USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HE2:sc= -10.5! C(o=-11!,f=-15!) USER MOD Set 1.2: A 83 TYR OH : rot -27:sc= -0.0983 USER MOD Set 2.1: A 58 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0895 USER MOD Single : A 11 GLN : amide:sc= -0.98 K(o=-0.98,f=-1.8!) USER MOD Single : A 14 TYR OH : rot 130:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0275) USER MOD Single : A 37 GLN :FLIP amide:sc= -3.26! C(o=-4.3!,f=-3.3!) USER MOD Single : A 38 LYS NZ :NH3+ 137:sc= -2.02 (180deg=-2.3!) USER MOD Single : A 42 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 48 SER OG : rot -55:sc= 1.15 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.91) USER MOD Single : A 60 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 23:sc= 0.38 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc=-0.00399 K(o=-0.004,f=-1.1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 9.888 4.598 5.770 1.00 0.00 N ATOM 100 CA SER A 10 10.006 3.629 6.853 1.00 0.00 C ATOM 101 C SER A 10 9.198 4.072 8.069 1.00 0.00 C ATOM 102 O SER A 10 8.450 3.286 8.650 1.00 0.00 O ATOM 103 CB SER A 10 11.473 3.443 7.242 1.00 0.00 C ATOM 104 OG SER A 10 12.020 4.643 7.759 1.00 0.00 O ATOM 0 HA SER A 10 9.608 2.678 6.501 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.557 2.651 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.046 3.124 6.371 1.00 0.00 H new ATOM 0 HG SER A 10 12.958 4.497 8.002 1.00 0.00 H new ATOM 110 N GLN A 11 9.356 5.336 8.448 1.00 0.00 N ATOM 111 CA GLN A 11 8.642 5.884 9.595 1.00 0.00 C ATOM 112 C GLN A 11 7.140 5.654 9.463 1.00 0.00 C ATOM 113 O GLN A 11 6.412 5.657 10.455 1.00 0.00 O ATOM 114 CB GLN A 11 8.931 7.379 9.735 1.00 0.00 C ATOM 115 CG GLN A 11 10.205 7.683 10.507 1.00 0.00 C ATOM 116 CD GLN A 11 10.365 6.811 11.737 1.00 0.00 C ATOM 117 OE1 GLN A 11 10.841 5.679 11.651 1.00 0.00 O ATOM 118 NE2 GLN A 11 9.966 7.335 12.890 1.00 0.00 N ATOM 0 H GLN A 11 9.972 5.999 7.978 1.00 0.00 H new ATOM 0 HA GLN A 11 8.992 5.368 10.489 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.004 7.821 8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.090 7.858 10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.065 7.542 9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.202 8.731 10.807 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.577 8.278 12.914 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.048 6.795 13.751 1.00 0.00 H new ATOM 127 N ARG A 12 6.684 5.456 8.230 1.00 0.00 N ATOM 128 CA ARG A 12 5.268 5.226 7.968 1.00 0.00 C ATOM 129 C ARG A 12 4.891 3.775 8.251 1.00 0.00 C ATOM 130 O ARG A 12 5.710 2.862 8.140 1.00 0.00 O ATOM 131 CB ARG A 12 4.933 5.578 6.517 1.00 0.00 C ATOM 132 CG ARG A 12 5.372 6.976 6.112 1.00 0.00 C ATOM 133 CD ARG A 12 4.312 8.012 6.451 1.00 0.00 C ATOM 134 NE ARG A 12 4.896 9.323 6.724 1.00 0.00 N ATOM 135 CZ ARG A 12 5.718 9.564 7.740 1.00 0.00 C ATOM 136 NH1 ARG A 12 6.051 8.588 8.573 1.00 0.00 N ATOM 137 NH2 ARG A 12 6.209 10.783 7.922 1.00 0.00 N ATOM 0 H ARG A 12 7.274 5.450 7.398 1.00 0.00 H new ATOM 0 HA ARG A 12 4.692 5.869 8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.408 4.852 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.857 5.487 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.304 7.227 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.576 6.999 5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.607 8.094 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.745 7.679 7.320 1.00 0.00 H new ATOM 0 HE ARG A 12 4.660 10.095 6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.676 7.649 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.682 8.776 9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.956 11.536 7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.840 10.967 8.702 1.00 0.00 H new ATOM 151 N PRO A 13 3.622 3.555 8.625 1.00 0.00 N ATOM 152 CA PRO A 13 3.107 2.218 8.932 1.00 0.00 C ATOM 153 C PRO A 13 2.996 1.341 7.690 1.00 0.00 C ATOM 154 O PRO A 13 2.621 1.813 6.616 1.00 0.00 O ATOM 155 CB PRO A 13 1.720 2.496 9.517 1.00 0.00 C ATOM 156 CG PRO A 13 1.320 3.808 8.934 1.00 0.00 C ATOM 157 CD PRO A 13 2.591 4.596 8.778 1.00 0.00 C ATOM 0 HA PRO A 13 3.767 1.673 9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.013 1.711 9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.751 2.539 10.606 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.824 3.673 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.617 4.327 9.586 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.552 5.253 7.910 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.782 5.226 9.647 1.00 0.00 H new ATOM 165 N TYR A 14 3.321 0.062 7.843 1.00 0.00 N ATOM 166 CA TYR A 14 3.259 -0.881 6.732 1.00 0.00 C ATOM 167 C TYR A 14 1.967 -0.705 5.940 1.00 0.00 C ATOM 168 O TYR A 14 1.991 -0.346 4.763 1.00 0.00 O ATOM 169 CB TYR A 14 3.363 -2.317 7.248 1.00 0.00 C ATOM 170 CG TYR A 14 3.859 -3.299 6.211 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.021 -3.050 5.490 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.167 -4.474 5.951 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.478 -3.943 4.541 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.617 -5.374 5.004 1.00 0.00 C ATOM 175 CZ TYR A 14 4.773 -5.104 4.302 1.00 0.00 C ATOM 176 OH TYR A 14 5.224 -5.998 3.358 1.00 0.00 O ATOM 0 H TYR A 14 3.630 -0.346 8.725 1.00 0.00 H new ATOM 0 HA TYR A 14 4.100 -0.679 6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.035 -2.338 8.106 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.383 -2.639 7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.576 -2.142 5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.261 -4.688 6.498 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.382 -3.733 3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.067 -6.284 4.815 1.00 0.00 H new ATOM 0 HH TYR A 14 5.250 -6.898 3.745 1.00 0.00 H new ATOM 186 N ARG A 15 0.840 -0.960 6.596 1.00 0.00 N ATOM 187 CA ARG A 15 -0.463 -0.831 5.955 1.00 0.00 C ATOM 188 C ARG A 15 -0.460 0.310 4.942 1.00 0.00 C ATOM 189 O ARG A 15 -0.686 0.097 3.751 1.00 0.00 O ATOM 190 CB ARG A 15 -1.551 -0.594 7.004 1.00 0.00 C ATOM 191 CG ARG A 15 -2.752 0.172 6.474 1.00 0.00 C ATOM 192 CD ARG A 15 -3.969 -0.013 7.366 1.00 0.00 C ATOM 193 NE ARG A 15 -4.343 -1.419 7.496 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.232 -1.865 8.377 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.836 -1.019 9.199 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.519 -3.159 8.435 1.00 0.00 N ATOM 0 H ARG A 15 0.803 -1.257 7.571 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.674 -1.761 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.886 -1.556 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.122 -0.045 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.507 1.232 6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.985 -0.167 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.761 0.400 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.808 0.549 6.956 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.897 -2.096 6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.619 -0.023 9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.518 -1.364 9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.057 -3.813 7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.202 -3.500 9.112 1.00 0.00 H new ATOM 210 N ASP A 16 -0.204 1.521 5.424 1.00 0.00 N ATOM 211 CA ASP A 16 -0.171 2.697 4.562 1.00 0.00 C ATOM 212 C ASP A 16 0.658 2.429 3.310 1.00 0.00 C ATOM 213 O ASP A 16 0.194 2.639 2.189 1.00 0.00 O ATOM 214 CB ASP A 16 0.400 3.896 5.320 1.00 0.00 C ATOM 215 CG ASP A 16 -0.659 4.638 6.111 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.258 4.026 7.021 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.889 5.831 5.822 1.00 0.00 O ATOM 0 H ASP A 16 -0.016 1.714 6.408 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.193 2.923 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.183 3.555 5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.867 4.581 4.612 1.00 0.00 H new ATOM 222 N ARG A 17 1.888 1.965 3.509 1.00 0.00 N ATOM 223 CA ARG A 17 2.782 1.670 2.396 1.00 0.00 C ATOM 224 C ARG A 17 2.147 0.667 1.438 1.00 0.00 C ATOM 225 O ARG A 17 2.406 0.692 0.234 1.00 0.00 O ATOM 226 CB ARG A 17 4.113 1.123 2.915 1.00 0.00 C ATOM 227 CG ARG A 17 4.765 2.004 3.969 1.00 0.00 C ATOM 228 CD ARG A 17 5.769 1.225 4.803 1.00 0.00 C ATOM 229 NE ARG A 17 7.100 1.231 4.203 1.00 0.00 N ATOM 230 CZ ARG A 17 8.082 0.422 4.586 1.00 0.00 C ATOM 231 NH1 ARG A 17 7.883 -0.452 5.562 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.267 0.487 3.991 1.00 0.00 N ATOM 0 H ARG A 17 2.287 1.786 4.430 1.00 0.00 H new ATOM 0 HA ARG A 17 2.964 2.598 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.949 0.130 3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.800 1.006 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.265 2.843 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.998 2.423 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.820 1.655 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.427 0.196 4.915 1.00 0.00 H new ATOM 0 HE ARG A 17 7.286 1.892 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.974 -0.505 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.639 -1.072 5.854 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.424 1.158 3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.020 -0.134 4.286 1.00 0.00 H new ATOM 246 N VAL A 18 1.314 -0.216 1.980 1.00 0.00 N ATOM 247 CA VAL A 18 0.641 -1.227 1.174 1.00 0.00 C ATOM 248 C VAL A 18 -0.513 -0.621 0.383 1.00 0.00 C ATOM 249 O VAL A 18 -0.531 -0.675 -0.847 1.00 0.00 O ATOM 250 CB VAL A 18 0.103 -2.375 2.049 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.642 -3.392 1.197 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.238 -3.038 2.815 1.00 0.00 C ATOM 0 H VAL A 18 1.089 -0.251 2.974 1.00 0.00 H new ATOM 0 HA VAL A 18 1.382 -1.625 0.481 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.599 -1.959 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.015 -4.195 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.480 -2.905 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.035 -3.805 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.840 -3.847 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.966 -3.441 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.723 -2.302 3.456 1.00 0.00 H new ATOM 262 N ILE A 19 -1.473 -0.044 1.097 1.00 0.00 N ATOM 263 CA ILE A 19 -2.630 0.573 0.461 1.00 0.00 C ATOM 264 C ILE A 19 -2.203 1.648 -0.532 1.00 0.00 C ATOM 265 O ILE A 19 -2.702 1.703 -1.657 1.00 0.00 O ATOM 266 CB ILE A 19 -3.577 1.200 1.502 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.864 2.318 2.265 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.085 0.136 2.464 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.687 2.900 3.392 1.00 0.00 C ATOM 0 H ILE A 19 -1.473 0.009 2.116 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.158 -0.219 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.432 1.630 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.929 1.931 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.603 3.114 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.753 0.594 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.626 -0.629 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.241 -0.320 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.119 3.687 3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.610 3.317 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.926 2.116 4.111 1.00 0.00 H new ATOM 281 N HIS A 20 -1.275 2.501 -0.110 1.00 0.00 N ATOM 282 CA HIS A 20 -0.778 3.574 -0.964 1.00 0.00 C ATOM 283 C HIS A 20 -0.289 3.023 -2.300 1.00 0.00 C ATOM 284 O HIS A 20 -0.291 3.726 -3.312 1.00 0.00 O ATOM 285 CB HIS A 20 0.354 4.328 -0.265 1.00 0.00 C ATOM 286 CG HIS A 20 -0.124 5.406 0.658 1.00 0.00 C ATOM 287 ND1 HIS A 20 -0.098 5.287 2.032 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.641 6.629 0.398 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.580 6.389 2.576 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.917 7.221 1.606 1.00 0.00 N ATOM 0 H HIS A 20 -0.852 2.470 0.818 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.600 4.264 -1.155 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.957 3.618 0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.005 4.770 -1.019 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.241 4.474 2.547 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.806 7.060 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.682 6.579 3.634 1.00 0.00 H new ATOM 298 N LEU A 21 0.130 1.763 -2.297 1.00 0.00 N ATOM 299 CA LEU A 21 0.622 1.117 -3.509 1.00 0.00 C ATOM 300 C LEU A 21 -0.526 0.506 -4.305 1.00 0.00 C ATOM 301 O LEU A 21 -0.614 0.680 -5.522 1.00 0.00 O ATOM 302 CB LEU A 21 1.645 0.035 -3.155 1.00 0.00 C ATOM 303 CG LEU A 21 3.024 0.532 -2.719 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.914 -0.638 -2.330 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.670 1.351 -3.827 1.00 0.00 C ATOM 0 H LEU A 21 0.139 1.168 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 21 1.104 1.876 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.232 -0.579 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.772 -0.614 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 21 2.899 1.173 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.891 -0.265 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.457 -1.184 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.032 -1.305 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.651 1.697 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.782 0.733 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.041 2.211 -4.058 1.00 0.00 H new ATOM 317 N LEU A 22 -1.406 -0.208 -3.612 1.00 0.00 N ATOM 318 CA LEU A 22 -2.551 -0.844 -4.254 1.00 0.00 C ATOM 319 C LEU A 22 -3.483 0.200 -4.862 1.00 0.00 C ATOM 320 O LEU A 22 -4.132 -0.049 -5.877 1.00 0.00 O ATOM 321 CB LEU A 22 -3.316 -1.701 -3.245 1.00 0.00 C ATOM 322 CG LEU A 22 -2.595 -2.954 -2.745 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.269 -3.494 -1.493 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.556 -4.016 -3.833 1.00 0.00 C ATOM 0 H LEU A 22 -1.349 -0.361 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.179 -1.483 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.562 -1.080 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.259 -2.006 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.570 -2.684 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.742 -4.385 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.244 -2.736 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.305 -3.748 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.039 -4.900 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.574 -4.283 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.027 -3.627 -4.703 1.00 0.00 H new ATOM 336 N ALA A 23 -3.543 1.370 -4.233 1.00 0.00 N ATOM 337 CA ALA A 23 -4.392 2.453 -4.714 1.00 0.00 C ATOM 338 C ALA A 23 -4.203 2.675 -6.211 1.00 0.00 C ATOM 339 O ALA A 23 -5.128 2.475 -7.000 1.00 0.00 O ATOM 340 CB ALA A 23 -4.097 3.734 -3.948 1.00 0.00 C ATOM 0 H ALA A 23 -3.014 1.592 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.431 2.171 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.738 4.535 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.289 3.576 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.052 4.011 -4.090 1.00 0.00 H new ATOM 346 N LEU A 24 -3.002 3.089 -6.596 1.00 0.00 N ATOM 347 CA LEU A 24 -2.692 3.339 -8.000 1.00 0.00 C ATOM 348 C LEU A 24 -3.252 2.231 -8.887 1.00 0.00 C ATOM 349 O LEU A 24 -3.927 2.498 -9.881 1.00 0.00 O ATOM 350 CB LEU A 24 -1.179 3.450 -8.197 1.00 0.00 C ATOM 351 CG LEU A 24 -0.528 4.733 -7.680 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.922 4.814 -8.131 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.304 5.953 -8.152 1.00 0.00 C ATOM 0 H LEU A 24 -2.226 3.259 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.160 4.281 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.705 2.601 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.964 3.360 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.548 4.714 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.369 5.734 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.472 3.957 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.965 4.810 -9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.826 6.857 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.316 5.977 -9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.327 5.900 -7.779 1.00 0.00 H new ATOM 365 N LYS A 25 -2.968 0.986 -8.519 1.00 0.00 N ATOM 366 CA LYS A 25 -3.446 -0.164 -9.278 1.00 0.00 C ATOM 367 C LYS A 25 -3.376 -1.436 -8.439 1.00 0.00 C ATOM 368 O LYS A 25 -2.825 -1.436 -7.339 1.00 0.00 O ATOM 369 CB LYS A 25 -2.620 -0.337 -10.555 1.00 0.00 C ATOM 370 CG LYS A 25 -1.203 -0.822 -10.302 1.00 0.00 C ATOM 371 CD LYS A 25 -0.669 -1.621 -11.478 1.00 0.00 C ATOM 372 CE LYS A 25 0.617 -2.351 -11.119 1.00 0.00 C ATOM 373 NZ LYS A 25 1.099 -3.208 -12.237 1.00 0.00 N ATOM 0 H LYS A 25 -2.409 0.748 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.487 0.017 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.126 -1.045 -11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.580 0.615 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.553 0.033 -10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.183 -1.438 -9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.420 -2.342 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.487 -0.953 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.387 -1.624 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.450 -2.967 -10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.977 -3.688 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.375 -3.918 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.283 -2.617 -13.073 1.00 0.00 H new ATOM 387 N ALA A 26 -3.939 -2.519 -8.966 1.00 0.00 N ATOM 388 CA ALA A 26 -3.937 -3.798 -8.267 1.00 0.00 C ATOM 389 C ALA A 26 -2.534 -4.392 -8.212 1.00 0.00 C ATOM 390 O ALA A 26 -1.831 -4.443 -9.222 1.00 0.00 O ATOM 391 CB ALA A 26 -4.897 -4.768 -8.940 1.00 0.00 C ATOM 0 H ALA A 26 -4.402 -2.536 -9.875 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.270 -3.625 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.886 -5.719 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.905 -4.354 -8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.589 -4.927 -9.973 1.00 0.00 H new ATOM 397 N TYR A 27 -2.132 -4.838 -7.027 1.00 0.00 N ATOM 398 CA TYR A 27 -0.810 -5.425 -6.840 1.00 0.00 C ATOM 399 C TYR A 27 -0.914 -6.806 -6.199 1.00 0.00 C ATOM 400 O TYR A 27 -1.669 -7.007 -5.248 1.00 0.00 O ATOM 401 CB TYR A 27 0.059 -4.512 -5.974 1.00 0.00 C ATOM 402 CG TYR A 27 0.827 -3.478 -6.765 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.239 -2.273 -7.126 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.142 -3.707 -7.151 1.00 0.00 C ATOM 405 CE1 TYR A 27 0.938 -1.326 -7.850 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.849 -2.765 -7.873 1.00 0.00 C ATOM 407 CZ TYR A 27 2.242 -1.577 -8.221 1.00 0.00 C ATOM 408 OH TYR A 27 2.942 -0.635 -8.941 1.00 0.00 O ATOM 0 H TYR A 27 -2.702 -4.804 -6.182 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.346 -5.533 -7.820 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.575 -4.004 -5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.764 -5.123 -5.410 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.782 -2.073 -6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.620 -4.638 -6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.465 -0.394 -8.124 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.871 -2.958 -8.163 1.00 0.00 H new ATOM 0 HH TYR A 27 3.847 -0.966 -9.121 1.00 0.00 H new ATOM 418 N LYS A 28 -0.148 -7.755 -6.727 1.00 0.00 N ATOM 419 CA LYS A 28 -0.150 -9.117 -6.208 1.00 0.00 C ATOM 420 C LYS A 28 0.718 -9.224 -4.958 1.00 0.00 C ATOM 421 O LYS A 28 1.627 -8.421 -4.750 1.00 0.00 O ATOM 422 CB LYS A 28 0.352 -10.093 -7.275 1.00 0.00 C ATOM 423 CG LYS A 28 -0.398 -9.992 -8.592 1.00 0.00 C ATOM 424 CD LYS A 28 0.048 -11.065 -9.571 1.00 0.00 C ATOM 425 CE LYS A 28 0.044 -12.444 -8.927 1.00 0.00 C ATOM 426 NZ LYS A 28 0.243 -13.525 -9.931 1.00 0.00 N ATOM 0 H LYS A 28 0.482 -7.605 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.175 -9.376 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.411 -9.909 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.266 -11.111 -6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.469 -10.086 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.235 -9.008 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.613 -11.065 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.050 -10.835 -9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.832 -12.496 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.902 -12.600 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.234 -14.449 -9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.523 -13.491 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.157 -13.391 -10.409 1.00 0.00 H new ATOM 440 N LYS A 29 0.432 -10.222 -4.128 1.00 0.00 N ATOM 441 CA LYS A 29 1.187 -10.436 -2.900 1.00 0.00 C ATOM 442 C LYS A 29 2.680 -10.224 -3.134 1.00 0.00 C ATOM 443 O LYS A 29 3.337 -9.447 -2.441 1.00 0.00 O ATOM 444 CB LYS A 29 0.941 -11.849 -2.365 1.00 0.00 C ATOM 445 CG LYS A 29 1.994 -12.317 -1.376 1.00 0.00 C ATOM 446 CD LYS A 29 1.661 -11.883 0.041 1.00 0.00 C ATOM 447 CE LYS A 29 2.920 -11.641 0.860 1.00 0.00 C ATOM 448 NZ LYS A 29 3.753 -12.871 0.974 1.00 0.00 N ATOM 0 H LYS A 29 -0.318 -10.895 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 29 0.845 -9.709 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.037 -11.881 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.907 -12.545 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.074 -13.403 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.966 -11.915 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.063 -10.972 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.053 -12.648 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.507 -10.847 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.644 -11.296 1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.575 -12.678 1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.186 -13.637 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.080 -13.158 0.029 1.00 0.00 H new ATOM 462 N PRO A 30 3.228 -10.928 -4.135 1.00 0.00 N ATOM 463 CA PRO A 30 4.648 -10.832 -4.486 1.00 0.00 C ATOM 464 C PRO A 30 5.002 -9.486 -5.108 1.00 0.00 C ATOM 465 O PRO A 30 5.948 -8.825 -4.683 1.00 0.00 O ATOM 466 CB PRO A 30 4.840 -11.959 -5.504 1.00 0.00 C ATOM 467 CG PRO A 30 3.490 -12.164 -6.100 1.00 0.00 C ATOM 468 CD PRO A 30 2.504 -11.873 -5.003 1.00 0.00 C ATOM 0 HA PRO A 30 5.290 -10.917 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.571 -11.685 -6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.204 -12.868 -5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.334 -11.501 -6.951 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.376 -13.184 -6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.585 -11.436 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.223 -12.778 -4.465 1.00 0.00 H new ATOM 476 N GLU A 31 4.235 -9.086 -6.118 1.00 0.00 N ATOM 477 CA GLU A 31 4.468 -7.818 -6.799 1.00 0.00 C ATOM 478 C GLU A 31 4.493 -6.662 -5.803 1.00 0.00 C ATOM 479 O GLU A 31 5.513 -5.991 -5.638 1.00 0.00 O ATOM 480 CB GLU A 31 3.388 -7.574 -7.854 1.00 0.00 C ATOM 481 CG GLU A 31 3.739 -6.473 -8.841 1.00 0.00 C