.709 1.00 0.00 N ATOM 1730 CA ASN A 108 -84.902 50.708 73.826 1.00 0.00 C ATOM 1731 C ASN A 108 -86.102 51.525 74.309 1.00 0.00 C ATOM 1732 O ASN A 108 -86.993 51.849 73.525 1.00 0.00 O ATOM 1733 CB ASN A 108 -83.800 51.685 73.413 1.00 0.00 C ATOM 1734 CG ASN A 108 -84.199 52.460 72.155 1.00 0.00 C ATOM 1735 OD1 ASN A 108 -85.344 52.833 71.962 1.00 0.00 O ATOM 1736 ND2 ASN A 108 -83.192 52.681 71.314 1.00 0.00 N ATOM 0 H ASN A 108 -86.160 50.177 72.238 1.00 0.00 H new ATOM 0 HA ASN A 108 -84.527 50.056 74.615 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -83.603 52.382 74.227 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -82.874 51.139 73.230 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -83.355 53.191 70.446 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -82.257 52.341 71.538 1.00 0.00 H new ATOM 1743 N HIS A 109 -86.086 51.835 75.597 1.00 0.00 N ATOM 1744 CA HIS A 109 -87.162 52.608 76.194 1.00 0.00 C ATOM 1745 C HIS A 109 -86.815 52.934 77.648 1.00 0.00 C ATOM 1746 O HIS A 109 -86.078 52.192 78.295 1.00 0.00 O ATOM 1747 CB HIS A 109 -88.499 51.878 76.053 1.00 0.00 C ATOM 1748 CG HIS A 109 -89.698 52.795 76.013 1.00 0.00 C ATOM 1749 ND1 HIS A 109 -90.428 53.025 74.860 1.00 0.00 N ATOM 1750 CD2 HIS A 109 -90.287 53.535 76.996 1.00 0.00 C ATOM 1751 CE1 HIS A 109 -91.409 53.868 75.147 1.00 0.00 C ATOM 1752 NE2 HIS A 109 -91.320 54.183 76.471 1.00 0.00 N ATOM 0 H HIS A 109 -85.345 51.565 76.244 1.00 0.00 H new ATOM 0 HA HIS A 109 -87.273 53.553 75.663 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -88.481 51.281 75.141 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -88.612 51.185 76.886 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -89.967 53.585 78.026 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -92.149 54.240 74.454 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -91.944 54.813 76.975 1.00 0.00 H new ATOM 1760 N VAL A 110 -87.363 54.044 78.119 1.00 0.00 N ATOM 1761 CA VAL A 110 -87.121 54.477 79.485 1.00 0.00 C ATOM 1762 C VAL A 110 -88.272 55.375 79.943 1.00 0.00 C ATOM 1763 O VAL A 110 -88.819 56.140 79.151 1.00 0.00 O ATOM 1764 CB VAL A 110 -85.755 55.159 79.583 1.00 0.00 C ATOM 1765 CG1 VAL A 110 -85.891 56.678 79.462 1.00 0.00 C ATOM 1766 CG2 VAL A 110 -85.042 54.774 80.881 1.00 0.00 C ATOM 0 H VAL A 110 -87.974 54.657 77.579 1.00 0.00 H new ATOM 0 HA VAL A 110 -87.091 53.620 80.158 1.00 0.00 H new ATOM 0 HB VAL A 110 -85.145 54.810 78.750 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -84.906 57.138 79.535 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -86.338 56.928 78.500 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -86.526 57.052 80.265 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -84.074 55.272 80.926 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -85.648 55.081 81.734 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -84.896 53.694 80.910 1.00 0.00 H new ATOM 1776 N GLN A 111 -88.605 55.252 81.219 1.00 0.00 N ATOM 1777 CA GLN A 111 -89.681 56.043 81.792 1.00 0.00 C ATOM 1778 C GLN A 111 -89.145 56.936 82.912 1.00 0.00 C ATOM 1779 O GLN A 111 -87.962 56.877 83.246 1.00 0.00 O ATOM 1780 CB GLN A 111 -90.811 55.145 82.300 