USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 797 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 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 116 THR OG1 : rot 45:sc= -0.632 USER MOD Set 2.1: A 26 TYR OH : rot -164:sc= 0.283 USER MOD Set 2.2: A 96 TYR OH : rot 30:sc= 0.338 USER MOD Set 3.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 89 LYS NZ :NH3+ -162:sc= -1.17 (180deg=-1.97!) USER MOD Single : A 23 MET CE :methyl -149:sc= -0.0933 (180deg=-0.74) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 0.392 (180deg=0.334) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 0.0726 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -1.24 (180deg=-1.79) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -129:sc= 0.0516 (180deg=-0.0886) USER MOD Single : A 79 ASN : amide:sc= -4.89! C(o=-4.9!,f=-13!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -146:sc= -2.5! USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -99:sc= 0.822 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.218 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -157:sc= -0.414 (180deg=-1.1) USER MOD Single : A 114 MET CE :methyl -140:sc= -1.43 (180deg=-3.6!) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.077 8.936 -6.069 1.00 0.00 N ATOM 2 CA MET A 23 5.849 7.521 -5.827 1.00 0.00 C ATOM 3 C MET A 23 6.293 7.128 -4.416 1.00 0.00 C ATOM 4 O MET A 23 7.303 7.624 -3.918 1.00 0.00 O ATOM 5 CB MET A 23 6.624 6.696 -6.855 1.00 0.00 C ATOM 6 CG MET A 23 6.182 5.230 -6.827 1.00 0.00 C ATOM 7 SD MET A 23 7.534 4.195 -6.294 1.00 0.00 S ATOM 8 CE MET A 23 8.677 4.462 -7.640 1.00 0.00 C ATOM 0 HA MET A 23 4.781 7.323 -5.920 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.466 7.108 -7.852 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.692 6.762 -6.649 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.334 5.110 -6.153 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.847 4.924 -7.818 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.277 3.565 -7.791 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.121 4.684 -8.551 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.331 5.300 -7.401 1.00 0.00 H new ATOM 18 N ARG A 24 5.517 6.240 -3.813 1.00 0.00 N ATOM 19 CA ARG A 24 5.817 5.774 -2.469 1.00 0.00 C ATOM 20 C ARG A 24 6.261 4.310 -2.501 1.00 0.00 C ATOM 21 O ARG A 24 5.863 3.558 -3.390 1.00 0.00 O ATOM 22 CB ARG A 24 4.599 5.910 -1.554 1.00 0.00 C ATOM 23 CG ARG A 24 4.471 7.339 -1.022 1.00 0.00 C ATOM 24 CD ARG A 24 3.012 7.800 -1.036 1.00 0.00 C ATOM 25 NE ARG A 24 2.579 8.152 0.336 1.00 0.00 N ATOM 26 CZ ARG A 24 2.780 9.349 0.902 1.00 0.00 C ATOM 27 NH1 ARG A 24 3.411 10.317 0.220 1.00 0.00 N ATOM 28 NH2 ARG A 24 2.353 9.580 2.151 1.00 0.00 N ATOM 0 H ARG A 24 4.681 5.831 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 24 6.623 6.393 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.696 5.640 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.687 5.214 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.862 7.389 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.075 8.013 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.901 8.662 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.376 7.010 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 24 2.098 7.439 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.738 10.141 -0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.564 11.228 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.875 8.844 2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.506 10.492 2.582 1.00 0.00 H new ATOM 42 N GLU A 25 7.079 3.950 -1.524 1.00 0.00 N ATOM 43 CA GLU A 25 7.581 2.591 -1.430 1.00 0.00 C ATOM 44 C GLU A 25 7.182 1.969 -0.090 1.00 0.00 C ATOM 45 O GLU A 25 6.767 2.675 0.827 1.00 0.00 O ATOM 46 CB GLU A 25 9.099 2.552 -1.621 1.00 0.00 C ATOM 47 CG GLU A 25 9.480 2.903 -3.060 1.00 0.00 C ATOM 48 CD GLU A 25 10.893 3.484 -3.127 1.00 0.00 C ATOM 49 OE1 GLU A 25 11.761 2.949 -2.404 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.074 4.449 -3.902 1.00 0.00 O ATOM 0 H GLU A 25 7.407 4.577 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 25 7.132 2.003 -2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.574 3.253 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.475 1.559 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.420 2.011 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.768 3.623 -3.463 1.00 0.00 H new ATOM 57 N TYR A 26 7.318 0.653 -0.020 1.00 0.00 N ATOM 58 CA TYR A 26 6.976 -0.072 1.192 1.00 0.00 C ATOM 59 C TYR A 26 7.610 -1.464 1.194 1.00 0.00 C ATOM 60 O TYR A 26 7.713 -2.107 0.151 1.00 0.00 O ATOM 61 CB TYR A 26 5.453 -0.219 1.179 1.00 0.00 C ATOM 62 CG TYR A 26 4.699 1.111 1.258 1.00 0.00 C ATOM 63 CD1 TYR A 26 4.896 1.953 2.333 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.823 1.467 0.253 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.187 3.204 2.408 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.115 2.718 0.327 1.00 0.00 C ATOM 67 CZ TYR A 26 3.330 3.525 1.401 1.00 0.00 C ATOM 68 OH TYR A 26 2.661 4.707 1.470 1.00 0.00 O ATOM 0 H TYR A 26 7.661 0.070 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 26 7.338 0.459 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.156 -0.740 0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.151 -0.846 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.582 1.674 3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.669 0.808 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.332 3.872 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.428 3.010 -0.453 1.00 0.00 H new ATOM 0 HH TYR A 26 1.911 4.696 0.839 1.00 0.00 H new ATOM 78 N PRO A 27 8.029 -1.903 2.412 1.00 0.00 N ATOM 79 CA PRO A 27 8.651 -3.207 2.566 1.00 0.00 C ATOM 80 C PRO A 27 7.608 -4.324 2.484 1.00 0.00 C ATOM 81 O PRO A 27 6.413 -4.074 2.636 1.00 0.00 O ATOM 82 CB PRO A 27 9.357 -3.151 3.909 1.00 0.00 C ATOM 83 CG PRO A 27 8.723 -1.994 4.665 1.00 0.00 C ATOM 84 CD PRO A 27 7.923 -1.170 3.671 1.00 0.00 C ATOM 0 HA PRO A 27 9.360 -3.432 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.235 -4.087 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.428 -2.994 3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.077 -2.366 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.490 -1.381 5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.884 -1.070 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.326 -0.162 3.577 1.00 0.00 H new ATOM 92 N VAL A 28 8.098 -5.531 2.246 1.00 0.00 N ATOM 93 CA VAL A 28 7.223 -6.686 2.143 1.00 0.00 C ATOM 94 C VAL A 28 7.560 -7.676 3.260 1.00 0.00 C ATOM 95 O VAL A 28 8.730 -7.896 3.569 1.00 0.00 O ATOM 96 CB VAL A 28 7.332 -7.302 0.747 1.00 0.00 C ATOM 97 CG1 VAL A 28 8.732 -7.868 0.502 1.00 0.00 C ATOM 98 CG2 VAL A 28 6.263 -8.377 0.535 1.00 0.00 C ATOM 0 H VAL A 28 9.090 -5.734 2.121 1.00 0.00 H new ATOM 0 HA VAL A 28 6.182 -6.390 2.273 1.00 0.00 H new ATOM 0 HB VAL A 28 7.160 -6.509 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.780 -8.299 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.468 -7.069 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.947 -8.640 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.364 -8.798 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.389 -9.167 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.274 -7.933 0.644 1.00 0.00 H new ATOM 108 N LYS A 29 6.513 -8.248 3.835 1.00 0.00 N ATOM 109 CA LYS A 29 6.682 -9.210 4.913 1.00 0.00 C ATOM 110 C LYS A 29 6.917 -10.600 4.316 1.00 0.00 C ATOM 111 O LYS A 29 6.349 -10.938 3.278 1.00 0.00 O ATOM 112 CB LYS A 29 5.499 -9.146 5.878 1.00 0.00 C ATOM 113 CG LYS A 29 5.652 -10.176 7.001 1.00 0.00 C ATOM 114 CD LYS A 29 6.182 -9.520 8.277 1.00 0.00 C ATOM 115 CE LYS A 29 7.706 -9.386 8.232 1.00 0.00 C ATOM 116 NZ LYS A 29 8.219 -8.859 9.516 1.00 0.00 N ATOM 0 H LYS A 29 5.544 -8.064 3.575 1.00 0.00 H new ATOM 0 HA LYS A 29 7.561 -8.966 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.426 -8.146 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.572 -9.329 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.689 -10.646 7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.333 -10.966 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.730 -8.536 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.891 -10.114 9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.156 -10.357 8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.994 -8.721 7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.254 -8.775 9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.803 -7.923 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.960 -9.508 10.286 1.00 0.00 H new ATOM 130 N