ATOM 482 CD GLU A 31 2.669 -6.273 -9.897 1.00 0.00 C ATOM 483 OE1 GLU A 31 1.598 -5.727 -9.560 1.00 0.00 O ATOM 484 OE2 GLU A 31 2.903 -6.664 -11.060 1.00 0.00 O ATOM 0 H GLU A 31 3.447 -9.622 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 31 5.439 -7.872 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.212 -8.499 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.454 -7.318 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.889 -5.539 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.684 -6.714 -9.328 1.00 0.00 H new ATOM 491 N LEU A 32 3.364 -6.435 -5.141 1.00 0.00 N ATOM 492 CA LEU A 32 3.254 -5.360 -4.161 1.00 0.00 C ATOM 493 C LEU A 32 4.523 -5.257 -3.322 1.00 0.00 C ATOM 494 O LEU A 32 5.056 -4.166 -3.115 1.00 0.00 O ATOM 495 CB LEU A 32 2.045 -5.593 -3.253 1.00 0.00 C ATOM 496 CG LEU A 32 1.367 -4.338 -2.702 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.355 -4.705 -1.629 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.404 -3.370 -2.151 1.00 0.00 C ATOM 0 H LEU A 32 2.511 -6.981 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 32 3.120 -4.422 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.304 -6.168 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.361 -6.210 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 32 0.838 -3.847 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.117 -3.799 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.406 -5.359 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.861 -5.220 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.904 -2.483 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.962 -3.852 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.091 -3.081 -2.947 1.00 0.00 H new ATOM 510 N LEU A 33 5.004 -6.399 -2.843 1.00 0.00 N ATOM 511 CA LEU A 33 6.213 -6.437 -2.028 1.00 0.00 C ATOM 512 C LEU A 33 7.370 -5.741 -2.737 1.00 0.00 C ATOM 513 O LEU A 33 7.920 -4.762 -2.233 1.00 0.00 O ATOM 514 CB LEU A 33 6.592 -7.885 -1.711 1.00 0.00 C ATOM 515 CG LEU A 33 6.008 -8.465 -0.422 1.00 0.00 C ATOM 516 CD1 LEU A 33 6.119 -9.982 -0.421 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.709 -7.876 0.793 1.00 0.00 C ATOM 0 H LEU A 33 4.576 -7.310 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 33 6.011 -5.908 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.276 -8.513 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.679 -7.951 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 33 4.952 -8.199 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.698 -10.377 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.571 -10.388 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.168 -10.270 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.281 -8.300 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.772 -8.111 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.577 -6.794 0.800 1.00 0.00 H new ATOM 529 N ALA A 34 7.733 -6.252 -3.909 1.00 0.00 N ATOM 530 CA ALA A 34 8.822 -5.676 -4.688 1.00 0.00 C ATOM 531 C ALA A 34 8.900 -4.166 -4.491 1.00 0.00 C ATOM 532 O ALA A 34 9.974 -3.617 -4.243 1.00 0.00 O ATOM 533 CB ALA A 34 8.649 -6.009 -6.163 1.00 0.00 C ATOM 0 H ALA A 34 7.289 -7.063 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 34 9.757 -6.111 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.469 -5.573 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.651 -7.091 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.703 -5.602 -6.519 1.00 0.00 H new ATOM 539 N ARG A 35 7.756 -3.499 -4.604 1.00 0.00 N ATOM 540 CA ARG A 35 7.695 -2.052 -4.440 1.00 0.00 C ATOM 541 C ARG A 35 8.139 -1.645 -3.038 1.00 0.00 C ATOM 542 O ARG A 35 8.907 -0.696 -2.869 1.00 0.00 O ATOM 543 CB ARG A 35 6.276 -1.546 -4.704 1.00 0.00 C ATOM 544 CG ARG A 35 5.951 -1.387 -6.181 1.00 0.00 C ATOM 545 CD ARG A 35 7.019 -0.578 -6.902 1.00 0.00 C ATOM 546 NE ARG A 35 6.472 0.162 -8.036 1.00 0.00 N ATOM 547 CZ ARG A 35 7.197 0.552 -9.077 1.00 0.00 C ATOM 548 NH1 ARG A 35 8.493 0.274 -9.129 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.627 1.222 -10.071 1.00 0.00 N ATOM 0 H ARG A 35 6.858 -3.938 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 35 8.374 -1.601 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.563 -2.239 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.143 -0.586 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.863 -2.370 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.984 -0.896 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.480 0.119 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.806 -1.246 -7.251 1.00 0.00 H new ATOM 0 HE ARG A 35 5.478 0.392 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.935 -0.241 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.047 0.575 -9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.631 1.438 -10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.185 1.521 -10.870 1.00 0.00 H new ATOM 563 N LEU A 36 7.650 -2.367 -2.036 1.00 0.00 N ATOM 564 CA LEU A 36 7.996 -2.081 -0.647 1.00 0.00 C ATOM 565 C LEU A 36 9.418 -2.536 -0.335 1.00 0.00 C ATOM 566 O LEU A 36 10.259 -1.737 0.076 1.00 0.00 O ATOM 567 CB LEU A 36 7.009 -2.770 0.297 1.00 0.00 C ATOM 568 CG LEU A 36 5.555 -2.304 0.205 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.630 -3.307 0.876 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.396 -0.926 0.831 1.00 0.00 C ATOM 0 H LEU A 36 7.013 -3.154 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 36 7.939 -1.003 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.039 -3.842 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.353 -2.622 1.321 1.00 0.00 H new ATOM 0 HG LEU A 36 5.281 -2.236 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.600 -2.959 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.723 -4.274 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.903 -3.408 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.355 -0.610 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.689 -0.967 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.030 -0.212 0.305 1.00 0.00 H new ATOM 582 N GLN A 37 9.679 -3.824 -0.535 1.00 0.00 N ATOM 583 CA GLN A 37 11.000 -4.384 -0.276 1.00 0.00 C ATOM 584 C GLN A 37 12.096 -3.438 -0.755 1.00 0.00 C ATOM 585 O GLN A 37 13.169 -3.361 -0.157 1.00 0.00 O ATOM 586 CB GLN A 37 11.145 -5.742 -0.965 1.00 0.00 C ATOM 587 CG GLN A 37 10.321 -6.844 -0.317 1.00 0.00 C ATOM 588 CD GLN A 37 11.097 -7.610 0.736 1.00 0.00 C ATOM 589 OE1 GLN A 37 12.068 -6.948 1.355 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 10.828 -8.785 0.990 1.00 0.00 N flip ATOM 0 H GLN A 37 8.994 -4.499 -0.875 1.00 0.00 H new ATOM 0 HA GLN A 37 11.106 -4.517 0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.848 -5.644 -2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.195 -6.033 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.432 -6.408 0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.979 -7.536 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.073 -9.255 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.360 -9.288 1.700 1.00 0.00 H new ATOM 599 N LYS A 38 11.819 -2.720 -1.837 1.00 0.00 N ATOM 600 CA LYS A 38 12.780 -1.777 -2.398 1.00 0.00 C ATOM 601 C LYS A 38 13.408 -0.924 -1.300 1.00 0.00 C ATOM 602 O LYS A 38 14.630 -0.876 -1.161 1.00 0.00 O ATOM 603 CB LYS A 38 12.100 -0.878 -3.432 1.00 0.00 C ATOM 604 CG LYS A 38 12.178 -1.416 -4.851 1.00 0.00 C ATOM 605 CD LYS A 38 11.701 -0.388 -5.863 1.00 0.00 C ATOM 606 CE LYS A 38 10.187 -0.243 -5.840 1.00 0.00 C ATOM 607 NZ LYS A 38 9.749 1.080 -6.364 1.00 0.00 N ATOM 0 H LYS A 38 10.936 -2.773 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 38 13.569 -2.348 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.053 -0.751 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.560 0.110 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.205 -1.701 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.571 -2.318 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.163 0.576 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.024 -0.682 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.737 -1.037 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.826 -0.367 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.929 0.951 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.485 1.698 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.527 1.517 -6.898 1.00 0.00 H new ATOM 621 N ASP A 39 12.564 -0.253 -0.524 1.00 0.00 N ATOM 622 CA ASP A 39 13.037 0.597 0.563 1.00 0.00 C ATOM 623 C ASP A 39 13.415 -0.240 1.782 1.00 0.00 C ATOM 624 O ASP A 39 14.201 0.192 2.624 1.00 0.00 O ATOM 625 CB ASP A 39 11.964 1.618 0.944 1.00 0.00 C ATOM 626 CG ASP A 39 11.989 2.843 0.051 1.00 0.00 C ATOM 627 OD1 ASP A 39 13.088 3.389 -0.177 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.908 3.257 -0.420 1.00 0.00 O ATOM 0 H ASP A 39 11.550 -0.281 -0.627 1.00 0.00 H new ATOM 0 HA ASP A 39 13.925 1.126 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.982 1.148 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.109 1.924 1.980 1.00 0.00 H new ATOM 633 N GLY A 40 12.849 -1.440 1.869 1.00 0.00 N ATOM 634 CA GLY A 40 13.138 -2.317 2.988 1.00 0.00 C ATOM 635 C GLY A 40 11.881 -2.831 3.662 1.00 0.00 C ATOM 636 O GLY A 40 11.046 -2.047 4.114 1.00 0.00 O ATOM 0 H GLY A 40 12.195 -1.820 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.731 -3.162 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.745 -1.781 3.718 1.00 0.00 H new ATOM 640 N VAL A 41 11.745 -4.151 3.728 1.00 0.00 N ATOM 641 CA VAL A 41 10.580 -4.769 4.351 1.00 0.00 C ATOM 642 C VAL A 41 10.994 -5.714 5.473 1.00 0.00 C ATOM 643 O VAL A 41 11.941 -6.486 5.331 1.00 0.00 O ATOM 644 CB VAL A 41 9.740 -5.548 3.322 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.809 -6.525 4.022 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.955 -4.589 2.440 1.00 0.00 C ATOM 0 H VAL A 41 12.427 -4.813 3.358 1.00 0.00 H new ATOM 0 HA VAL A 41 9.976 -3.961 4.764 1.00 0.00 H new ATOM 0 HB VAL A 41 10.416 -6.120 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.224 -7.066 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.397 -7.233 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.138 -5.978 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.367 -5.157 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.289 -3.988 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.646 -3.934 1.910 1.00 0.00 H new ATOM 656 N ASN A 42 10.276 -5.649 6.590 1.00 0.00 N ATOM 657 CA ASN A 42 10.569 -6.499 7.738 1.00 0.00 C ATOM 658 C ASN A 42 9.938 -7.878 7.567 1.00 0.00 C ATOM 659 O ASN A 42 8.736 -7.997 7.337 1.00 0.00 O ATOM 660 CB ASN A 42 10.058 -5.848 9.025 1.00 0.00 C ATOM 661 CG ASN A 42 11.087 -4.931 9.656 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.254 -4.927 9.266 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.657 -4.147 10.638 1.00 0.00 N ATOM 0 H ASN A 42 9.487 -5.016 6.724 1.00 0.00 H new ATOM 0 HA ASN A 42 11.650 -6.618 7.804 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.154 -5.280 8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.782 -6.625 9.738 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.304 -3.508 11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.680 -4.183 10.929 1.00 0.00 H new ATOM 670 N GLN A 43 10.760 -8.917 7.684 1.00 0.00 N ATOM 671 CA GLN A 43 10.283 -10.287 7.542 1.00 0.00 C ATOM 672 C GLN A 43 9.003 -10.503 8.344 1.00 0.00 C ATOM 673 O GLN A 43 8.036 -11.080 7.846 1.00 0.00 O ATOM 674 CB GLN A 43 11.358 -11.274 8.000 1.00 0.00 C ATOM 675 CG GLN A 43 11.978 -10.919 9.342 1.00 0.00 C ATOM 676 CD GLN A 43 13.187 -11.772 9.670 1.00 0.00 C ATOM 677 OE1 GLN A 43 14.122 -11.877 8.875 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.176 -12.388 10.847 1.00 0.00 N ATOM 0 H GLN A 43 11.758 -8.835 7.877 1.00 0.00 H new ATOM 0 HA GLN A 43 10.065 -10.462 6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.921 -12.271 8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.144 -11.318 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.270 -9.869 9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.230 -11.038 10.126 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.381 -12.273 11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.963 -12.976 11.122 1.00 0.00 H new ATOM 687 N LYS A 44 9.005 -10.038 9.588 1.00 0.00 N ATOM 688 CA LYS A 44 7.845 -10.179 10.460 1.00 0.00 C ATOM 689 C LYS A 44 6.613 -9.532 9.835 1.00 0.00 C ATOM 690 O LYS A 44 5.484 -9.950 10.090 1.00 0.00 O ATOM 691 CB LYS A 44 8.128 -9.550 11.826 1.00 0.00 C ATOM 692 CG LYS A 44 8.895 -8.242 11.746 1.00 0.00 C ATOM 693 CD LYS A 44 8.806 -7.462 13.047 1.00 0.00 C ATOM 694 CE LYS A 44 9.867 -7.911 14.040 1.00 0.00 C ATOM 695 NZ LYS A 44 9.752 -7.190 15.338 1.00 0.00 N ATOM 0 H LYS A 44 9.798 -9.560 10.016 1.00 0.00 H new ATOM 0 HA LYS A 44 7.648 -11.243 10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.182 -9.376 12.339 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.694 -10.257 12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.940 -8.446 11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.500 -7.637 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.924 -6.398 12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.817 -7.595 13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.774 -8.984 14.211 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.857 -7.740 13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.492 -7.524 15.