1.00 0.00 C ATOM 1781 CG GLN A 111 -90.483 54.582 83.685 1.00 0.00 C ATOM 1782 CD GLN A 111 -89.290 53.627 83.620 1.00 0.00 C ATOM 1783 OE1 GLN A 111 -88.135 54.179 83.979 1.00 0.00 O flip ATOM 1784 NE2 GLN A 111 -89.411 52.465 83.268 1.00 0.00 N flip ATOM 0 H GLN A 111 -88.148 54.616 81.873 1.00 0.00 H new ATOM 0 HA GLN A 111 -90.092 56.682 81.010 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -91.740 55.714 82.345 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -90.972 54.326 81.599 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -90.262 55.400 84.371 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -91.352 54.058 84.084 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -90.328 52.105 83.005 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -88.595 51.854 83.237 1.00 0.00 H new ATOM 1793 N LYS A 112 -90.040 57.744 83.461 1.00 0.00 N ATOM 1794 CA LYS A 112 -89.671 58.649 84.536 1.00 0.00 C ATOM 1795 C LYS A 112 -90.926 59.355 85.055 1.00 0.00 C ATOM 1796 O LYS A 112 -91.906 59.501 84.327 1.00 0.00 O ATOM 1797 CB LYS A 112 -88.572 59.609 84.076 1.00 0.00 C ATOM 1798 CG LYS A 112 -87.514 59.794 85.166 1.00 0.00 C ATOM 1799 CD LYS A 112 -87.674 61.148 85.860 1.00 0.00 C ATOM 1800 CE LYS A 112 -86.407 61.993 85.714 1.00 0.00 C ATOM 1801 NZ LYS A 112 -86.286 62.946 86.839 1.00 0.00 N ATOM 0 H LYS A 112 -91.020 57.791 83.181 1.00 0.00 H new ATOM 0 HA LYS A 112 -89.247 58.094 85.373 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -88.103 59.224 83.171 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -89.010 60.574 83.822 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -87.599 58.993 85.900 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -86.519 59.721 84.728 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -88.523 61.682 85.432 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -87.894 60.995 86.917 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -85.532 61.344 85.684 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -86.433 62.537 84.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -85.421 63.511 86.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -87.113 63.577 86.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -86.239 62.421 87.735 1.00 0.00 H new ATOM 1829 N TYR A 114 -92.410 61.947 88.781 1.00 0.00 N ATOM 1830 CA TYR A 114 -92.078 62.887 89.839 1.00 0.00 C ATOM 1831 C TYR A 114 -93.298 63.180 90.715 1.00 0.00 C ATOM 1832 O TYR A 114 -94.410 62.758 90.399 1.00 0.00 O ATOM 1833 CB TYR A 114 -91.647 64.176 89.138 1.00 0.00 C ATOM 1834 CG TYR A 114 -92.812 65.068 88.704 1.00 0.00 C ATOM 1835 CD1 TYR A 114 -93.366 65.962 89.598 1.00 0.00 C ATOM 1836 CD2 TYR A 114 -93.308 64.980 87.420 1.00 0.00 C ATOM 1837 CE1 TYR A 114 -94.463 66.801 89.190 1.00 0.00 C ATOM 1838 CE2 TYR A 114 -94.404 65.820 87.012 1.00 0.00 C ATOM 1839 CZ TYR A 114 -94.927 66.689 87.917 1.00 0.00 C ATOM 1840 OH TYR A 114 -95.963 67.482 87.532 1.00 0.00 O ATOM 0 HA TYR A 114 -91.298 62.480 90.483 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -90.999 64.742 89.807 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -91.053 63.919 88.261 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -92.977 