LYS A 30 7.752 -11.368 5.000 1.00 0.00 N ATOM 131 CA LYS A 30 8.068 -12.714 4.551 1.00 0.00 C ATOM 132 C LYS A 30 6.823 -13.595 4.679 1.00 0.00 C ATOM 133 O LYS A 30 6.517 -14.088 5.763 1.00 0.00 O ATOM 134 CB LYS A 30 9.286 -13.256 5.300 1.00 0.00 C ATOM 135 CG LYS A 30 10.170 -14.096 4.376 1.00 0.00 C ATOM 136 CD LYS A 30 10.552 -15.422 5.038 1.00 0.00 C ATOM 137 CE LYS A 30 9.763 -16.584 4.433 1.00 0.00 C ATOM 138 NZ LYS A 30 9.076 -17.354 5.494 1.00 0.00 N ATOM 0 H LYS A 30 8.219 -11.085 5.861 1.00 0.00 H new ATOM 0 HA LYS A 30 8.348 -12.709 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.865 -12.427 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.958 -13.862 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.644 -14.290 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.072 -13.538 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.620 -15.600 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.360 -15.366 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.031 -16.202 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.436 -17.238 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.545 -18.139 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.780 -17.734 6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.419 -16.731 6.005 1.00 0.00 H new ATOM 152 N GLY A 31 6.141 -13.766 3.557 1.00 0.00 N ATOM 153 CA GLY A 31 4.937 -14.579 3.530 1.00 0.00 C ATOM 154 C GLY A 31 3.780 -13.824 2.876 1.00 0.00 C ATOM 155 O GLY A 31 3.042 -14.388 2.067 1.00 0.00 O ATOM 0 H GLY A 31 6.399 -13.356 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.129 -15.502 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.663 -14.863 4.546 1.00 0.00 H new ATOM 159 N PHE A 32 3.656 -12.558 3.247 1.00 0.00 N ATOM 160 CA PHE A 32 2.600 -11.719 2.704 1.00 0.00 C ATOM 161 C PHE A 32 2.468 -11.912 1.193 1.00 0.00 C ATOM 162 O PHE A 32 3.393 -12.394 0.541 1.00 0.00 O ATOM 163 CB PHE A 32 2.991 -10.267 2.989 1.00 0.00 C ATOM 164 CG PHE A 32 2.410 -9.710 4.290 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.517 -10.423 5.443 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.787 -8.501 4.293 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.977 -9.905 6.651 1.00 0.00 C ATOM 168 CE2 PHE A 32 1.246 -7.984 5.499 1.00 0.00 C ATOM 169 CZ PHE A 32 1.354 -8.697 6.653 1.00 0.00 C ATOM 0 H PHE A 32 4.269 -12.093 3.917 1.00 0.00 H new ATOM 0 HA PHE A 32 1.646 -11.981 3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.078 -10.195 3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.660 -9.643 2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.012 -11.383 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.704 -7.934 3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.062 -10.471 7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.749 -7.025 5.501 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.944 -8.303 7.571 1.00 0.00 H new ATOM 179 N PRO A 33 1.278 -11.515 0.663 1.00 0.00 N ATOM 180 CA PRO A 33 1.014 -11.639 -0.760 1.00 0.00 C ATOM 181 C PRO A 33 1.764 -10.568 -1.553 1.00 0.00 C ATOM 182 O PRO A 33 1.831 -9.413 -1.132 1.00 0.00 O ATOM 183 CB PRO A 33 -0.497 -11.527 -0.889 1.00 0.00 C ATOM 184 CG PRO A 33 -0.981 -10.882 0.400 1.00 0.00 C ATOM 185 CD PRO A 33 0.160 -10.940 1.404 1.00 0.00 C ATOM 0 HA PRO A 33 1.367 -12.584 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.771 -10.923 -1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.951 -12.508 -1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.281 -9.849 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.856 -11.406 0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.405 -9.948 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.102 -11.554 2.265 1.00 0.00 H new ATOM 193 N THR A 34 2.307 -10.986 -2.685 1.00 0.00 N ATOM 194 CA THR A 34 3.050 -10.076 -3.541 1.00 0.00 C ATOM 195 C THR A 34 2.670 -10.294 -5.007 1.00 0.00 C ATOM 196 O THR A 34 3.497 -10.114 -5.899 1.00 0.00 O ATOM 197 CB THR A 34 4.541 -10.276 -3.263 1.00 0.00 C ATOM 198 OG1 THR A 34 4.727 -11.686 -3.363 1.00 0.00 O ATOM 199 CG2 THR A 34 4.915 -9.953 -1.816 1.00 0.00 C ATOM 0 H THR A 34 2.248 -11.944 -3.031 1.00 0.00 H new ATOM 0 HA THR A 34 2.801 -9.037 -3.324 1.00 0.00 H new ATOM 0 HB THR A 34 5.123 -9.648 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.668 -11.904 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.984 -10.111 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.670 -8.913 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.358 -10.604 -1.142 1.00 0.00 H new ATOM 207 N ASP A 35 1.417 -10.679 -5.210 1.00 0.00 N ATOM 208 CA ASP A 35 0.920 -10.923 -6.553 1.00 0.00 C ATOM 209 C ASP A 35 -0.353 -10.102 -6.776 1.00 0.00 C ATOM 210 O ASP A 35 -1.164 -9.947 -5.864 1.00 0.00 O ATOM 211 CB ASP A 35 0.570 -12.399 -6.751 1.00 0.00 C ATOM 212 CG ASP A 35 1.359 -13.107 -7.855 1.00 0.00 C ATOM 213 OD1 ASP A 35 1.718 -12.414 -8.830 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.585 -14.327 -7.698 1.00 0.00 O ATOM 0 H ASP A 35 0.733 -10.827 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 35 1.701 -10.640 -7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.736 -12.926 -5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.493 -12.478 -6.977 1.00 0.00 H new ATOM 219 N TYR A 36 -0.490 -9.601 -7.994 1.00 0.00 N ATOM 220 CA TYR A 36 -1.650 -8.800 -8.349 1.00 0.00 C ATOM 221 C TYR A 36 -2.943 -9.476 -7.889 1.00 0.00 C ATOM 222 O TYR A 36 -3.742 -8.873 -7.174 1.00 0.00 O ATOM 223 CB TYR A 36 -1.649 -8.712 -9.877 1.00 0.00 C ATOM 224 CG TYR A 36 -0.832 -7.543 -10.432 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.528 -7.486 -10.210 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.457 -6.547 -11.155 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.296 -6.386 -10.734 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.688 -5.447 -11.677 1.00 0.00 C ATOM 229 CZ TYR A 36 0.651 -5.421 -11.441 1.00 0.00 C ATOM 230 OH TYR A 36 1.377 -4.381 -11.936 1.00 0.00 O ATOM 0 H TYR A 36 0.183 -9.734 -8.749 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.601 -7.820 -7.874 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.255 -9.643 -10.284 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.678 -8.621 -10.226 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.017 -8.265 -9.644 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.522 -6.593 -11.329 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.362 -6.329 -10.569 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.164 -4.660 -12.243 1.00 0.00 H new ATOM 0 HH TYR A 36 0.784 -3.769 -12.420 1.00 0.00 H new ATOM 240 N ASP A 37 -3.108 -10.718 -8.319 1.00 0.00 N ATOM 241 CA ASP A 37 -4.292 -11.483 -7.960 1.00 0.00 C ATOM 242 C ASP A 37 -4.374 -11.599 -6.436 1.00 0.00 C ATOM 243 O ASP A 37 -5.423 -11.343 -5.847 1.00 0.00 O ATOM 244 CB ASP A 37 -4.230 -12.896 -8.541 1.00 0.00 C ATOM 245 CG ASP A 37 -4.334 -12.975 -10.064 1.00 0.00 C ATOM 246 OD1 ASP A 37 -3.643 -12.167 -10.722 1.00 0.00 O ATOM 247 OD2 ASP A 37 -5.101 -13.841 -10.537 1.00 0.00 O ATOM 0 H ASP A 37 -2.443 -11.214 -8.912 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.164 -10.967 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.293 -13.359 -8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.036 -13.487 -8.106 1.00 0.00 H new ATOM 252 N SER A 38 -3.256 -11.987 -5.842 1.00 0.00 N ATOM 253 CA SER A 38 -3.189 -12.142 -4.399 1.00 0.00 C ATOM 254 C SER A 38 -3.665 -10.859 -3.713 1.00 0.00 C ATOM 255 O SER A 38 -4.552 -10.899 -2.862 1.00 0.00 O ATOM 256 CB SER A 38 -1.770 -12.490 -3.947 1.00 0.00 C ATOM 257 OG SER A 38 -1.415 -13.827 -4.284 1.00 0.00 O ATOM 0 H SER A 38 -2.388 -12.199 -6.334 1.00 0.00 H new ATOM 0 HA SER A 38 -3.844 -12.965 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.063 -11.800 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.690 -12.355 -2.868 1.00 0.00 H new ATOM 0 HG SER A 38 -0.501 -14.009 -3.980 1.00 0.00 H new ATOM 263 N ILE A 39 -3.056 -9.752 -4.110 1.00 0.00 N ATOM 264 CA ILE A 39 -3.407 -8.460 -3.544 1.00 0.00 C ATOM 265 C ILE A 39 -4.842 -8.109 -3.939 1.00 0.00 C ATOM 266 O ILE A 39 -5.606 -7.599 -3.121 1.00 0.00 O ATOM 267 CB ILE A 39 -2.379 -7.401 -3.951 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.121 -7.498 -3.086 1.00 0.00 C ATOM 269 CG2 ILE A 39 -2.994 -6.001 -3.915 1.00 0.00 C ATOM 270 CD1 ILE A 39 0.087 -6.899 -3.808 1.00 0.00 C ATOM 0 H ILE A 39 -2.321 -9.722 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.377 -8.499 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.077 -7.594 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.282 -6.975 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.923 -8.542 