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.866 -6.169 15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.817 -7.373 15.755 1.00 0.00 H new ATOM 709 N ASP A 45 6.839 -8.511 9.016 1.00 0.00 N ATOM 710 CA ASP A 45 5.747 -7.807 8.353 1.00 0.00 C ATOM 711 C ASP A 45 5.338 -8.524 7.070 1.00 0.00 C ATOM 712 O ASP A 45 4.195 -8.419 6.624 1.00 0.00 O ATOM 713 CB ASP A 45 6.156 -6.367 8.038 1.00 0.00 C ATOM 714 CG ASP A 45 6.260 -5.510 9.284 1.00 0.00 C ATOM 715 OD1 ASP A 45 6.709 -6.030 10.327 1.00 0.00 O ATOM 716 OD2 ASP A 45 5.892 -4.319 9.217 1.00 0.00 O ATOM 0 H ASP A 45 7.768 -8.152 8.795 1.00 0.00 H new ATOM 0 HA ASP A 45 4.893 -7.794 9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.116 -6.370 7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.428 -5.926 7.357 1.00 0.00 H new ATOM 721 N LYS A 46 6.280 -9.253 6.480 1.00 0.00 N ATOM 722 CA LYS A 46 6.019 -9.989 5.248 1.00 0.00 C ATOM 723 C LYS A 46 4.843 -10.944 5.424 1.00 0.00 C ATOM 724 O LYS A 46 3.928 -10.975 4.602 1.00 0.00 O ATOM 725 CB LYS A 46 7.265 -10.769 4.822 1.00 0.00 C ATOM 726 CG LYS A 46 8.355 -9.895 4.226 1.00 0.00 C ATOM 727 CD LYS A 46 9.189 -10.659 3.211 1.00 0.00 C ATOM 728 CE LYS A 46 10.328 -11.413 3.880 1.00 0.00 C ATOM 729 NZ LYS A 46 11.200 -12.097 2.886 1.00 0.00 N ATOM 0 H LYS A 46 7.231 -9.350 6.835 1.00 0.00 H new ATOM 0 HA LYS A 46 5.766 -9.269 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.666 -11.297 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.978 -11.526 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.905 -9.025 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.000 -9.523 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.554 -11.361 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.594 -9.965 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.926 -10.719 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.919 -12.149 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.964 -12.599 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.635 -12.778 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.611 -11.392 2.241 1.00 0.00 H new ATOM 743 N ASN A 47 4.874 -11.722 6.501 1.00 0.00 N ATOM 744 CA ASN A 47 3.810 -12.678 6.784 1.00 0.00 C ATOM 745 C ASN A 47 2.494 -11.960 7.066 1.00 0.00 C ATOM 746 O ASN A 47 1.418 -12.468 6.752 1.00 0.00 O ATOM 747 CB ASN A 47 4.190 -13.557 7.978 1.00 0.00 C ATOM 748 CG ASN A 47 3.304 -14.782 8.099 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.625 -15.167 7.148 1.00 0.00 O ATOM 750 ND2 ASN A 47 3.308 -15.400 9.275 1.00 0.00 N ATOM 0 H ASN A 47 5.624 -11.709 7.192 1.00 0.00 H new ATOM 0 HA ASN A 47 3.678 -13.308 5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.229 -13.872 7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.121 -12.970 8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.732 -16.230 9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.887 -15.045 10.036 1.00 0.00 H new ATOM 757 N SER A 48 2.588 -10.774 7.659 1.00 0.00 N ATOM 758 CA SER A 48 1.405 -9.986 7.985 1.00 0.00 C ATOM 759 C SER A 48 0.818 -9.343 6.733 1.00 0.00 C ATOM 760 O SER A 48 -0.398 -9.188 6.612 1.00 0.00 O ATOM 761 CB SER A 48 1.753 -8.906 9.012 1.00 0.00 C ATOM 762 OG SER A 48 2.157 -7.707 8.373 1.00 0.00 O ATOM 0 H SER A 48 3.471 -10.338 7.923 1.00 0.00 H new ATOM 0 HA SER A 48 0.659 -10.656 8.411 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.888 -8.710 9.646 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.552 -9.262 9.663 1.00 0.00 H new ATOM 0 HG SER A 48 2.902 -7.895 7.765 1.00 0.00 H new ATOM 768 N LEU A 49 1.690 -8.971 5.802 1.00 0.00 N ATOM 769 CA LEU A 49 1.259 -8.344 4.557 1.00 0.00 C ATOM 770 C LEU A 49 0.010 -9.025 4.008 1.00 0.00 C ATOM 771 O LEU A 49 -1.020 -8.384 3.802 1.00 0.00 O ATOM 772 CB LEU A 49 2.382 -8.400 3.520 1.00 0.00 C ATOM 773 CG LEU A 49 2.290 -7.390 2.376 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.260 -7.755 1.262 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.867 -7.316 1.843 1.00 0.00 C ATOM 0 H LEU A 49 2.699 -9.093 5.886 1.00 0.00 H new ATOM 0 HA LEU A 49 1.019 -7.302 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.332 -8.251 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.405 -9.402 3.092 1.00 0.00 H new ATOM 0 HG LEU A 49 2.564 -6.408 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.180 -7.025 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.278 -7.756 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.018 -8.746 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.820 -6.592 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.565 -8.296 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.194 -7.006 2.643 1.00 0.00 H new ATOM 787 N GLY A 50 0.107 -10.331 3.776 1.00 0.00 N ATOM 788 CA GLY A 50 -1.023 -11.078 3.255 1.00 0.00 C ATOM 789 C GLY A 50 -2.307 -10.786 4.006 1.00 0.00 C ATOM 790 O GLY A 50 -3.385 -10.746 3.414 1.00 0.00 O ATOM 0 H GLY A 50 0.948 -10.885 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.159 -10.836 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.807 -12.145 3.312 1.00 0.00 H new ATOM 794 N ALA A 51 -2.192 -10.582 5.314 1.00 0.00 N ATOM 795 CA ALA A 51 -3.353 -10.291 6.147 1.00 0.00 C ATOM 796 C ALA A 51 -3.896 -8.895 5.863 1.00 0.00 C ATOM 797 O ALA A 51 -5.106 -8.704 5.733 1.00 0.00 O ATOM 798 CB ALA A 51 -2.995 -10.431 7.619 1.00 0.00 C ATOM 0 H ALA A 51 -1.307 -10.613 5.820 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.133 -11.012 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.871 -10.211 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.662 -11.450 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.195 -9.733 7.867 1.00 0.00 H new ATOM 804 N ILE A 52 -2.996 -7.922 5.769 1.00 0.00 N ATOM 805 CA ILE A 52 -3.386 -6.544 5.500 1.00 0.00 C ATOM 806 C ILE A 52 -4.074 -6.422 4.145 1.00 0.00 C ATOM 807 O ILE A 52 -5.133 -5.805 4.027 1.00 0.00 O ATOM 808 CB ILE A 52 -2.171 -5.598 5.534 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.490 -5.657 6.903 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.599 -4.174 5.211 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.056 -5.175 6.885 1.00 0.00 C ATOM 0 H ILE A 52 -1.991 -8.063 5.875 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.083 -6.254 6.286 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.456 -5.922 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.059 -5.053 7.609 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.515 -6.684 7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.729 -3.517 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.044 -4.145 4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.331 -3.838 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.364 -5.245 7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.527 -5.794 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.025 -4.138 6.550 1.00 0.00 H new ATOM 823 N LEU A 53 -3.465 -7.015 3.124 1.00 0.00 N ATOM 824 CA LEU A 53 -4.020 -6.974 1.775 1.00 0.00 C ATOM 825 C LEU A 53 -5.514 -7.280 1.791 1.00 0.00 C ATOM 826 O LEU A 53 -6.277 -6.731 0.997 1.00 0.00 O ATOM 827 CB LEU A 53 -3.293 -7.974 0.873 1.00 0.00 C ATOM 828 CG LEU A 53 -1.933 -7.527 0.335 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.074 -8.732 -0.013 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.110 -6.627 -0.879 1.00 0.00 C ATOM 0 H LEU A 53 -2.588 -7.529 3.204 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.878 -5.968 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.154 -8.901 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.939 -8.205 0.026 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.425 -6.958 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.110 -8.394 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.919 -9.338 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.576 -9.329 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.132 -6.318 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.639 -7.171 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.686 -5.746 -0.598 1.00 0.00 H new ATOM 842 N GLN A 54 -5.923 -8.158 2.701 1.00 0.00 N ATOM 843 CA GLN A 54 -7.327 -8.535 2.820 1.00 0.00 C ATOM 844 C GLN A 54 -8.069 -7.582 3.752 1.00 0.00 C ATOM 845 O GLN A 54 -9.294 -7.479 3.700 1.00 0.00 O ATOM 846 CB GLN A 54 -7.449 -9.970 3.336 1.00 0.00 C ATOM 847 CG GLN A 54 -8.833 -10.310 3.865 1.00 0.00 C ATOM 848 CD GLN A 54 -9.147 -11.790 3.768 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.296 -12.334 2.673 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.250 -12.451 4.915 1.00 0.00 N ATOM 0 H GLN A 54 -5.303 -8.621 3.366 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.780 -8.472 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.197 -10.660 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.718 -10.126 4.129 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.908 -9.994 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.580 -9.746 3.306 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.119 -11.961 5.800 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.460 -13.449 4.911 1.00 0.00 H new ATOM 859 N GLN A 55 -7.318 -6.889 4.601 1.00 0.00 N ATOM 860 CA GLN A 55 -7.906 -5.945 5.545 1.00 0.00 C ATOM 861 C GLN A 55 -8.121 -4.584 4.891 1.00 0.00 C ATOM 862 O GLN A 55 -8.968 -3.803 5.323 1.00 0.00 O ATOM 863 CB GLN A 55 -7.010 -5.797 6.776 1.00 0.00 C ATOM 864 CG GLN A 55 -7.032 -7.009 7.693 1.00 0.00 C ATOM 865 CD GLN A 55 -6.750 -6.651 9.139 1.00 0.00 C ATOM 866 OE1 GLN A 55 -7.232 -5.637 9.645 1.00 0.00 O ATOM 867 NE2 GLN A 55 -5.964 -7.483 9.813 1.00 0.00 N ATOM 0 H GLN A 55 -6.302 -6.963 4.655 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.875 -6.336 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.986 -5.617 6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.324 -4.919 7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.006 -7.493 7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.292 -7.733 7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.586 -8.312 9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.738 -7.293 10.789 1.00 0.00 H new ATOM 876 N VAL A 56 -7.348 -4.306 3.846 1.00 0.00 N ATOM 877 CA VAL A 56 -7.454 -3.040 3.131 1.00 0.00 C ATOM 878 C VAL A 56 -7.749 -3.266 1.653 1.00 0.00 C ATOM 879 O VAL A 56 -8.289 -2.391 0.977 1.00 0.00 O ATOM 880 CB VAL A 56 -6.163 -2.210 3.265 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.832 -1.969 4.730 1.00 0.00 C ATOM 882 CG2 VAL A 56 -5.009 -2.903 2.556 1.00 0.00 C ATOM 0 H VAL A 56 -6.641 -4.941 3.476 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.279 -2.490 3.583 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.323 -1.242 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.917 -1.381 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.651 -1.427 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.691 -2.926 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.105 -2.303 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.846 -3.885 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.248 -3.018 1.499 1.00 0.00 H new ATOM 892 N ALA A 57 -7.391 -4.446 1.158 1.00 0.00 N ATOM 893 CA ALA A 57 -7.620 -4.789 -0.241 1.00 0.00 C ATOM 894 C ALA A 57 -8.417 -6.083 -0.365 1.00 0.00 C ATOM 895 O ALA A 57 -8.741 -6.722 0.635 1.00 0.00 O ATOM 896 CB ALA A 57 -6.295 -4.909 -0.978 1.00 0.00 C ATOM 0 H ALA A 57 -6.941 -5.181 1.704 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.204 -3.989 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.481 -5.165 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.763 -3.959 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.690 -5.689 -0.515 1.00 0.00 H new ATOM 902 N ASN A 58 -8.731 -6.463 -1.600 1.00 0.00 N ATOM 903 CA ASN A 58 -9.491 -7.681 -1.855 1.00 0.00 C ATOM 904 C ASN A 58 -8.767 -8.574 -2.857 1.00 0.00 C ATOM 905 O ASN A 58 -8.340 -8.117 -3.918 1.00 0.00 O ATOM 906 CB ASN A 58 -10.887 -7.335 -2.378 1.00 0.00 C ATOM 907 CG ASN A 58 -11.789 -6.776 -1.295 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.979 -7.398 -0.249 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.349 -5.598 -1.541 1.00 0.00 N ATOM 0 H ASN A 58 -8.471 -5.945 -2.439 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.587 -8.224 -0.915 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.799 -6.608 -3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.345 -8.229 -2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.966 -5.172 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.163 -5.119 -2.422 1.00 0.00 H new ATOM 916 N LEU A 59 -8.633 -9.851 -2.514 1.00 0.00 N ATOM 917 CA LEU A 59 -7.961 -10.810 -3.384 1.00 0.00 C ATOM 918 C LEU A 59 -8.883 -11.260 -4.513 1.00 0.00 C ATOM 919 O LEU A 59 -10.033 -11.628 -4.279 1.00 0.00 O ATOM 920 CB LEU A 59 -7.497 -12.023 -2.575 1.00 0.00 C ATOM 921 CG LEU A 59 -6.276 -12.765 -3.120 1.00 0.00 C ATOM 922 CD1 LEU A 59 -6.067 -14.072 -2.370 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.430 -13.023 -4.611 1.00 0.00 C ATOM 0 H LEU A 59 -8.981 -10.246 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.092 -10.319 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.274 -11.694 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.325 -12.728 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.397 -12.138 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.194 -14.586 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.910 -13.863 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.947 -14.704 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.552 -13.552 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.319 -13.629 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.530 -12.073 -5.136 1.00 0.00 H new ATOM 935 N ASN A 60 -8.368 -11.230 -5.738 1.00 0.00 N ATOM 936 CA ASN A 60 -9.144 -11.636 -6.904 1.00 0.00 C ATOM 937 C ASN A 60 -8.620 -12.950 -7.475 1.00 0.00 C ATOM 938 O ASN A 60 -7.676 -12.963 -8.264 1.00 0.00 O ATOM 939 CB ASN A 60 -9.099 -10.546 -7.977 1.00 0.00 C ATOM 940 CG ASN A 60 -10.353 -10.523 -8.830 1.00 0.00 C ATOM 941 OD1 ASN A 60 -10.308 -10.810 -10.026 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.479 -10.180 -8.216 1.00 0.00 N ATOM 0 H ASN A 60 -7.417 -10.929 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.177 -11.784 -6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.970 -9.575 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.231 -10.705 -8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.355 -10.146 -8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.468 -9.950 -7.222 1.00 0.00 H new ATOM 949 N SER A 61 -9.241 -14.054 -7.070 1.00 0.00 N ATOM 950 CA SER A 61 -8.835 -15.374 -7.539 1.00 0.00 C ATOM 951 C SER A 61 -8.564 -15.358 -9.040 1.00 0.00 C ATOM 952 O SER A 61 -7.806 -16.180 -9.556 1.00 0.00 O ATOM 953 CB SER A 61 -9.916 -16.407 -7.215 1.00 0.00 C ATOM 954 OG SER A 61 -9.456 -17.723 -7.469 1.00 0.00 O ATOM 0 H SER A 61 -10.026 -14.060 -6.419 1.00 0.00 H new ATOM 0 HA SER A 61 -7.914 -15.648 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.208 -16.316 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.805 -16.207 -7.813 1.00 0.00 H new ATOM 0 HG SER A 61 -10.164 -18.365 -7.253 1.00 0.00 H new ATOM 960 N LYS A 62 -9.190 -14.416 -9.738 1.00 0.00 N ATOM 961 CA LYS A 62 -9.017 -14.289 -11.180 1.00 0.00 C ATOM 962 C LYS A 62 -7.538 -14.280 -11.552 1.00 0.00 C ATOM 963 O LYS A 62 -7.050 -15.195 -12.215 1.00 0.00 O ATOM 964 CB LYS A 62 -9.688 -13.009 -11.684 1.00 0.00 C ATOM 965 CG LYS A 62 -10.085 -13.068 -13.149 1.00 0.00 C ATOM 966 CD LYS A 62 -11.433 -13.744 -13.336 1.00 0.00 C ATOM 967 CE LYS A 62 -12.053 -13.390 -14.679 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.003 -14.438 -15.145 1.00 0.00 N ATOM 0 H LYS A 62 -9.822 -13.729 -9.328 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.488 -15.150 -11.654 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.576 -12.813 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.010 -12.169 -11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.124 -12.058 -13.557 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.324 -13.610 -13.711 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.312 -14.825 -13.264 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.106 -13.444 -12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.575 -12.437 -14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.264 -13.259 -15.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.404 -14.159 -16.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.500 -15.342 -15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.770 -14.545 -14.451 1.00 0.00 H new ATOM 982 N ASP A 63 -6.830 -13.242 -11.120 1.00 0.00 N ATOM 983 CA ASP A 63 -5.406 -13.116 -11.406 1.00 0.00 C ATOM 984 C ASP A 63 -4.589 -13.141 -10.118 1.00 0.00 C ATOM 985 O ASP A 63 -3.407 -12.793 -10.113 1.00 0.00 O ATOM 986 CB ASP A 63 -5.130 -11.823 -12.175 1.00 0.00 C ATOM 987 CG ASP A 63 -3.725 -11.775 -12.742 1.00 0.00 C ATOM 988 OD1 ASP A 63 -2.818 -11.283 -12.038 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.533 -12.229 -13.889 1.00 0.00 O ATOM 0 H ASP A 63 -7.219 -12.476 -10.571 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.108 -13.965 -12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.850 -11.726 -12.988 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.281 -10.971 -11.513 1.00 0.00 H new ATOM 994 N LEU A 64 -5.226 -13.551 -9.027 1.00 0.00 N ATOM 995 CA LEU A 64 -4.559 -13.620 -7.732 1.00 0.00 C ATOM 996 C LEU A 64 -3.973 -12.265 -7.348 1.00 0.00 C ATOM 997 O LEU A 64 -3.021 -12.186 -6.573 1.00 0.00 O ATOM 998 CB LEU A 64 -3.453 -14.676 -7.761 1.00 0.00 C ATOM 999 CG LEU A 64 -3.892 -16.115 -7.485 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -2.895 -17.099 -8.078 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.049 -16.347 -5.990 1.00 0.00 C ATOM 0 H LEU A 64 -6.204 -13.841 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.301 -13.900 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.974 -14.645 -8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.696 -14.401 -7.027 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.859 -16.278 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.223 -18.118 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.833 -16.949 -9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.914 -16.937 -7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.362 -17.376 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.097 -16.166 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.801 -15.665 -5.593 1.00 0.00 H new ATOM 1013 N SER A 65 -4.551 -11.200 -7.896 1.00 0.00 N ATOM 1014 CA SER A 65 -4.085 -9.847 -7.612 1.00 0.00 C ATOM 1015 C SER A 65 -4.949 -9.189 -6.541 1.00 0.00 C ATOM 1016 O SER A 65 -6.162 -9.393 -6.494 1.00 0.00 O ATOM 1017 CB SER A 65 -4.102 -9.002 -8.888 1.00 0.00 C ATOM 1018 OG SER A 65 -5.404 -8.515 -9.160 1.00 0.00 O ATOM 0 H SER A 65 -5.342 -11.248 -8.538 1.00 0.00 H new ATOM 0 HA SER A 65 -3.062 -9.911 -7.240 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.412 -8.165 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.751 -9.600 -9.729 1.00 0.00 H new ATOM 0 HG SER A 65 -5.388 -7.977 -9.979 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.315 -8.398 -5.683 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.024 -7.710 -4.610 1.00 0.00 C ATOM 1026 C TYR A 66 -5.437 -6.306 -5.042 1.00 0.00 C ATOM 1027 O TYR A 66 -4.610 -5.514 -5.494 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.147 -7.633 -3.359 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.037 -8.945 -2.615 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.042 -9.364 -1.753 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -2.928 -9.766 -2.777 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.945 -10.562 -1.071 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.823 -10.967 -2.100 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.834 -11.360 -1.248 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.734 -12.554 -0.572 1.00 0.00 O ATOM 0 H TYR A 66 -3.312 -8.217 -5.709 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.925 -8.279 -4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.149 -7.302 -3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.553 -6.877 -2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.914 -8.743 -1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.134 -9.461 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.735 -10.872 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.954 -11.594 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.891 -12.995 -0.809 1.00 0.00 H new ATOM 1045 N THR A 67 -6.724 -6.005 -4.899 1.00 0.00 N ATOM 1046 CA THR A 67 -7.249 -4.698 -5.274 1.00 0.00 C ATOM 1047 C THR A 67 -7.619 -3.880 -4.041 1.00 0.00 C ATOM 1048 O THR A 67 -8.403 -4.324 -3.201 1.00 0.00 O ATOM 1049 CB THR A 67 -8.488 -4.830 -6.180 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.546 -5.485 -5.471 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.155 -5.612 -7.441 1.00 0.00 C ATOM 0 H THR A 67 -7.422 -6.649 -4.526 1.00 0.00 H new ATOM 0 HA THR A 67 -6.459 -4.185 -5.823 1.00 0.00 H new ATOM 0 HB THR A 67 -8.809 -3.829 -6.467 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.406 -5.382 -4.507 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.045 -5.692 -8.065 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.370 -5.095 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.811 -6.610 -7.170 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.052 -2.684 -3.939 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.323 -1.802 -2.809 1.00 0.00 C ATOM 1061 C LEU A 68 -8.821 -1.555 -2.659 1.00 0.00 C ATOM 1062 O LEU A 68 -9.500 -1.189 -3.618 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.590 -0.471 -2.988 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.165 0.238 -1.702 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.096 1.742 -1.920 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.124 -0.094 -0.567 1.00 0.00 C ATOM 0 H LEU A 68 -6.401 -2.302 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.961 -2.290 