66.032 90.603 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -92.874 64.281 86.720 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -94.907 67.503 89.880 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -94.802 65.761 86.010 1.00 0.00 H new ATOM 0 HH TYR A 114 -96.188 67.295 86.597 1.00 0.00 H new ATOM 1850 N ALA A 115 -93.049 63.901 91.798 1.00 0.00 N ATOM 1851 CA ALA A 115 -94.113 64.255 92.722 1.00 0.00 C ATOM 1852 C ALA A 115 -93.900 65.688 93.213 1.00 0.00 C ATOM 1853 O ALA A 115 -92.893 66.316 92.889 1.00 0.00 O ATOM 1854 CB ALA A 115 -94.151 63.245 93.870 1.00 0.00 C ATOM 0 H ALA A 115 -92.126 64.250 92.056 1.00 0.00 H new ATOM 0 HA ALA A 115 -95.082 64.217 92.224 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -94.949 63.511 94.563 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -94.334 62.247 93.471 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -93.196 63.256 94.396 1.00 0.00 H new ATOM 1860 N GLU A 116 -94.865 66.164 93.987 1.00 0.00 N ATOM 1861 CA GLU A 116 -94.795 67.512 94.526 1.00 0.00 C ATOM 1862 C GLU A 116 -95.226 67.519 95.994 1.00 0.00 C ATOM 1863 O GLU A 116 -96.239 66.920 96.350 1.00 0.00 O ATOM 1864 CB GLU A 116 -95.647 68.478 93.699 1.00 0.00 C ATOM 1865 CG GLU A 116 -94.806 69.167 92.623 1.00 0.00 C ATOM 1866 CD GLU A 116 -95.678 69.611 91.447 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -96.604 68.844 91.106 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -95.398 70.707 90.915 1.00 0.00 O ATOM 0 H GLU A 116 -95.699 65.641 94.253 1.00 0.00 H new ATOM 0 HA GLU A 116 -93.761 67.852 94.470 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -96.468 67.935 93.231 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -96.092 69.228 94.353 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -94.299 70.032 93.051 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -94.032 68.486 92.270 1.00 0.00 H new ATOM 1875 N MET A 117 -94.434 68.204 96.806 1.00 0.00 N ATOM 1876 CA MET A 117 -94.721 68.298 98.228 1.00 0.00 C ATOM 1877 C MET A 117 -95.177 69.709 98.603 1.00 0.00 C ATOM 1878 O MET A 117 -95.052 70.638 97.807 1.00 0.00 O ATOM 1879 CB MET A 117 -93.468 67.936 99.027 1.00 0.00 C ATOM 1880 CG MET A 117 -93.180 66.435 98.946 1.00 0.00 C ATOM 1881 SD MET A 117 -91.868 66.127 97.776 1.00 0.00 S ATOM 1882 CE MET A 117 -92.805 65.390 96.447 1.00 0.00 C ATOM 0 H MET A 117 -93.594 68.699 96.507 1.00 0.00 H new ATOM 0 HA MET A 117 -95.526 67.602 98.464 1.00 0.00 H new ATOM 0 HB2 MET A 117 -92.614 68.495 98.644 1.00 0.00 H new ATOM 0 HB3 MET A 117 -93.599 68.229 100.069 1.00 0.00 H new ATOM 0 HG2 MET A 117 -92.898 66.057 99.929 1.00 0.00 H new ATOM 0 HG3 MET A 117 -94.080 65.899 98.645 1.00 0.00 H new ATOM 0 HE1 MET A 117 -92.425 64.388 96.246 1.00 0.00 H new ATOM 0 HE2 MET A 117 -93.855 65.329 96.732 1.00 0.00 H new ATOM 0 HE3 MET A 117 -92.708 66.002 95.550 1.00 0.00 H new ATOM 1892 N ASP A 118 -95.696 69.825 99.817 1.00 0.00 N ATOM 1893 CA ASP A 118 -96.171 71.108 100.308 1.00 0.00 C ATOM 1894 C ASP A 118 -94.975 71.955 100.748 1.00 0.00 C ATOM 1895 O ASP A 118 -93.983 71.424 101.246 1.00 0.00 O ATOM 1896 CB ASP A 118 -97.093 70.928 101.516 1.00 0.00 C ATOM 