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.244 -5.266 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.836 -5.956 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.341 -5.782 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.968 -6.980 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.260 -7.440 -4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.105 -5.849 -4.029 1.00 0.00 H new ATOM 282 N LYS A 40 -5.165 -8.395 -5.191 1.00 0.00 N ATOM 283 CA LYS A 40 -6.495 -8.115 -5.704 1.00 0.00 C ATOM 284 C LYS A 40 -7.539 -8.688 -4.744 1.00 0.00 C ATOM 285 O LYS A 40 -8.506 -8.012 -4.397 1.00 0.00 O ATOM 286 CB LYS A 40 -6.634 -8.627 -7.140 1.00 0.00 C ATOM 287 CG LYS A 40 -8.088 -8.551 -7.610 1.00 0.00 C ATOM 288 CD LYS A 40 -8.690 -9.950 -7.758 1.00 0.00 C ATOM 289 CE LYS A 40 -9.664 -10.006 -8.937 1.00 0.00 C ATOM 290 NZ LYS A 40 -10.875 -10.772 -8.572 1.00 0.00 N ATOM 0 H LYS A 40 -4.528 -8.818 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.665 -7.039 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.002 -8.036 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.282 -9.657 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.675 -7.972 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.139 -8.027 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.893 -10.679 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.209 -10.226 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.942 -8.995 -9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.178 -10.469 -9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.525 -10.800 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.606 -11.742 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.346 -10.313 -7.766 1.00 0.00 H new ATOM 304 N ARG A 41 -7.306 -9.928 -4.339 1.00 0.00 N ATOM 305 CA ARG A 41 -8.214 -10.599 -3.425 1.00 0.00 C ATOM 306 C ARG A 41 -8.098 -9.996 -2.024 1.00 0.00 C ATOM 307 O ARG A 41 -9.093 -9.878 -1.311 1.00 0.00 O ATOM 308 CB ARG A 41 -7.914 -12.098 -3.354 1.00 0.00 C ATOM 309 CG ARG A 41 -8.645 -12.856 -4.465 1.00 0.00 C ATOM 310 CD ARG A 41 -7.811 -12.885 -5.747 1.00 0.00 C ATOM 311 NE ARG A 41 -8.296 -13.961 -6.641 1.00 0.00 N ATOM 312 CZ ARG A 41 -8.017 -14.031 -7.950 1.00 0.00 C ATOM 313 NH1 ARG A 41 -7.253 -13.092 -8.525 1.00 0.00 N ATOM 314 NH2 ARG A 41 -8.499 -15.044 -8.684 1.00 0.00 N ATOM 0 H ARG A 41 -6.502 -10.485 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.227 -10.460 -3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.840 -12.262 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.217 -12.488 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.853 -13.875 -4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.606 -12.382 -4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.875 -11.922 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.761 -13.048 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.878 -14.694 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.883 -12.323 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.041 -13.146 -9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.078 -15.761 -8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.287 -15.098 -9.680 1.00 0.00 H new ATOM 328 N LYS A 42 -6.875 -9.631 -1.670 1.00 0.00 N ATOM 329 CA LYS A 42 -6.616 -9.042 -0.368 1.00 0.00 C ATOM 330 C LYS A 42 -7.347 -7.702 -0.264 1.00 0.00 C ATOM 331 O LYS A 42 -7.810 -7.324 0.811 1.00 0.00 O ATOM 332 CB LYS A 42 -5.111 -8.944 -0.113 1.00 0.00 C ATOM 333 CG LYS A 42 -4.494 -10.333 0.068 1.00 0.00 C ATOM 334 CD LYS A 42 -4.798 -10.891 1.460 1.00 0.00 C ATOM 335 CE LYS A 42 -4.956 -12.412 1.417 1.00 0.00 C ATOM 336 NZ LYS A 42 -6.019 -12.848 2.352 1.00 0.00 N ATOM 0 H LYS A 42 -6.051 -9.732 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.008 -9.681 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.630 -8.434 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.928 -8.342 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.884 -11.010 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.415 -10.277 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.994 -10.624 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.711 -10.438 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.202 -12.730 0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.012 -12.890 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.958 -13.877 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.897 -12.366 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.950 -12.607 1.956 1.00 0.00 H new ATOM 350 N ILE A 43 -7.426 -7.019 -1.396 1.00 0.00 N ATOM 351 CA ILE A 43 -8.091 -5.728 -1.447 1.00 0.00 C ATOM 352 C ILE A 43 -9.593 -5.926 -1.236 1.00 0.00 C ATOM 353 O ILE A 43 -10.190 -5.296 -0.365 1.00 0.00 O ATOM 354 CB ILE A 43 -7.743 -4.995 -2.744 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.232 -4.788 -2.868 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.513 -3.677 -2.853 1.00 0.00 C ATOM 357 CD1 ILE A 43 -5.788 -4.852 -4.331 1.00 0.00 C ATOM 0 H ILE A 43 -7.040 -7.335 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.737 -5.085 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.053 -5.619 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.958 -3.823 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.708 -5.551 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.247 -3.176 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.584 -3.879 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.257 -3.035 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.710 -4.702 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.042 -5.827 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.295 -4.072 -4.900 1.00 0.00 H new ATOM 369 N SER A 44 -10.162 -6.802 -2.050 1.00 0.00 N ATOM 370 CA SER A 44 -11.583 -7.092 -1.964 1.00 0.00 C ATOM 371 C SER A 44 -11.887 -7.842 -0.665 1.00 0.00 C ATOM 372 O SER A 44 -12.986 -7.730 -0.122 1.00 0.00 O ATOM 373 CB SER A 44 -12.055 -7.906 -3.171 1.00 0.00 C ATOM 374 OG SER A 44 -13.474 -7.890 -3.304 1.00 0.00 O ATOM 0 H SER A 44 -9.664 -7.321 -2.773 1.00 0.00 H new ATOM 0 HA SER A 44 -12.125 -6.146 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.601 -7.506 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.712 -8.936 -3.070 1.00 0.00 H new ATOM 0 HG SER A 44 -13.735 -8.419 -4.086 1.00 0.00 H new ATOM 380 N GLU A 45 -10.896 -8.590 -0.207 1.00 0.00 N ATOM 381 CA GLU A 45 -11.043 -9.360 1.017 1.00 0.00 C ATOM 382 C GLU A 45 -11.263 -8.424 2.208 1.00 0.00 C ATOM 383 O GLU A 45 -11.793 -8.839 3.238 1.00 0.00 O ATOM 384 CB GLU A 45 -9.831 -10.265 1.247 1.00 0.00 C ATOM 385 CG GLU A 45 -10.026 -11.623 0.571 1.00 0.00 C ATOM 386 CD GLU A 45 -9.916 -12.761 1.588 1.00 0.00 C ATOM 387 OE1 GLU A 45 -8.961 -12.712 2.394 1.00 0.00 O ATOM 388 OE2 GLU A 45 -10.789 -13.655 1.537 1.00 0.00 O ATOM 0 H GLU A 45 -9.987 -8.680 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.918 -10.002 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.934 -9.785 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.675 -10.406 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.002 -11.656 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.278 -11.755 -0.211 1.00 0.00 H new ATOM 395 N LEU A 46 -10.845 -7.180 2.028 1.00 0.00 N ATOM 396 CA LEU A 46 -10.989 -6.183 3.075 1.00 0.00 C ATOM 397 C LEU A 46 -12.295 -5.414 2.865 1.00 0.00 C ATOM 398 O LEU A 46 -12.852 -4.860 3.810 1.00 0.00 O ATOM 399 CB LEU A 46 -9.750 -5.287 3.136 1.00 0.00 C ATOM 400 CG LEU A 46 -9.764 -4.060 2.223 1.00 0.00 C ATOM 401 CD1 LEU A 46 -9.925 -2.773 3.037 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.520 -4.023 1.333 1.00 0.00 C ATOM 0 H LEU A 46 -10.406 -6.840 1.172 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.055 -6.663 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.621 -4.949 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.877 -5.890 2.887 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.629 -4.135 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.932 -1.915 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.863 -2.808 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.094 -2.679 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.556 -3.141 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.627 -3.983 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.490 -4.919 0.713 1.00 0.00 H new ATOM 414 N GLY A 47 -12.743 -5.404 1.618 1.00 0.00 N ATOM 415 CA GLY A 47 -13.973 -4.711 1.271 1.00 0.00 C ATOM 416 C GLY A 47 -13.690 -3.510 0.366 1.00 0.00 C ATOM 417 O GLY A 47 -14.369 -2.489 0.452 1.00 0.00 O ATOM 0 H GLY A 47 -12.277 -5.864 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.652 -5.399 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.474 -4.376 2.179 1.00 0.00 H new ATOM 421 N PHE A 48 -12.684 -3.675 -0.482 1.00 0.00 N ATOM 422 CA PHE A 48 -12.302 -2.616 -1.403 1.00 0.00 C ATOM 423 C PHE A 48 -12.430 -3.081 -2.855 1.00 0.00 C ATOM 424 O PHE A 48 -12.643 -4.265 -3.115 1.00 0.00 O ATOM 425 CB PHE A 48 -10.839 -2.278 -1.114 1.00 0.00 C ATOM 426 CG PHE A 48 -10.633 -1.411 0.128 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.709 -0.879 0.771 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.378 -1.169 0.590 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.519 -0.071 1.924 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.188 -0.362 1.744 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.262 0.169 2.387 1.00 0.00 C ATOM 0 H PHE A 48 -12.123 -4.524 -0.551 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.953 -1.752 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.280 -3.206 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.419 -1.763 -1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.707 -1.071 0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.525 -1.590 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.372 0.353 2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.190 -0.170 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.118 0.781 3.265 1.00 0.00 H new ATOM 441 N ASP A 49 -12.294 -2.126 -3.762 1.00 0.00 N ATOM 442 CA ASP A 49 -12.390 -2.423 -5.182 1.00 0.00 C ATOM 443 C ASP A 49 -11.014 -2.254 -5.828 1.00 0.00 C ATOM 444 O ASP A 49 -10.129 -1.619 -5.257 1.00 0.00 O ATOM 445 CB ASP A 49 -13.360 -1.467 -5.879 1.00 0.00 C ATOM 446 CG ASP A 49 -14.678 -2.100 -6.332 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.287 -2.803 -5.496 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.046 -1.867 -7.503 1.00 0.00 O ATOM 0 H ASP A 49 -12.118 -1.146 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.751 -3.446 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.584 -0.643 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.862 -1.038 -6.749 1.00 0.00 H new ATOM 453 N VAL A 50 -10.876 -2.834 -7.012 1.00 0.00 N ATOM 454 CA VAL A 50 -9.622 -2.756 -7.742 1.00 0.00 C ATOM 455 C VAL A 50 -9.917 -2.609 -9.236 1.00 0.00 C ATOM 456 O VAL A 50 -10.755 -3.326 -9.782 1.00 0.00 O ATOM 457 CB VAL A 50 -8.753 -3.973 -7.421 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.556 -5.268 -7.542 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.512 -4.011 -8.315 1.00 0.00 C ATOM 0 H VAL A 50 -11.612 -3.360 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.054 -1.878 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.419 -3.883 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.914 -6.117 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.393 -5.243 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.934 -5.368 -8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.911 -4.886 -8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.818 -4.066 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.922 -3.109 -8.157 1.00 0.00 H new ATOM 469 N LYS A 51 -9.212 -1.674 -9.857 1.00 0.00 N ATOM 470 CA LYS A 51 -9.387 -1.425 -11.277 1.00 0.00 C ATOM 471 C LYS A 51 -8.127 -1.866 -12.027 1.00 0.00 C ATOM 472 O LYS A 51 -7.015 -1.726 -11.518 1.00 0.00 O ATOM 473 CB LYS A 51 -9.767 0.037 -11.521 1.00 0.00 C ATOM 474 CG LYS A 51 -10.898 0.472 -10.588 1.00 0.00 C ATOM 475 CD LYS A 51 -12.220 -0.190 -10.984 1.00 0.00 C ATOM 476 CE LYS A 51 -13.413 0.616 -10.466 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.601 -0.255 -10.315 1.00 0.00 N ATOM 0 H LYS A 51 -8.519 -1.080 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.215 -2.016 -11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.896 0.674 -11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.076 0.168 -12.558 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.648 0.208 -9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.005 1.556 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.278 -0.275 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.259 -1.203 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.164 1.070 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.637 1.430 -11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.465 0.312 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.577 -1.003 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.597 -0.687 -9.369 1.00 0.00 H new ATOM 491 N SER A 52 -8.343 -2.388 -13.225 1.00 0.00 N ATOM 492 CA SER A 52 -7.239 -2.850 -14.050 1.00 0.00 C ATOM 493 C SER A 52 -7.094 -1.953 -15.280 1.00 0.00 C ATOM 494 O SER A 52 -7.809 -2.124 -16.266 1.00 0.00 O ATOM 495 CB SER A 52 -7.443 -4.306 -14.475 1.00 0.00 C ATOM 496 OG SER A 52 -7.372 -5.201 -13.369 1.00 0.00 O ATOM 0 H SER A 52 -9.266 -2.501 -13.645 1.00 0.00 H new ATOM 0 HA SER A 52 -6.324 -2.796 -13.460 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.413 -4.409 -14.962 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.686 -4.578 -15.211 1.00 0.00 H new ATOM 0 HG SER A 52 -7.509 -6.119 -13.682 1.00 0.00 H new ATOM 502 N GLU A 53 -6.163 -1.015 -15.183 1.00 0.00 N ATOM 503 CA GLU A 53 -5.915 -0.091 -16.275 1.00 0.00 C ATOM 504 C GLU A 53 -4.685 -0.530 -17.074 1.00 0.00 C ATOM 505 O GLU A 53 -3.564 -0.132 -16.764 1.00 0.00 O ATOM 506 CB GLU A 53 -5.749 1.339 -15.757 1.00 0.00 C ATOM 507 CG GLU A 53 -4.812 1.379 -14.548 1.00 0.00 C ATOM 508 CD GLU A 53 -4.415 2.818 -14.210 1.00 0.00 C ATOM 509 OE1 GLU A 53 -5.319 3.569 -13.785 1.00 0.00 O ATOM 510 OE2 GLU A 53 -3.219 3.132 -14.382 1.00 0.00 O ATOM 0 H GLU A 53 -5.571 -0.876 -14.364 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.780 -0.104 -16.939 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.353 1.973 -16.550 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.722 1.745 -15.481 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.302 0.922 -13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.918 0.791 -14.756 1.00 0.00 H new ATOM 517 N GLY A 54 -4.938 -1.346 -18.087 1.00 0.00 N ATOM 518 CA GLY A 54 -3.866 -1.843 -18.932 1.00 0.00 C ATOM 519 C GLY A 54 -3.139 -3.011 -18.264 1.00 0.00 C ATOM 520 O GLY A 54 -3.650 -4.128 -18.231 1.00 0.00 O ATOM 0 H GLY A 54 -5.869 -1.675 -18.341 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.273 -2.164 -19.891 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.159 -1.040 -19.138 1.00 0.00 H new ATOM 524 N ASP A 55 -1.955 -2.711 -17.749 1.00 0.00 N ATOM 525 CA ASP A 55 -1.151 -3.723 -17.082 1.00 0.00 C ATOM 526 C ASP A 55 -0.863 -3.277 -15.648 1.00 0.00 C ATOM 527 O ASP A 55 -0.177 -3.975 -14.903 1.00 0.00 O ATOM 528 CB ASP A 55 0.189 -3.918 -17.795 1.00 0.00 C ATOM 529 CG ASP A 55 0.092 -4.491 -19.211 1.00 0.00 C ATOM 530 OD1 ASP A 55 -0.875 -5.245 -19.452 1.00 0.00 O ATOM 531 OD2 ASP A 55 0.986 -4.161 -20.019 1.00 0.00 O ATOM 0 H ASP A 55 -1.533 -1.783 -17.780 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.708 -4.660 -17.096 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.701 -2.957 -17.843 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.811 -4.581 -17.193 1.00 0.00 H new ATOM 536 N LEU A 56 -1.403 -2.116 -15.304 1.00 0.00 N ATOM 537 CA LEU A 56 -1.213 -1.568 -13.972 1.00 0.00 C ATOM 538 C LEU A 56 -2.429 -1.907 -13.107 1.00 0.00 C ATOM 539 O LEU A 56 -3.525 -2.114 -13.625 1.00 0.00 O ATOM 540 CB LEU A 56 -0.909 -0.070 -14.047 1.00 0.00 C ATOM 541 CG LEU A 56 0.200 0.341 -15.016 1.00 0.00 C ATOM 542 CD1 LEU A 56 0.852 1.655 -14.579 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.226 -0.780 -15.185 1.00 0.00 C ATOM 0 H LEU A 56 -1.972 -1.540 -15.925 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.345 -2.022 -13.494 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.823 0.452 -14.329 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.639 0.276 -13.049 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.249 0.514 -15.994 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.637 1.924 -15.285 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.100 2.444 -14.554 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.284 1.534 -13.