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.701 -0.647 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.233 0.202 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.171 -0.115 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.792 2.230 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.370 1.963 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.077 2.112 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.806 0.419 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.130 0.231 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.124 -1.170 -0.394 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.329 -1.754 -1.447 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.746 -1.549 -1.169 1.00 0.00 C ATOM 1080 C LYS A 69 -11.200 -0.172 -1.642 1.00 0.00 C ATOM 1081 O LYS A 69 -10.434 0.565 -2.263 1.00 0.00 O ATOM 1082 CB LYS A 69 -11.019 -1.701 0.329 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.129 -3.146 0.784 1.00 0.00 C ATOM 1084 CD LYS A 69 -11.010 -3.267 2.294 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.700 -4.695 2.717 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.941 -5.489 2.937 1.00 0.00 N ATOM 0 H LYS A 69 -8.781 -2.057 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.311 -2.305 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.220 -1.213 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.944 -1.180 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.084 -3.559 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.348 -3.739 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.224 -2.602 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.940 -2.942 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.091 -5.177 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.109 -4.683 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.688 -6.456 3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.510 -5.044 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.493 -5.522 2.056 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.449 0.168 -1.343 1.00 0.00 N ATOM 1101 CA ASP A 70 -13.004 1.458 -1.736 1.00 0.00 C ATOM 1102 C ASP A 70 -12.923 2.458 -0.586 1.00 0.00 C ATOM 1103 O ASP A 70 -12.538 3.611 -0.779 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.457 1.297 -2.185 1.00 0.00 C ATOM 1105 CG ASP A 70 -14.592 0.390 -3.393 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.222 -0.798 -3.287 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.068 0.868 -4.443 1.00 0.00 O ATOM 0 H ASP A 70 -13.096 -0.431 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.414 1.840 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.046 0.892 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.872 2.277 -2.422 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.288 2.008 0.609 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.260 2.863 1.789 1.00 0.00 C ATOM 1114 C TYR A 71 -11.831 3.282 2.125 1.00 0.00 C ATOM 1115 O TYR A 71 -11.560 4.454 2.385 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.885 2.141 2.984 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.881 1.399 3.836 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.467 0.116 3.498 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.346 1.979 4.979 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.550 -0.567 4.274 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.428 1.305 5.760 1.00 0.00 C ATOM 1122 CZ TYR A 71 -11.033 0.032 5.404 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.120 -0.644 6.180 1.00 0.00 O ATOM 0 H TYR A 71 -13.607 1.055 0.786 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.841 3.759 1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.408 2.869 3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.633 1.436 2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.869 -0.355 2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.653 2.975 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.240 -1.564 3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.021 1.772 6.645 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.855 -0.082 6.937 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.920 2.314 2.116 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.519 2.580 2.417 1.00 0.00 C ATOM 1135 C VAL A 72 -9.027 3.826 1.688 1.00 0.00 C ATOM 1136 O VAL A 72 -8.207 4.581 2.211 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.625 1.387 2.030 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.171 1.678 2.367 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.099 0.120 2.726 1.00 0.00 C ATOM 0 H VAL A 72 -11.128 1.338 1.903 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.452 2.741 3.493 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.699 1.233 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.555 0.824 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.840 2.560 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.075 1.859 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.457 -0.713 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.055 0.260 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.126 -0.096 2.430 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.535 4.036 0.478 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.147 5.191 -0.324 1.00 0.00 C ATOM 1151 C PHE A 73 -9.178 6.467 0.511 1.00 0.00 C ATOM 1152 O PHE A 73 -8.341 7.354 0.343 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.076 5.335 -1.531 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.807 4.332 -2.617 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.515 4.099 -3.059 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.847 3.624 -3.196 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.264 3.177 -4.057 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.602 2.700 -4.195 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.309 2.478 -4.627 1.00 0.00 C ATOM 0 H PHE A 73 -10.216 3.422 0.031 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.128 5.033 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.109 5.231 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.973 6.340 -1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.694 4.645 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.860 3.795 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.252 3.003 -4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.421 2.152 -4.637 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.116 1.759 -5.409 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.151 6.554 1.412 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.293 7.721 2.275 1.00 0.00 C ATOM 1171 C LYS A 74 -9.156 7.789 3.291 1.00 0.00 C ATOM 1172 O LYS A 74 -8.733 8.873 3.690 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.639 7.682 3.002 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.605 6.900 4.304 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.885 7.088 5.101 1.00 0.00 C ATOM 1176 CE LYS A 74 -12.952 8.471 5.730 1.00 0.00 C ATOM 1177 NZ LYS A 74 -13.819 8.488 6.940 1.00 0.00 N ATOM 0 H LYS A 74 -10.853 5.830 1.564 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.250 8.612 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.960 8.703 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.386 7.241 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.461 5.841 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.753 7.223 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.746 6.942 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.944 6.329 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.947 8.797 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.334 9.184 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.839 9.448 7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.784 8.201 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.441 7.826 7.648 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.667 6.623 3.702 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.579 6.552 4.671 1.00 0.00 C ATOM 1193 C GLU A 75 -6.261 6.997 4.042 1.00 0.00 C ATOM 1194 O GLU A 75 -5.340 7.423 4.740 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.442 5.128 5.214 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.678 4.635 5.947 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.353 3.605 7.011 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.328 2.907 6.866 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -9.124 3.497 7.988 1.00 0.00 O ATOM 0 H GLU A 75 -9.006 5.717 3.380 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.815 7.226 5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.227 4.452 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.588 5.087 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.184 5.483 6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.374 4.202 5.228 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.179 6.894 2.721 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.974 7.285 1.996 1.00 0.00 C ATOM 1208 C LEU A 76 -4.535 8.692 2.390 1.00 0.00 C ATOM 1209 O LEU A 76 -5.257 9.406 3.085 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.218 7.218 0.488 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.286 5.816 -0.119 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.816 5.876 -1.543 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.917 5.153 -0.086 1.00 0.00 C ATOM 0 H LEU A 76 -6.932 6.543 2.129 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.178 6.588 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.153 7.733 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.424 7.771 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.973 5.216 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.857 4.869 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.816 6.309 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.155 6.493 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.985 4.156 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.209 5.752 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.575 5.075 0.946 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.347 9.083 1.939 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.813 10.405 2.243 1.00 0.00 C ATOM 1227 C GLN A 77 -2.365 11.117 0.971 1.00 0.00 C ATOM 1228 O GLN A 77 -1.437 10.674 0.294 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.640 10.292 3.219 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.884 9.310 4.353 1.00 0.00 C ATOM 1231 CD GLN A 77 -2.551 9.956 5.551 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -3.145 11.029 5.442 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -2.457 9.304 6.704 1.00 0.00 N ATOM 0 H GLN A 77 -2.737 8.504 1.362 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.606 10.992 2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.750 9.986 2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.432 11.276 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.507 8.492 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.934 8.874 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.955 8.417 6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.887 9.690 7.545 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.031 12.222 0.652 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.703 12.995 -0.540 1.00 0.00 C ATOM 1244 C ARG A 78 -1.264 13.500 -0.481 1.00 0.00 C ATOM 1245 O ARG A 78 -0.672 13.838 -1.506 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.664 14.176 -0.689 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.915 13.846 -1.487 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.491 15.084 -2.157 1.00 0.00 C ATOM 1249 NE ARG A 78 -5.826 16.124 -1.188 1.00 0.00 N ATOM 1250 CZ ARG A 78 -6.360 17.294 -1.522 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -6.619 17.570 -2.792 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -6.637 18.190 -0.583 