1897 CG ASP A 118 -98.130 72.036 101.708 1.00 0.00 C ATOM 1898 OD1 ASP A 118 -99.152 71.988 100.990 1.00 0.00 O ATOM 1899 OD2 ASP A 118 -97.877 72.907 102.568 1.00 0.00 O ATOM 0 H ASP A 118 -95.798 69.052 100.475 1.00 0.00 H new ATOM 0 HA ASP A 118 -96.722 71.595 99.503 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -97.615 69.976 101.417 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -96.481 70.864 102.415 1.00 0.00 H new ATOM 1904 N PRO A 119 -95.113 73.292 100.545 1.00 0.00 N ATOM 1905 CA PRO A 119 -94.056 74.218 100.915 1.00 0.00 C ATOM 1906 C PRO A 119 -94.009 74.419 102.431 1.00 0.00 C ATOM 1907 O PRO A 119 -92.962 74.242 103.052 1.00 0.00 O ATOM 1908 CB PRO A 119 -94.369 75.497 100.156 1.00 0.00 C ATOM 1909 CG PRO A 119 -95.833 75.397 99.757 1.00 0.00 C ATOM 1910 CD PRO A 119 -96.273 73.957 99.958 1.00 0.00 C ATOM 0 HA PRO A 119 -93.064 73.849 100.655 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -94.193 76.374 100.779 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -93.731 75.596 99.278 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -96.440 76.070 100.362 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -95.967 75.695 98.717 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -97.139 73.896 100.617 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -96.558 73.495 99.013 1.00 0.00 H new ATOM 1918 N THR A 120 -95.156 74.786 102.983 1.00 0.00 N ATOM 1919 CA THR A 120 -95.260 75.013 104.414 1.00 0.00 C ATOM 1920 C THR A 120 -96.713 75.285 104.808 1.00 0.00 C ATOM 1921 O THR A 120 -97.539 75.611 103.957 1.00 0.00 O ATOM 1922 CB THR A 120 -94.307 76.152 104.783 1.00 0.00 C ATOM 1923 OG1 THR A 120 -94.310 76.160 106.208 1.00 0.00 O ATOM 1924 CG2 THR A 120 -94.862 77.526 104.401 1.00 0.00 C ATOM 0 H THR A 120 -96.022 74.932 102.464 1.00 0.00 H new ATOM 0 HA THR A 120 -94.965 74.127 104.977 1.00 0.00 H new ATOM 0 HB THR A 120 -93.348 75.997 104.288 1.00 0.00 H new ATOM 0 HG1 THR A 120 -93.716 76.868 106.532 1.00 0.00 H new ATOM 0 HG21 THR A 120 -94.147 78.299 104.684 1.00 0.00 H new ATOM 0 HG22 THR A 120 -95.030 77.564 103.325 1.00 0.00 H new ATOM 0 HG23 THR A 120 -95.805 77.695 104.921 1.00 0.00 H new ATOM 1932 N THR A 121 -96.980 75.141 106.097 1.00 0.00 N ATOM 1933 CA THR A 121 -98.319 75.367 106.614 1.00 0.00 C ATOM 1934 C THR A 121 -98.255 75.904 108.045 1.00 0.00 C ATOM 1935 O THR A 121 -97.770 75.221 108.947 1.00 0.00 O ATOM 1936 CB THR A 121 -99.101 74.058 106.490 1.00 0.00 C ATOM 1937 OG1 THR A 121 -98.297 73.106 107.180 1.00 0.00 O ATOM 1938 CG2 THR A 121 -99.145 73.536 105.053 1.00 0.00 C ATOM 0 H THR A 121 -96.292 74.870 106.799 1.00 0.00 H new ATOM 0 HA THR A 121 -98.842 76.130 106.038 1.00 0.00 H new ATOM 0 HB THR A 121 -100.118 74.208 106.853 1.00 0.00 H new ATOM 0 HG1 THR A 121 -97.876 73.534 107.954 1.00 0.00 H new ATOM 0 HG21 THR A 121 -99.712 72.605 105.021 1.00 0.00 H new ATOM 0 HG22 THR A 121 -99.625 74.275 104.412 1.00 0.00 H new ATOM 0 HG23 THR A 121 -98.130 73.355 104.701 1.00 0.00 H new ATOM 1946 N ALA A 122 -98.752 77.121 108.210 1.00 0.00 N ATOM 1947 CA ALA A 122 -98.757 77.757 109.516 1.00 0.00 C ATOM 1948 C ALA A 122 -99.454 79.115 109.415 1.00 0.00 C ATOM 1949 O