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.003 -0.460 -15.879 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.675 -1.011 -14.219 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.732 -1.669 -15.577 1.00 0.00 H new ATOM 555 N ILE A 57 -2.194 -1.954 -11.803 1.00 0.00 N ATOM 556 CA ILE A 57 -3.257 -2.263 -10.863 1.00 0.00 C ATOM 557 C ILE A 57 -3.619 -1.002 -10.077 1.00 0.00 C ATOM 558 O ILE A 57 -2.740 -0.240 -9.679 1.00 0.00 O ATOM 559 CB ILE A 57 -2.861 -3.447 -9.979 1.00 0.00 C ATOM 560 CG1 ILE A 57 -4.038 -4.403 -9.781 1.00 0.00 C ATOM 561 CG2 ILE A 57 -2.283 -2.966 -8.646 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.714 -5.464 -8.727 1.00 0.00 C ATOM 0 H ILE A 57 -1.283 -1.783 -11.376 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.156 -2.577 -11.393 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.076 -4.006 -10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.920 -3.840 -9.476 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.280 -4.888 -10.727 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.009 -3.827 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.398 -2.357 -8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.029 -2.371 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.568 -6.130 -8.607 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.846 -6.041 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.496 -4.978 -7.776 1.00 0.00 H new ATOM 574 N ILE A 58 -4.918 -0.821 -9.876 1.00 0.00 N ATOM 575 CA ILE A 58 -5.408 0.335 -9.145 1.00 0.00 C ATOM 576 C ILE A 58 -6.233 -0.138 -7.946 1.00 0.00 C ATOM 577 O ILE A 58 -7.018 -1.077 -8.061 1.00 0.00 O ATOM 578 CB ILE A 58 -6.166 1.278 -10.080 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.381 1.519 -11.370 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.518 2.586 -9.370 1.00 0.00 C ATOM 581 CD1 ILE A 58 -4.220 2.488 -11.133 1.00 0.00 C ATOM 0 H ILE A 58 -5.645 -1.456 -10.207 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.576 0.917 -8.750 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.105 0.800 -10.360 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.997 0.572 -11.749 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.045 1.922 -12.134 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.057 3.239 -10.057 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.145 2.373 -8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.603 3.080 -9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.678 2.642 -12.066 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.609 3.442 -10.778 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.545 2.071 -10.386 1.00 0.00 H new ATOM 593 N ALA A 59 -6.026 0.534 -6.823 1.00 0.00 N ATOM 594 CA ALA A 59 -6.740 0.195 -5.605 1.00 0.00 C ATOM 595 C ALA A 59 -7.858 1.213 -5.374 1.00 0.00 C ATOM 596 O ALA A 59 -7.669 2.408 -5.596 1.00 0.00 O ATOM 597 CB ALA A 59 -5.756 0.133 -4.436 1.00 0.00 C ATOM 0 H ALA A 59 -5.373 1.312 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.203 -0.788 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.292 -0.121 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.000 -0.626 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.273 1.103 -4.315 1.00 0.00 H new ATOM 603 N SER A 60 -8.998 0.703 -4.930 1.00 0.00 N ATOM 604 CA SER A 60 -10.146 1.554 -4.666 1.00 0.00 C ATOM 605 C SER A 60 -10.373 1.673 -3.158 1.00 0.00 C ATOM 606 O SER A 60 -11.008 0.811 -2.552 1.00 0.00 O ATOM 607 CB SER A 60 -11.401 1.013 -5.351 1.00 0.00 C ATOM 608 OG SER A 60 -12.150 2.046 -5.986 1.00 0.00 O ATOM 0 H SER A 60 -9.151 -0.289 -4.747 1.00 0.00 H new ATOM 0 HA SER A 60 -9.940 2.543 -5.075 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.116 0.265 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.028 0.511 -4.614 1.00 0.00 H new ATOM 0 HG SER A 60 -12.943 1.660 -6.413 1.00 0.00 H new ATOM 614 N ILE A 61 -9.841 2.747 -2.594 1.00 0.00 N ATOM 615 CA ILE A 61 -9.978 2.991 -1.168 1.00 0.00 C ATOM 616 C ILE A 61 -10.685 4.329 -0.947 1.00 0.00 C ATOM 617 O ILE A 61 -10.609 5.222 -1.791 1.00 0.00 O ATOM 618 CB ILE A 61 -8.617 2.892 -0.475 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.759 4.123 -0.778 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.904 1.591 -0.845 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.441 4.076 -0.001 1.00 0.00 C ATOM 0 H ILE A 61 -9.314 3.459 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.601 2.223 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.783 2.870 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.554 4.174 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.308 5.027 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.940 1.548 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.514 0.742 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.749 1.555 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.850 4.962 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.650 4.050 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.884 3.183 -0.284 1.00 0.00 H new ATOM 633 N PRO A 62 -11.377 4.429 0.218 1.00 0.00 N ATOM 634 CA PRO A 62 -12.098 5.644 0.560 1.00 0.00 C ATOM 635 C PRO A 62 -11.134 6.748 0.995 1.00 0.00 C ATOM 636 O PRO A 62 -10.212 6.503 1.771 1.00 0.00 O ATOM 637 CB PRO A 62 -13.065 5.231 1.659 1.00 0.00 C ATOM 638 CG PRO A 62 -12.531 3.921 2.214 1.00 0.00 C ATOM 639 CD PRO A 62 -11.490 3.393 1.241 1.00 0.00 C ATOM 0 HA PRO A 62 -12.637 6.067 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.119 5.992 2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.074 5.106 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.090 4.075 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.340 3.200 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.535 3.222 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.799 2.442 0.808 1.00 0.00 H new ATOM 647 N GLY A 63 -11.382 7.943 0.477 1.00 0.00 N ATOM 648 CA GLY A 63 -10.548 9.087 0.803 1.00 0.00 C ATOM 649 C GLY A 63 -9.533 9.361 -0.309 1.00 0.00 C ATOM 650 O GLY A 63 -9.083 10.492 -0.478 1.00 0.00 O ATOM 0 H GLY A 63 -12.148 8.143 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.174 9.967 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.024 8.904 1.741 1.00 0.00 H new ATOM 654 N ILE A 64 -9.204 8.305 -1.039 1.00 0.00 N ATOM 655 CA ILE A 64 -8.251 8.418 -2.130 1.00 0.00 C ATOM 656 C ILE A 64 -8.993 8.299 -3.462 1.00 0.00 C ATOM 657 O ILE A 64 -10.001 7.601 -3.557 1.00 0.00 O ATOM 658 CB ILE A 64 -7.122 7.398 -1.962 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.213 7.776 -0.791 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.338 7.229 -3.265 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.722 7.168 0.517 1.00 0.00 C ATOM 0 H ILE A 64 -9.580 7.368 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.771 9.396 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.566 6.431 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.198 7.429 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.166 8.861 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.542 6.499 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.009 6.882 -4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.904 8.186 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.058 7.452 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.727 7.536 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.744 6.082 0.429 1.00 0.00 H new ATOM 673 N SER A 65 -8.466 8.993 -4.460 1.00 0.00 N ATOM 674 CA SER A 65 -9.065 8.975 -5.784 1.00 0.00 C ATOM 675 C SER A 65 -8.604 7.734 -6.550 1.00 0.00 C ATOM 676 O SER A 65 -9.418 6.886 -6.914 1.00 0.00 O ATOM 677 CB SER A 65 -8.714 10.243 -6.566 1.00 0.00 C ATOM 678 OG SER A 65 -9.437 10.332 -7.790 1.00 0.00 O ATOM 0 H SER A 65 -7.630 9.572 -4.378 1.00 0.00 H new ATOM 0 HA SER A 65 -10.148 8.941 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.929 11.118 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.644 10.256 -6.775 1.00 0.00 H new ATOM 0 HG SER A 65 -9.187 11.155 -8.259 1.00 0.00 H new ATOM 684 N ARG A 66 -7.299 7.666 -6.774 1.00 0.00 N ATOM 685 CA ARG A 66 -6.721 6.543 -7.490 1.00 0.00 C ATOM 686 C ARG A 66 -5.253 6.364 -7.098 1.00 0.00 C ATOM 687 O ARG A 66 -4.526 7.342 -6.930 1.00 0.00 O ATOM 688 CB ARG A 66 -6.815 6.747 -9.004 1.00 0.00 C ATOM 689 CG ARG A 66 -6.173 8.072 -9.420 1.00 0.00 C ATOM 690 CD ARG A 66 -6.249 8.265 -10.936 1.00 0.00 C ATOM 691 NE ARG A 66 -4.963 8.793 -11.444 1.00 0.00 N ATOM 692 CZ ARG A 66 -4.817 9.406 -12.627 1.00 0.00 C ATOM 693 NH1 ARG A 66 -5.878 9.572 -13.431 1.00 0.00 N ATOM 694 NH2 ARG A 66 -3.613 9.852 -13.006 1.00 0.00 N ATOM 0 H ARG A 66 -6.627 8.371 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.286 5.651 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.320 5.922 -9.517 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.860 6.733 -9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.678 8.898 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.132 8.093 -9.099 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.479 7.316 -11.421 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.057 8.953 -11.183 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.136 8.684 -10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.795 