1.00 0.00 N ATOM 0 H ARG A 78 -3.801 12.602 1.202 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.805 12.341 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.956 14.523 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.141 15.000 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.678 13.098 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.663 13.406 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.771 15.476 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.384 14.810 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.640 15.942 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.408 16.883 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.029 18.469 -3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.440 17.981 0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.047 19.088 -0.840 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.709 13.549 0.725 1.00 0.00 N ATOM 1267 CA ASP A 79 0.660 14.013 0.918 1.00 0.00 C ATOM 1268 C ASP A 79 1.621 12.834 1.038 1.00 0.00 C ATOM 1269 O ASP A 79 2.708 12.961 1.603 1.00 0.00 O ATOM 1270 CB ASP A 79 0.753 14.891 2.166 1.00 0.00 C ATOM 1271 CG ASP A 79 1.964 15.803 2.144 1.00 0.00 C ATOM 1272 OD1 ASP A 79 1.873 16.895 1.545 1.00 0.00 O ATOM 1273 OD2 ASP A 79 3.003 15.424 2.725 1.00 0.00 O ATOM 0 H ASP A 79 -1.186 13.273 1.583 1.00 0.00 H new ATOM 0 HA ASP A 79 0.943 14.603 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.151 15.494 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.796 14.256 3.051 1.00 0.00 H new ATOM 1278 N TRP A 80 1.213 11.688 0.504 1.00 0.00 N ATOM 1279 CA TRP A 80 2.038 10.486 0.553 1.00 0.00 C ATOM 1280 C TRP A 80 3.348 10.694 -0.199 1.00 0.00 C ATOM 1281 O TRP A 80 3.367 10.953 -1.402 1.00 0.00 O ATOM 1282 CB TRP A 80 1.279 9.298 -0.040 1.00 0.00 C ATOM 1283 CG TRP A 80 2.003 7.995 0.113 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.516 7.220 -0.888 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.292 7.314 1.339 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.106 6.098 -0.357 1.00 0.00 N ATOM 1287 CE2 TRP A 80 2.983 6.133 1.006 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.036 7.588 2.685 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.419 5.229 1.972 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.469 6.690 3.642 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.155 5.523 3.282 1.00 0.00 C ATOM 0 H TRP A 80 0.317 11.566 0.033 1.00 0.00 H new ATOM 0 HA TRP A 80 2.269 10.276 1.597 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.304 9.222 0.441 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.099 9.483 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.465 7.454 -1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.562 5.359 -0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.509 8.486 2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 3.947 4.328 1.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.275 6.891 4.685 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.482 4.842 4.054 1.00 0.00 H new ATOM 1302 N PRO A 81 4.471 10.579 0.525 1.00 0.00 N ATOM 1303 CA PRO A 81 5.807 10.751 -0.054 1.00 0.00 C ATOM 1304 C PRO A 81 6.181 9.611 -0.996 1.00 0.00 C ATOM 1305 O PRO A 81 7.277 9.589 -1.555 1.00 0.00 O ATOM 1306 CB PRO A 81 6.726 10.756 1.170 1.00 0.00 C ATOM 1307 CG PRO A 81 5.981 9.989 2.207 1.00 0.00 C ATOM 1308 CD PRO A 81 4.524 10.273 1.964 1.00 0.00 C ATOM 0 HA PRO A 81 5.876 11.655 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.686 10.290 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.935 11.772 1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.189 8.922 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.277 10.298 3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.900 9.415 2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.172 11.111 2.566 1.00 0.00 H new ATOM 1316 N GLY A 82 5.262 8.665 -1.167 1.00 0.00 N ATOM 1317 CA GLY A 82 5.515 7.536 -2.043 1.00 0.00 C ATOM 1318 C GLY A 82 5.062 7.793 -3.466 1.00 0.00 C ATOM 1319 O GLY A 82 5.358 7.011 -4.370 1.00 0.00 O ATOM 0 H GLY A 82 4.348 8.661 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.581 7.310 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.001 6.657 -1.655 1.00 0.00 H new ATOM 1323 N TYR A 83 4.341 8.891 -3.667 1.00 0.00 N ATOM 1324 CA TYR A 83 3.843 9.247 -4.990 1.00 0.00 C ATOM 1325 C TYR A 83 4.716 10.321 -5.630 1.00 0.00 C ATOM 1326 O TYR A 83 4.833 11.432 -5.113 1.00 0.00 O ATOM 1327 CB TYR A 83 2.397 9.737 -4.898 1.00 0.00 C ATOM 1328 CG TYR A 83 1.456 8.733 -4.271 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.576 7.376 -4.542 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.447 9.142 -3.407 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.718 6.455 -3.972 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.414 8.229 -2.831 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.275 6.886 -3.117 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.132 5.973 -2.546 1.00 0.00 O ATOM 0 H TYR A 83 4.089 9.550 -2.930 1.00 0.00 H new ATOM 0 HA TYR A 83 3.879 8.355 -5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.371 10.659 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.040 9.981 -5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.353 7.035 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.334 10.192 -3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.824 5.404 -4.195 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.192 8.564 -2.161 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.209 5.188 -3.128 1.00 0.00 H new ATOM 1344 N SER A 84 5.328 9.982 -6.760 1.00 0.00 N ATOM 1345 CA SER A 84 6.194 10.915 -7.471 1.00 0.00 C ATOM 1346 C SER A 84 5.370 11.960 -8.217 1.00 0.00 C ATOM 1347 O SER A 84 4.144 11.874 -8.273 1.00 0.00 O ATOM 1348 CB SER A 84 7.093 10.162 -8.454 1.00 0.00 C ATOM 1349 OG SER A 84 8.038 9.359 -7.767 1.00 0.00 O ATOM 0 H SER A 84 5.240 9.067 -7.203 1.00 0.00 H new ATOM 0 HA SER A 84 6.817 11.425 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.482 9.535 -9.104 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.613 10.874 -9.095 1.00 0.00 H new ATOM 0 HG SER A 84 8.600 8.887 -8.417 1.00 0.00 H new ATOM 1355 N GLU A 85 6.054 12.946 -8.789 1.00 0.00 N ATOM 1356 CA GLU A 85 5.385 14.009 -9.530 1.00 0.00 C ATOM 1357 C GLU A 85 4.226 13.452 -10.352 1.00 0.00 C ATOM 1358 O GLU A 85 3.262 14.161 -10.645 1.00 0.00 O ATOM 1359 CB GLU A 85 6.379 14.723 -10.449 1.00 0.00 C ATOM 1360 CG GLU A 85 5.730 15.741 -11.373 1.00 0.00 C ATOM 1361 CD GLU A 85 6.727 16.397 -12.309 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.550 15.669 -12.903 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.684 17.637 -12.446 1.00 0.00 O ATOM 0 H GLU A 85 7.070 13.031 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 85 4.987 14.725 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.129 15.225 -9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.903 13.980 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.954 15.250 -11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.239 16.509 -10.775 1.00 0.00 H new ATOM 1370 N ILE A 86 4.327 12.180 -10.720 1.00 0.00 N ATOM 1371 CA ILE A 86 3.287 11.528 -11.507 1.00 0.00 C ATOM 1372 C ILE A 86 2.292 10.801 -10.609 1.00 0.00 C ATOM 1373 O ILE A 86 1.113 11.152 -10.560 1.00 0.00 O ATOM 1374 CB ILE A 86 3.886 10.523 -12.509 1.00 0.00 C ATOM 1375 CG1 ILE A 86 5.173 11.083 -13.118 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.876 10.196 -13.599 1.00 0.00 C ATOM 1377 CD1 ILE A 86 5.013 12.471 -13.699 1.00 0.00 C ATOM 0 H ILE A 86 5.118 11.580 -10.486 1.00 0.00 H new ATOM 0 HA ILE A 86 2.769 12.313 -12.058 1.00 0.00 H new ATOM 0 HB ILE A 86 4.128 9.603 -11.978 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.948 11.106 -12.352 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.519 10.408 -13.901 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.314 9.485 -14.299 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.984 9.760 -13.149 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.606 11.109 -14.130 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.965 12.804 -14.113 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.261 12.451 -14.488 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.697 13.159 -12.915 1.00 0.00 H new ATOM 1389 N ASP A 87 2.776 9.788 -9.899 1.00 0.00 N ATOM 1390 CA ASP A 87 1.930 9.012 -8.999 1.00 0.00 C ATOM 1391 C ASP A 87 0.860 9.895 -8.363 1.00 0.00 C ATOM 1392 O ASP A 87 -0.328 9.575 -8.405 1.00 0.00 O ATOM 1393 CB ASP A 87 2.777 8.352 -7.910 1.00 0.00 C ATOM 1394 CG ASP A 87 3.782 7.368 -8.475 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.167 7.524 -9.652 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.182 6.440 -7.740 1.00 0.00 O ATOM 0 H ASP A 87 3.749 9.485 -9.929 1.00 0.00 H new ATOM 0 HA ASP A 87 1.436 8.236 -9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.304 9.122 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.123 7.836 -7.208 1.00 0.00 H new ATOM 1401 N ARG A 88 1.290 11.006 -7.775 1.00 0.00 N ATOM 1402 CA ARG A 88 0.369 11.934 -7.129 1.00 0.00 C ATOM 1403 C ARG A 88 -0.784 12.293 -8.061 1.00 0.00 C ATOM 1404 O ARG A 88 -1.942 11.983 -7.781 1.00 0.00 O ATOM 1405 CB ARG A 88 1.107 13.203 -6.700 1.00 0.00 C ATOM 1406 CG ARG A 88 2.152 12.966 -5.622 1.00 0.00 C ATOM 1407 CD ARG A 88 2.886 14.249 -5.265 1.00 0.00 C ATOM 1408 NE ARG A 88 3.660 14.112 -4.034 1.00 0.00 N ATOM 1409 CZ ARG A 88 4.556 15.004 -3.627 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.790 16.092 -4.349 1.00 0.00 N ATOM 1411 NH2 ARG A 88 5.220 14.810 -2.495 1.00 0.00 N ATOM 0 H ARG A 88 2.270 11.286 -7.732 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.040 11.444 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.590 13.644 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.381 13.930 -6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.672 12.561 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.868 12.220 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.551 14.526 -6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.166 15.059 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 88 3.504 13.287 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.281 16.246 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.479 16.775 -4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.043 13.975 -1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.908 15.496 -2.183 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.459 12.950 -9.170 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.467 13.354 -10.143 1.00 0.00 C ATOM 1427 C ARG A 89 -2.232 12.142 -10.667 1.00 0.00 C ATOM 1428 O ARG A 89 -3.356 12.267 -11.153 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.814 14.100 -11.307 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.132 13.186 -12.311 1.00 0.00 C ATOM 1431 CD ARG A 89 0.120 13.898 -13.631 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.053 13.869 -14.501 1.00 0.00 N ATOM 1433 CZ ARG A 89 -1.973 14.827 -14.527 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.857 15.883 -13.735 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.012 14.729 -15.346 1.00 0.00 N ATOM 0 H ARG A 89 0.495 13.214 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.171 14.020 -9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.573 14.689 -11.822 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.080 14.802 -10.911 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.814 12.834 -11.900 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.752 12.306 -12.483 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.402 14.933 -13.437 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.961 13.429 -14.141 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.172 13.069 -15.123 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.060 