ALA A 122 -99.561 79.682 108.329 1.00 0.00 O ATOM 1950 CB ALA A 122 -97.322 77.875 110.033 1.00 0.00 C ATOM 0 H ALA A 122 -99.154 77.684 107.460 1.00 0.00 H new ATOM 0 HA ALA A 122 -99.313 77.154 110.234 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -97.326 78.352 111.013 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -96.882 76.881 110.115 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -96.734 78.476 109.339 1.00 0.00 H new ATOM 1956 N ALA A 123 -99.910 79.597 110.562 1.00 0.00 N ATOM 1957 CA ALA A 123 -100.594 80.878 110.616 1.00 0.00 C ATOM 1958 C ALA A 123 -99.825 81.823 111.542 1.00 0.00 C ATOM 1959 O ALA A 123 -98.756 81.475 112.041 1.00 0.00 O ATOM 1960 CB ALA A 123 -102.040 80.667 111.068 1.00 0.00 C ATOM 0 H ALA A 123 -99.819 79.124 111.461 1.00 0.00 H new ATOM 0 HA ALA A 123 -100.626 81.338 109.628 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -102.553 81.628 111.108 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -102.550 80.013 110.361 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -102.049 80.209 112.057 1.00 0.00 H new ATOM 1966 N LEU A 124 -100.400 83.000 111.743 1.00 0.00 N ATOM 1967 CA LEU A 124 -99.782 83.997 112.601 1.00 0.00 C ATOM 1968 C LEU A 124 -100.467 83.982 113.969 1.00 0.00 C ATOM 1969 O LEU A 124 -100.308 83.034 114.736 1.00 0.00 O ATOM 1970 CB LEU A 124 -99.794 85.368 111.922 1.00 0.00 C ATOM 1971 CG LEU A 124 -101.076 85.734 111.171 1.00 0.00 C ATOM 1972 CD1 LEU A 124 -101.392 87.224 111.318 1.00 0.00 C ATOM 1973 CD2 LEU A 124 -100.993 85.307 109.704 1.00 0.00 C ATOM 0 H LEU A 124 -101.286 83.285 111.327 1.00 0.00 H new ATOM 0 HA LEU A 124 -98.732 83.758 112.768 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -99.611 86.129 112.681 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -98.961 85.411 111.221 1.00 0.00 H new ATOM 0 HG LEU A 124 -101.903 85.184 111.620 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -102.308 87.457 110.775 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -101.524 87.466 112.373 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -100.569 87.812 110.911 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -101.917 85.579 109.193 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -100.152 85.810 109.226 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -100.851 84.228 109.647 1.00 0.00 H new ATOM 1985 N GLU A 125 -101.214 85.043 114.233 1.00 0.00 N ATOM 1986 CA GLU A 125 -101.924 85.164 115.495 1.00 0.00 C ATOM 1987 C GLU A 125 -102.748 86.453 115.520 1.00 0.00 C ATOM 1988 O GLU A 125 -102.686 87.251 114.586 1.00 0.00 O ATOM 1989 CB GLU A 125 -100.954 85.111 116.677 1.00 0.00 C ATOM 1990 CG GLU A 125 -101.656 84.611 117.941 1.00 0.00 C ATOM 1991 CD GLU A 125 -100.791 83.588 118.681 1.00 0.00 C ATOM 1992 OE1 GLU A 125 -99.727 84.006 119.186 1.00 0.00 O ATOM 1993 OE2 GLU A 125 -101.213 82.413 118.724 1.00 0.00 O ATOM 0 H GLU A 125 -101.343 85.828 113.594 1.00 0.00 H new ATOM 0 HA GLU A 125 -102.606 84.318 115.588 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -100.118 84.454 116.437 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -100.538 86.103 116.856 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -101.872 