9.232 -13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.768 10.038 -14.331 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.807 9.725 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.502 10.318 -13.906 1.00 0.00 H new ATOM 708 N ILE A 67 -4.859 5.106 -6.963 1.00 0.00 N ATOM 709 CA ILE A 67 -3.490 4.784 -6.594 1.00 0.00 C ATOM 710 C ILE A 67 -3.021 3.571 -7.398 1.00 0.00 C ATOM 711 O ILE A 67 -3.820 2.699 -7.736 1.00 0.00 O ATOM 712 CB ILE A 67 -3.373 4.602 -5.080 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.314 3.503 -4.586 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.604 5.927 -4.349 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.635 4.095 -4.088 1.00 0.00 C ATOM 0 H ILE A 67 -5.464 4.297 -7.103 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.823 5.609 -6.845 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.356 4.282 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.509 2.797 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.836 2.944 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.515 5.770 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.860 6.655 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.602 6.301 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.286 3.292 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.438 4.782 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.122 4.633 -4.901 1.00 0.00 H new ATOM 727 N GLU A 68 -1.727 3.554 -7.681 1.00 0.00 N ATOM 728 CA GLU A 68 -1.141 2.460 -8.440 1.00 0.00 C ATOM 729 C GLU A 68 -0.350 1.535 -7.511 1.00 0.00 C ATOM 730 O GLU A 68 0.376 2.001 -6.634 1.00 0.00 O ATOM 731 CB GLU A 68 -0.256 2.989 -9.569 1.00 0.00 C ATOM 732 CG GLU A 68 -0.975 2.895 -10.917 1.00 0.00 C ATOM 733 CD GLU A 68 -0.220 3.672 -11.996 1.00 0.00 C ATOM 734 OE1 GLU A 68 1.028 3.667 -11.931 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.908 4.257 -12.862 1.00 0.00 O ATOM 0 H GLU A 68 -1.067 4.279 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.948 1.885 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.015 4.026 -9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.672 2.418 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.066 1.850 -11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.987 3.288 -10.822 1.00 0.00 H new ATOM 742 N ILE A 69 -0.518 0.240 -7.736 1.00 0.00 N ATOM 743 CA ILE A 69 0.172 -0.754 -6.932 1.00 0.00 C ATOM 744 C ILE A 69 1.056 -1.613 -7.838 1.00 0.00 C ATOM 745 O ILE A 69 0.660 -1.963 -8.948 1.00 0.00 O ATOM 746 CB ILE A 69 -0.832 -1.564 -6.106 1.00 0.00 C ATOM 747 CG1 ILE A 69 -2.138 -0.791 -5.919 1.00 0.00 C ATOM 748 CG2 ILE A 69 -0.221 -1.992 -4.771 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.954 0.368 -4.935 1.00 0.00 C ATOM 0 H ILE A 69 -1.122 -0.144 -8.463 1.00 0.00 H new ATOM 0 HA ILE A 69 0.830 -0.270 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.074 -2.474 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.478 -0.406 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.914 -1.464 -5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.953 -2.566 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.659 -2.608 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.067 -1.108 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.898 0.901 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.638 -0.023 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.195 1.052 -5.316 1.00 0.00 H new ATOM 761 N LYS A 70 2.239 -1.928 -7.329 1.00 0.00 N ATOM 762 CA LYS A 70 3.183 -2.739 -8.079 1.00 0.00 C ATOM 763 C LYS A 70 3.865 -3.727 -7.131 1.00 0.00 C ATOM 764 O LYS A 70 4.892 -3.410 -6.533 1.00 0.00 O ATOM 765 CB LYS A 70 4.163 -1.848 -8.848 1.00 0.00 C ATOM 766 CG LYS A 70 3.800 -1.788 -10.332 1.00 0.00 C ATOM 767 CD LYS A 70 2.815 -0.651 -10.610 1.00 0.00 C ATOM 768 CE LYS A 70 3.554 0.667 -10.855 1.00 0.00 C ATOM 769 NZ LYS A 70 3.057 1.319 -12.087 1.00 0.00 N ATOM 0 H LYS A 70 2.565 -1.636 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 70 2.663 -3.328 -8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.154 -0.843 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.177 -2.232 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.703 -1.645 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.362 -2.737 -10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.206 -0.897 -11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.135 -0.539 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.415 1.332 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.624 0.480 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.796 1.941 -12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.813 0.593 -12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.212 1.883 -11.865 1.00 0.00 H new ATOM 783 N PRO A 71 3.251 -4.935 -7.022 1.00 0.00 N ATOM 784 CA PRO A 71 3.788 -5.972 -6.157 1.00 0.00 C ATOM 785 C PRO A 71 5.026 -6.619 -6.780 1.00 0.00 C ATOM 786 O PRO A 71 5.010 -6.999 -7.950 1.00 0.00 O ATOM 787 CB PRO A 71 2.642 -6.951 -5.958 1.00 0.00 C ATOM 788 CG PRO A 71 1.658 -6.676 -7.085 1.00 0.00 C ATOM 789 CD PRO A 71 2.034 -5.344 -7.716 1.00 0.00 C ATOM 0 HA PRO A 71 4.133 -5.584 -5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.998 -7.981 -5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.171 -6.809 -4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.694 -7.474 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.638 -6.643 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.205 -5.448 -8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.240 -4.608 -7.590 1.00 0.00 H new ATOM 797 N ASP A 72 6.070 -6.725 -5.971 1.00 0.00 N ATOM 798 CA ASP A 72 7.314 -7.321 -6.428 1.00 0.00 C ATOM 799 C ASP A 72 7.840 -8.278 -5.356 1.00 0.00 C ATOM 800 O ASP A 72 7.592 -8.081 -4.167 1.00 0.00 O ATOM 801 CB ASP A 72 8.379 -6.250 -6.671 1.00 0.00 C ATOM 802 CG ASP A 72 9.076 -6.328 -8.031 1.00 0.00 C ATOM 803 OD1 ASP A 72 9.999 -7.163 -8.149 1.00 0.00 O ATOM 804 OD2 ASP A 72 8.669 -5.552 -8.922 1.00 0.00 O ATOM 0 H ASP A 72 6.080 -6.408 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 72 7.114 -7.849 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.915 -5.269 -6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.134 -6.325 -5.888 1.00 0.00 H new ATOM 809 N LYS A 73 8.558 -9.292 -5.815 1.00 0.00 N ATOM 810 CA LYS A 73 9.122 -10.279 -4.912 1.00 0.00 C ATOM 811 C LYS A 73 10.015 -9.575 -3.887 1.00 0.00 C ATOM 812 O LYS A 73 9.980 -9.900 -2.700 1.00 0.00 O ATOM 813 CB LYS A 73 9.839 -11.379 -5.698 1.00 0.00 C ATOM 814 CG LYS A 73 8.895 -12.547 -5.989 1.00 0.00 C ATOM 815 CD LYS A 73 9.681 -13.815 -6.329 1.00 0.00 C ATOM 816 CE LYS A 73 8.779 -14.861 -6.987 1.00 0.00 C ATOM 817 NZ LYS A 73 9.539 -16.099 -7.268 1.00 0.00 N ATOM 0 H LYS A 73 8.762 -9.451 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 73 8.330 -10.781 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.220 -10.972 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.700 -11.734 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.259 -12.730 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.237 -12.289 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.505 -13.568 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.121 -14.228 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.936 -15.085 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.366 -14.462 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.911 -16.798 -7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.329 -15.883 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.912 -16.487 -6.378 1.00 0.00 H new ATOM 831 N ARG A 74 10.792 -8.624 -4.381 1.00 0.00 N ATOM 832 CA ARG A 74 11.692 -7.872 -3.524 1.00 0.00 C ATOM 833 C ARG A 74 10.895 -6.993 -2.558 1.00 0.00 C ATOM 834 O ARG A 74 10.971 -7.171 -1.344 1.00 0.00 O ATOM 835 CB ARG A 74 12.631 -6.989 -4.350 1.00 0.00 C ATOM 836 CG ARG A 74 14.049 -7.560 -4.365 1.00 0.00 C ATOM 837 CD ARG A 74 14.942 -6.784 -5.334 1.00 0.00 C ATOM 838 NE ARG A 74 16.367 -7.074 -5.052 1.00 0.00 N ATOM 839 CZ ARG A 74 16.958 -8.249 -5.306 1.00 0.00 C ATOM 840 NH1 ARG A 74 16.253 -9.251 -5.849 1.00 0.00 N ATOM 841 NH2 ARG A 74 18.255 -8.422 -5.019 1.00 0.00 N ATOM 0 H ARG A 74 10.817 -8.356 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 74 12.289 -8.589 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.257 -6.909 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.646 -5.981 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.472 -7.518 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.019 -8.610 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.703 -7.059 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.754 -5.715 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 74 16.933 -6.333 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.266 -9.119 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.704 -10.145 -6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.792 -7.659 -4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.705 -9.317 -5.212 1.00 0.00 H new ATOM 855 N LYS A 75 10.146 -6.064 -3.135 1.00 0.00 N ATOM 856 CA LYS A 75 9.334 -5.157 -2.340 1.00 0.00 C ATOM 857 C LYS A 75 8.137 -4.690 -3.171 1.00 0.00 C ATOM 858 O LYS A 75 7.840 -5.267 -4.216 1.00 0.00 O ATOM 859 CB LYS A 75 10.189 -4.011 -1.796 1.00 0.00 C ATOM 860 CG LYS A 75 10.899 -3.268 -2.929 1.00 0.00 C ATOM 861 CD LYS A 75 10.053 -2.097 -3.432 1.00 0.00 C ATOM 862 CE LYS A 75 10.939 -0.986 -4.001 1.00 0.00 C ATOM 863 NZ LYS A 75 11.585 -0.227 -2.908 1.00 0.00 N ATOM 0 H LYS A 75 10.084 -5.920 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 75 8.935 -5.670 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.560 -3.316 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.927 -4.404 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.864 -2.900 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.099 -3.956 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.362 -2.446 -4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.449 -1.703 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.700 -1.417 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.340 -0.313 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.426 0.791 -3.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.178 -0.517 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.607 -0.421 -2.908 1.00 0.00 H new ATOM 877 N ILE A 76 7.483 -3.651 -2.674 1.00 0.00 N ATOM 878 CA ILE A 76 6.324 -3.101 -3.358 1.00 0.00 C ATOM 879 C ILE A 76 6.364 -1.573 -3.271 1.00 0.00 C ATOM 880 O ILE A 76 6.979 -1.016 -2.363 1.00 0.00 O ATOM 881 CB ILE A 76 5.036 -3.714 -2.807 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.474 -2.872 -1.659 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.255 -5.172 -2.396 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.170 -3.471 -1.128 1.00 0.00 C ATOM 0 H ILE A 76 7.733 -3.175 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 76 6.347 -3.362 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 76 4.290 -3.712 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.206 -2.814 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.297 -1.853 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.324 -5.584 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.574 -5.750 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.023 -5.221 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.791 -2.854 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.432 -3.506 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.356 -4.481 -0.762 1.00 0.00 H new ATOM 896 N LEU A 77 5.700 -0.940 -4.227 1.00 0.00 N ATOM 897 CA LEU A 77 5.653 0.511 -4.270 1.00 0.00 C ATOM 898 C LEU A 77 4.253 0.959 -4.696 1.00 0.00 C ATOM 899 O LEU A 77 3.533 0.212 -5.356 1.00 0.00 O ATOM 900 CB LEU A 77 6.770 1.058 -5.160 1.00 0.00 C ATOM 901 CG LEU A 77 7.287 0.112 -6.246 1.00 0.00 C ATOM 902 CD1 LEU A 77 8.150 -0.997 -5.642 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.133 -0.450 -7.078 1.00 0.00 C ATOM 0 H LEU A 77 5.190 -1.406 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 77 5.834 0.927 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.412 1.969 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.608 1.341 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 77 7.923 0.684 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.504 -1.655 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.004 -0.555 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.557 -1.573 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.528 -1.119 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.452 -1.001 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.596 0.370 -7.555 1.00 0.00 H new ATOM 915 N VAL A 78 3.910 2.175 -4.301 1.00 0.00 N ATOM 916 CA VAL A 78 2.610 2.731 -4.632 1.00 0.00 C ATOM 917 C VAL A 78 2.788 4.156 -5.162 1.00 0.00 C ATOM 918 O VAL A 78 3.681 4.878 -4.722 1.00 0.00 O ATOM 919 CB VAL A 78 1.683 2.658 -3.417 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.252 2.317 -3.838 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.206 1.653 -2.388 1.00 0.00 C ATOM 0 H VAL A 78 4.511 2.792 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 78 2.136 2.147 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 78 1.668 3.642 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.386 2.271 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.121 3.085 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.242 1.351 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.529 1.620 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.265 0.664 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.197 1.958 -2.053 1.00 0.00 H new ATOM 931 N ASN A 79 1.926 4.517 -6.100 1.00 0.00 N ATOM 932 CA ASN A 79 1.977 5.841 -6.695 1.00 0.00 C ATOM 933 C ASN A 79 0.622 6.531 -6.513 1.00 0.00 C ATOM 934 O ASN A 79 -0.416 5.968 -6.860 1.00 0.00 O ATOM 935 CB ASN A 79 2.269 5.761 -8.195 1.00 0.00 C ATOM 936 CG ASN A 79 3.490 4.881 -8.468 1.00 0.00 C ATOM 937 OD1 ASN A 79 3.800 3.958 -7.734 1.00 0.00 O ATOM 938 ND2 ASN A 79 4.165 5.219 -9.564 1.00 0.00 N ATOM 0 H ASN A 79 1.187 3.915 -6.463 1.00 0.00 H new ATOM 0 HA ASN A 79 2.772 6.401 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.401 5.358 -8.717 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.442 6.762 -8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.997 4.693 -9.833 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.851 6.004 -10.135 1.00 0.00 H new ATOM 945 N THR A 80 0.678 7.738 -5.969 1.00 0.00 N ATOM 946 CA THR A 80 -0.532 8.509 -5.738 1.00 0.00 C ATOM 947 C THR A 80 -0.556 9.748 -6.636 1.00 0.00 C ATOM 948 O THR A 80 0.483 10.357 -6.886 1.00 0.00 O ATOM 949 CB THR A 80 -0.604 8.840 -4.244 1.00 0.00 C ATOM 950 OG1 THR A 80 0.491 9.727 -4.034 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.281 7.632 -3.362 1.00 0.00 C ATOM 0 H THR A 80 1.541 8.200 -5.682 1.00 0.00 H new ATOM 0 HA THR A 80 -1.421 7.937 -6.003 1.00 0.00 H new ATOM 0 HB THR A 80 -1.599 9.211 -4.000 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.519 9.994 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.346 7.920 -2.313 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.994 6.833 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.728 7.281 -3.580 1.00 0.00 H new ATOM 959 N GLY A 81 -1.753 10.083 -7.096 1.00 0.00 N ATOM 960 CA GLY A 81 -1.923 11.237 -7.962 1.00 0.00 C ATOM 961 C GLY A 81 -2.130 12.511 -7.141 1.00 0.00 C ATOM 962 O GLY A 81 -1.167 13.188 -6.786 1.00 0.00 O ATOM 0 H GLY A 81 -2.613 9.576 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.047 11.350 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.778 11.080 -8.619 1.00 0.00 H new ATOM 966 N ASP A 82 -3.394 12.801 -6.864 1.00 0.00 N ATOM 967 CA ASP A 82 -3.739 13.982 -6.091 1.00 0.00 C ATOM 968 C ASP A 82 -4.934 13.665 -5.190 1.00 0.00 C ATOM 969 O ASP A 82 -6.037 13.424 -5.678 1.00 0.00 O ATOM 970 CB ASP A 82 -4.132 15.143 -7.008 1.00 0.00 C ATOM 971 CG ASP A 82 -4.072 16.527 -6.357 1.00 0.00 C ATOM 972 OD1 ASP A 82 -2.983 16.867 -5.847 1.00 0.00 O ATOM 973 OD2 ASP A 82 -5.116 17.213 -6.386 1.00 0.00 O ATOM 0 H ASP A 82 -4.191 12.238 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.868 14.267 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.475 15.138 -7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.145 14.972 -7.372 1.00 0.00 H new ATOM 978 N TYR A 83 -4.674 13.675 -3.891 1.00 0.00 N ATOM 979 CA TYR A 83 -5.715 13.392 -2.918 1.00 0.00 C ATOM 980 C TYR A 83 -6.748 14.520 -2.875 1.00 0.00 C ATOM 981 O TYR A 83 -6.467 15.639 -3.301 1.00 0.00 O ATOM 982 CB TYR A 83 -5.011 13.308 -1.561 1.00 0.00 C ATOM 983 CG TYR A 83 -4.526 11.902 -1.196 1.00 0.00 C ATOM 984 CD1 TYR A 83 -3.943 11.104 -2.159 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.671 11.437 0.094 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.487 9.781 -1.816 1.00 0.00 C ATOM 987 CE2 TYR A 83 -4.214 10.114 0.438 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.644 9.353 -0.535 1.00 0.00 C ATOM 989 OH TYR A 83 -3.213 8.104 -0.211 1.00 0.00 O ATOM 0 H TYR A 83 -3.758 13.875 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.241 12.472 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.158 13.986 -1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.694 13.658 -0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.829 