15.962 -13.103 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.565 16.617 -13.757 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.105 13.917 -15.957 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.718 15.465 -15.365 1.00 0.00 H new ATOM 1449 N SER A 90 -1.614 10.969 -10.566 1.00 0.00 N ATOM 1450 CA SER A 90 -2.235 9.735 -11.034 1.00 0.00 C ATOM 1451 C SER A 90 -3.193 9.177 -9.985 1.00 0.00 C ATOM 1452 O SER A 90 -4.079 8.382 -10.298 1.00 0.00 O ATOM 1453 CB SER A 90 -1.164 8.695 -11.367 1.00 0.00 C ATOM 1454 OG SER A 90 -1.619 7.796 -12.363 1.00 0.00 O ATOM 0 H SER A 90 -0.684 10.847 -10.164 1.00 0.00 H new ATOM 0 HA SER A 90 -2.803 9.963 -11.936 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.260 9.197 -11.711 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.898 8.141 -10.467 1.00 0.00 H new ATOM 0 HG SER A 90 -0.916 7.142 -12.559 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.007 9.600 -8.740 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.854 9.143 -7.643 1.00 0.00 C ATOM 1462 C LEU A 91 -5.034 10.088 -7.437 1.00 0.00 C ATOM 1463 O LEU A 91 -6.175 9.649 -7.298 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.039 9.038 -6.353 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.806 9.281 -5.053 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.193 8.481 -3.914 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.826 10.765 -4.715 1.00 0.00 C ATOM 0 H LEU A 91 -2.278 10.258 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.242 8.158 -7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.594 8.044 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.218 9.753 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.834 8.947 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.752 8.667 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.232 7.418 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.155 8.784 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.376 10.919 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.804 11.125 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.312 11.315 -5.521 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.750 11.386 -7.419 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.789 12.392 -7.231 1.00 0.00 C ATOM 1481 C GLU A 92 -7.027 12.057 -8.058 1.00 0.00 C ATOM 1482 O GLU A 92 -8.140 12.462 -7.722 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.265 13.777 -7.617 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.009 13.939 -9.106 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.760 15.381 -9.502 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -3.636 15.874 -9.272 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.690 16.017 -10.042 1.00 0.00 O ATOM 0 H GLU A 92 -3.810 11.766 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.067 12.397 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.985 14.530 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.339 13.970 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.148 13.334 -9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.865 13.556 -9.662 1.00 0.00 H new ATOM 1494 N SER A 93 -6.824 11.314 -9.142 1.00 0.00 N ATOM 1495 CA SER A 93 -7.922 10.928 -10.020 1.00 0.00 C ATOM 1496 C SER A 93 -8.791 9.859 -9.365 1.00 0.00 C ATOM 1497 O SER A 93 -9.992 10.051 -9.170 1.00 0.00 O ATOM 1498 CB SER A 93 -7.379 10.413 -11.354 1.00 0.00 C ATOM 1499 OG SER A 93 -8.434 10.098 -12.247 1.00 0.00 O ATOM 0 H SER A 93 -5.910 10.968 -9.433 1.00 0.00 H new ATOM 0 HA SER A 93 -8.536 11.810 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.732 11.167 -11.802 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.766 9.528 -11.183 1.00 0.00 H new ATOM 0 HG SER A 93 -8.061 9.773 -13.093 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.176 8.730 -9.026 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.891 7.630 -8.391 1.00 0.00 C ATOM 1507 C VAL A 94 -9.810 8.137 -7.285 1.00 0.00 C ATOM 1508 O VAL A 94 -11.000 7.819 -7.258 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.917 6.594 -7.799 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.681 5.484 -7.094 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.018 6.026 -8.887 1.00 0.00 C ATOM 0 H VAL A 94 -7.183 8.554 -9.181 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.490 7.153 -9.167 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.287 7.093 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.976 4.762 -6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.278 5.909 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.337 4.985 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.336 5.296 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.630 5.542 -9.649 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.443 6.833 -9.342 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.251 8.927 -6.375 1.00 0.00 N ATOM 1522 CA LEU A 95 -10.021 9.480 -5.266 1.00 0.00 C ATOM 1523 C LEU A 95 -11.156 10.361 -5.777 1.00 0.00 C ATOM 1524 O LEU A 95 -12.252 10.367 -5.215 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.110 10.287 -4.340 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.874 9.559 -3.812 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -7.008 10.502 -2.991 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.281 8.349 -2.984 1.00 0.00 C ATOM 0 H LEU A 95 -8.268 9.199 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.454 8.651 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.781 11.179 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.700 10.625 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.289 9.212 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.133 9.966 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.687 11.337 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.583 10.881 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.388 7.843 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.888 8.674 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.859 7.662 -3.603 1.00 0.00 H new ATOM 1540 N SER A 96 -10.888 11.103 -6.846 1.00 0.00 N ATOM 1541 CA SER A 96 -11.886 11.989 -7.432 1.00 0.00 C ATOM 1542 C SER A 96 -13.027 11.188 -8.052 1.00 0.00 C ATOM 1543 O SER A 96 -14.178 11.626 -8.055 1.00 0.00 O ATOM 1544 CB SER A 96 -11.244 12.886 -8.492 1.00 0.00 C ATOM 1545 OG SER A 96 -12.144 13.892 -8.922 1.00 0.00 O ATOM 0 H SER A 96 -9.987 11.108 -7.324 1.00 0.00 H new ATOM 0 HA SER A 96 -12.293 12.613 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.344 13.348 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.934 12.282 -9.345 1.00 0.00 H new ATOM 0 HG SER A 96 -11.709 14.453 -9.598 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.699 10.011 -8.575 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.695 9.148 -9.199 1.00 0.00 C ATOM 1553 C ARG A 97 -14.494 8.388 -8.144 1.00 0.00 C ATOM 1554 O ARG A 97 -15.724 8.374 -8.172 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.020 8.161 -10.152 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.069 8.819 -11.138 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.995 8.044 -12.444 1.00 0.00 C ATOM 1558 NE ARG A 97 -11.001 6.975 -12.390 1.00 0.00 N ATOM 1559 CZ ARG A 97 -10.845 6.067 -13.347 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -11.615 6.099 -14.427 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -9.918 5.126 -13.226 1.00 0.00 N ATOM 0 H ARG A 97 -11.752 9.633 -8.579 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.381 9.778 -9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.470 7.423 -9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.788 7.621 -10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.398 9.839 -11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.075 8.886 -10.697 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -12.973 7.619 -12.669 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.749 8.727 -13.257 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.393 6.923 -11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.328 6.822 -14.524 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.494 5.401 -15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.324 5.099 -12.397 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.799 4.429 -13.962 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.785 7.757 -7.214 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.425 6.995 -6.148 1.00 0.00 C ATOM 1577 C LYS A 98 -15.202 7.916 -5.212 1.00 0.00 C ATOM 1578 O LYS A 98 -16.424 7.814 -5.097 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.379 6.209 -5.356 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.612 5.200 -6.193 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.342 3.870 -6.271 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.806 3.005 -7.401 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.457 1.666 -7.432 1.00 0.00 N ATOM 0 H LYS A 98 -12.766 7.758 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.125 6.296 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.673 6.909 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.873 5.687 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.466 5.596 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.622 5.048 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.237 3.340 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.407 4.047 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.969 3.510 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.729 2.883 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.064 1.107 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.281 1.173 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.482 1.781 -7.568 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.486 8.815 -4.546 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.108 9.756 -3.621 1.00 0.00 C ATOM 1599 C LEU A 99 -15.961 10.774 -4.371 1.00 0.00 C ATOM 1600 O LEU A 99 -15.446 11.751 -4.913 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.038 10.476 -2.799 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.065 9.581 -2.032 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.891 10.394 -1.509 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.778 8.874 -0.889 1.00 0.00 C ATOM 0 H LEU A 99 -13.474 8.912 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.755 9.193 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.462 11.114 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.537 11.132 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.681 8.825 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.209 9.740 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.364 10.853 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.257 11.173 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.070 8.241 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.192 9.615 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.584 8.259 -1.288 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.269 10.538 -4.396 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.194 11.436 -5.078 1.00 0.00 C ATOM 1618 C ASN A 100 -18.563 12.618 -4.187 1.00 0.00 C ATOM 1619 O ASN A 100 -18.108 13.740 -4.408 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.459 10.681 -5.492 1.00 0.00 C ATOM 1621 CG ASN A 100 -19.158 9.498 -6.392 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -18.077 9.405 -6.973 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -20.117 8.587 -6.512 1.00 0.00 N ATOM 0 H ASN A 100 -17.712 9.733 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.698 11.818 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.979 10.332 -4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -20.134 11.364 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -19.973 7.769 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -20.998 8.705 -6.012 1.00 0.00 H new