85.453 118.598 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -102.612 84.160 117.676 1.00 0.00 H new ATOM 2000 N LYS A 126 -103.499 86.617 116.598 1.00 0.00 N ATOM 2001 CA LYS A 126 -104.334 87.795 116.757 1.00 0.00 C ATOM 2002 C LYS A 126 -103.784 88.655 117.897 1.00 0.00 C ATOM 2003 O LYS A 126 -102.914 88.215 118.647 1.00 0.00 O ATOM 2004 CB LYS A 126 -105.799 87.394 116.941 1.00 0.00 C ATOM 2005 CG LYS A 126 -106.644 87.837 115.745 1.00 0.00 C ATOM 2006 CD LYS A 126 -108.071 88.178 116.178 1.00 0.00 C ATOM 2007 CE LYS A 126 -108.110 89.501 116.945 1.00 0.00 C ATOM 2008 NZ LYS A 126 -108.884 90.514 116.193 1.00 0.00 N ATOM 0 H LYS A 126 -103.547 85.953 117.371 1.00 0.00 H new ATOM 0 HA LYS A 126 -104.306 88.405 115.854 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -105.871 86.313 117.061 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -106.191 87.843 117.854 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -106.186 88.706 115.274 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -106.667 87.044 114.998 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -108.715 88.243 115.301 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -108.465 87.378 116.805 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -108.559 89.346 117.926 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -107.095 89.861 117.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -108.900 91.406 116.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -108.439 90.674 115.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -109.858 90.175 116.055 1.00 0.00 H new ATOM 2022 N GLU A 127 -104.315 89.865 117.992 1.00 0.00 N ATOM 2023 CA GLU A 127 -103.888 90.790 119.028 1.00 0.00 C ATOM 2024 C GLU A 127 -105.006 91.787 119.343 1.00 0.00 C ATOM 2025 O GLU A 127 -105.329 92.643 118.520 1.00 0.00 O ATOM 2026 CB GLU A 127 -102.605 91.516 118.621 1.00 0.00 C ATOM 2027 CG GLU A 127 -101.834 92.000 119.851 1.00 0.00 C ATOM 2028 CD GLU A 127 -101.479 93.483 119.726 1.00 0.00 C ATOM 2029 OE1 GLU A 127 -100.868 93.836 118.695 1.00 0.00 O ATOM 2030 OE2 GLU A 127 -101.827 94.230 120.666 1.00 0.00 O ATOM 0 H GLU A 127 -105.037 90.226 117.369 1.00 0.00 H new ATOM 0 HA GLU A 127 -103.672 90.219 119.931 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -101.976 90.848 118.033 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -102.850 92.366 117.984 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -102.434 91.840 120.747 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -100.923 91.413 119.968 1.00 0.00 H new ATOM 2037 N SER A 128 -105.565 91.643 120.535 1.00 0.00 N ATOM 2038 CA SER A 128 -106.639 92.521 120.969 1.00 0.00 C ATOM 2039 C SER A 128 -106.165 93.393 122.132 1.00 0.00 C ATOM 2040 O SER A 128 -105.112 93.138 122.715 1.00 0.00 O ATOM 2041 CB SER A 128 -107.875 91.717 121.377 1.00 0.00 C ATOM 2042 OG SER A 128 -107.727 91.127 122.665 1.00 0.00 O ATOM 0 H SER A 128 -105.295 90.932 121.214 1.00 0.00 H new ATOM 0 HA SER A 128 -106.916 93.163 120.133 1.00 0.00 H new ATOM 0 HB2 SER A 128 -108.748 92.369 121.375 1.00 0.00 H new ATOM 0 HB3 SER A 128 -108.059 90.936 120.639 1.00 0.00 H new ATOM 0 HG SER A 128 -108.538 90.624 122.889 1.00 0.00 H new ATOM 2048 N GLY A 129 -106.965 94.405 122.436 1.00 0.00 N ATOM 2049 CA GLY A 129 -106.640 95.317 123.520 1.00 0.00 C ATOM 2050 C GLY A 129 -107.889 96.049 124.014 1.00 0.00 C ATOM 2051 O GLY A 129 -108.493 96.823 123.272 1.00 0.00 O ATOM 0 H GLY A 129 -107.837 94.613 121.950 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -106.189 94.763 124.343 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -105.900 96.042 123.181 1.00 0.00 H new ATOM 2055 N PRO A 130 -108.249 95.771 125.295 1.00 0.00 N ATOM 2056 CA PRO A 130 -109.416 96.394 125.897 1.00 0.00 C ATOM 2057 C PRO A 130 -109.134 97.854 126.256 1.00 0.00 C ATOM 2058 O PRO A 130 -108.063 98.377 125.951 1.00 0.00 O ATOM 2059 CB PRO A 130 -109.739 95.536 127.109 1.00 0.00 C ATOM 2060 CG PRO A 130 -108.477 94.744 127.408 1.00 0.00 C ATOM 2061 CD PRO A 130 -107.558 94.860 126.203 1.00 0.00 C ATOM 0 HA PRO A 130 -110.267 96.437 125.218 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -110.023 96.154 127.961 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -110.578 94.871 126.904 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -107.986 95.131 128.301 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -108.719 93.700 127.604 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -106.580 95.250 126.487 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -107.391 93.889 125.738 1.00 0.00 H new ATOM 2069 N SER A 131 -110.114 98.472 126.899 1.00 0.00 N ATOM 2070 CA SER A 131 -109.984 99.862 127.303 1.00 0.00 C ATOM 2071 C SER A 131 -110.576 100.059 128.700 1.00 0.00 C ATOM 2072 O SER A 131 -111.204 99.152 129.245 1.00 0.00 O ATOM 2073 CB SER A 131 -110.669 100.793 126.300 1.00 0.00 C ATOM 2074 OG SER A 131 -109.837 101.073 125.177 1.00 0.00 O ATOM 0 H SER A 131 -111.001 98.036 127.150 1.00 0.00 H new ATOM 0 HA SER A 131 -108.924 100.114 127.326 1.00 0.00 H new ATOM 0 HB2 SER A 131 -111.598 100.337 125.958 1.00 0.00 H new ATOM 0 HB3 SER A 131 -110.936 101.727 126.795 1.00 0.00 H new ATOM 0 HG SER A 131 -110.311 101.669 124.559 1.00 0.00 H new ATOM 2080 N SER A 132 -110.356 101.248 129.239 1.00 0.00 N ATOM 2081 CA SER A 132 -110.860 101.575 130.562 1.00 0.00 C ATOM 2082 C SER A 132 -111.984 102.608 130.453 1.00 0.00 C ATOM 2083 O SER A 132 -113.108 102.355 130.886 1.00 0.00 O ATOM 2084 CB SER A 132 -109.741 102.101 131.463 1.00 0.00 C ATOM 2085 OG SER A 132 -108.735 101.119 131.693 1.00 0.00 O ATOM 0 H SER A 132 -109.835 101.998 128.784 1.00 0.00 H new ATOM 0 HA SER A 132 -111.255 100.664 131.013 1.00 0.00 H new ATOM 0 HB2 SER A 132 -109.290 102.981 131.005 1.00 0.00 H new ATOM 0 HB3 SER A 132 -110.163 102.419 132.417 1.00 0.00 H new ATOM 0 HG SER A 132 -108.038 101.494 132.271 1.00 0.00 H new ATOM 2091 N GLY A 133 -111.642 103.749 129.874 1.00 0.00 N ATOM 2092 CA GLY A 133 -112.608 104.821 129.703 1.00 0.00 C ATOM 2093 C GLY A 133 -112.743 105.207 128.229 1.00 0.00 C ATOM 2094 O GLY A 133 -113.827 105.570 127.775 1.00 0.00 O ATOM 0 H GLY A 133 -110.709 103.955 129.517 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -113.577 104.507 130.091 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -112.299 105.690 130.283 1.00 0.00 H new