11.471 -3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.127 12.064 0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.031 9.144 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.321 9.736 1.444 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.807 7.719 0.467 1.00 0.00 H new ATOM 999 N ASP A 84 -7.919 14.186 -2.355 1.00 0.00 N ATOM 1000 CA ASP A 84 -8.995 15.156 -2.251 1.00 0.00 C ATOM 1001 C ASP A 84 -8.603 16.240 -1.244 1.00 0.00 C ATOM 1002 O ASP A 84 -8.466 15.966 -0.053 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.286 14.498 -1.758 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.500 14.694 -2.667 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -11.906 15.865 -2.828 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -11.995 13.668 -3.182 1.00 0.00 O ATOM 0 H ASP A 84 -8.147 13.257 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.162 15.580 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.109 13.429 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.523 14.893 -0.770 1.00 0.00 H new ATOM 1011 N SER A 85 -8.433 17.448 -1.760 1.00 0.00 N ATOM 1012 CA SER A 85 -8.059 18.575 -0.922 1.00 0.00 C ATOM 1013 C SER A 85 -9.134 18.816 0.139 1.00 0.00 C ATOM 1014 O SER A 85 -8.822 18.989 1.317 1.00 0.00 O ATOM 1015 CB SER A 85 -7.845 19.838 -1.759 1.00 0.00 C ATOM 1016 OG SER A 85 -6.612 20.480 -1.451 1.00 0.00 O ATOM 0 H SER A 85 -8.547 17.671 -2.749 1.00 0.00 H new ATOM 0 HA SER A 85 -7.117 18.337 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.864 19.579 -2.818 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.668 20.531 -1.586 1.00 0.00 H new ATOM 0 HG SER A 85 -6.512 21.281 -2.007 1.00 0.00 H new ATOM 1022 N ASP A 86 -10.379 18.821 -0.315 1.00 0.00 N ATOM 1023 CA ASP A 86 -11.502 19.039 0.581 1.00 0.00 C ATOM 1024 C ASP A 86 -11.433 18.034 1.733 1.00 0.00 C ATOM 1025 O ASP A 86 -11.688 18.386 2.884 1.00 0.00 O ATOM 1026 CB ASP A 86 -12.833 18.834 -0.144 1.00 0.00 C ATOM 1027 CG ASP A 86 -14.042 19.485 0.527 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -14.210 20.709 0.335 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -14.775 18.745 1.219 1.00 0.00 O ATOM 0 H ASP A 86 -10.635 18.678 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.445 20.063 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.742 19.228 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.019 17.764 -0.234 1.00 0.00 H new ATOM 1034 N ALA A 87 -11.084 16.805 1.383 1.00 0.00 N ATOM 1035 CA ALA A 87 -10.977 15.747 2.374 1.00 0.00 C ATOM 1036 C ALA A 87 -9.618 15.841 3.070 1.00 0.00 C ATOM 1037 O ALA A 87 -8.583 15.916 2.411 1.00 0.00 O ATOM 1038 CB ALA A 87 -11.193 14.392 1.699 1.00 0.00 C ATOM 0 H ALA A 87 -10.872 16.518 0.428 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.747 15.858 3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.113 13.598 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.184 14.365 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.437 14.245 0.928 1.00 0.00 H new ATOM 1044 N ASP A 88 -9.666 15.835 4.395 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.450 15.920 5.187 1.00 0.00 C ATOM 1046 C ASP A 88 -7.461 14.854 4.710 1.00 0.00 C ATOM 1047 O ASP A 88 -7.569 13.689 5.087 1.00 0.00 O ATOM 1048 CB ASP A 88 -8.741 15.666 6.667 1.00 0.00 C ATOM 1049 CG ASP A 88 -9.266 16.878 7.440 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -10.382 17.328 7.101 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -8.538 17.328 8.352 1.00 0.00 O ATOM 0 H ASP A 88 -10.527 15.773 4.939 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.036 16.921 5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.471 14.860 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.827 15.316 7.147 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.518 15.294 3.889 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.511 14.393 3.357 1.00 0.00 C ATOM 1058 C LYS A 89 -4.880 13.605 4.506 1.00 0.00 C ATOM 1059 O LYS A 89 -4.452 12.466 4.321 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.495 15.165 2.511 1.00 0.00 C ATOM 1061 CG LYS A 89 -4.741 14.940 1.018 1.00 0.00 C ATOM 1062 CD LYS A 89 -3.969 15.956 0.175 1.00 0.00 C ATOM 1063 CE LYS A 89 -4.743 16.316 -1.095 1.00 0.00 C ATOM 1064 NZ LYS A 89 -4.929 17.781 -1.191 1.00 0.00 N ATOM 0 H LYS A 89 -6.431 16.262 3.580 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.967 13.667 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.561 16.229 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.485 14.847 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.437 13.930 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.807 15.021 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.786 16.857 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.995 15.547 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.205 15.954 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.714 15.820 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.693 17.991 -1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.178 18.161 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.047 18.222 -1.520 1.00 0.00 H new ATOM 1078 N LEU A 90 -4.844 14.240 5.668 1.00 0.00 N ATOM 1079 CA LEU A 90 -4.273 13.612 6.847 1.00 0.00 C ATOM 1080 C LEU A 90 -5.255 12.574 7.393 1.00 0.00 C ATOM 1081 O LEU A 90 -4.844 11.553 7.943 1.00 0.00 O ATOM 1082 CB LEU A 90 -3.864 14.671 7.873 1.00 0.00 C ATOM 1083 CG LEU A 90 -2.462 14.520 8.469 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -1.391 14.965 7.471 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -2.350 15.266 9.800 1.00 0.00 C ATOM 0 H LEU A 90 -5.201 15.184 5.818 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.357 13.080 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.933 15.651 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.587 14.657 8.688 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.290 13.464 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.405 14.848 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.456 14.353 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.549 16.012 7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.345 15.143 10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.550 16.326 9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.075 14.862 10.506 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.536 12.871 7.223 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.581 11.977 7.691 1.00 0.00 C ATOM 1099 C ALA A 91 -7.569 10.700 6.847 1.00 0.00 C ATOM 1100 O ALA A 91 -7.527 9.596 7.386 1.00 0.00 O ATOM 1101 CB ALA A 91 -8.929 12.697 7.643 1.00 0.00 C ATOM 0 H ALA A 91 -6.873 13.719 6.767 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.404 11.688 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.713 12.026 7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.893 13.579 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.143 13.000 6.618 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.610 10.896 5.537 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.605 9.775 4.613 1.00 0.00 C ATOM 1109 C VAL A 92 -6.295 9.000 4.763 1.00 0.00 C ATOM 1110 O VAL A 92 -6.262 7.785 4.578 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.847 10.272 3.187 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.124 11.109 3.107 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.641 11.058 2.668 1.00 0.00 C ATOM 0 H VAL A 92 -7.647 11.814 5.094 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.417 9.086 4.845 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.979 9.400 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.272 11.450 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.976 10.503 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.035 11.972 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.839 11.400 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.463 11.919 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.760 10.416 2.669 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.244 9.736 5.097 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.934 9.135 5.274 1.00 0.00 C ATOM 1125 C VAL A 93 -4.040 7.976 6.268 1.00 0.00 C ATOM 1126 O VAL A 93 -3.371 6.956 6.111 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.923 10.200 5.704 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.800 9.583 6.542 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.358 10.940 4.491 1.00 0.00 C ATOM 0 H VAL A 93 -5.274 10.744 5.250 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.572 8.724 4.332 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.445 10.927 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.095 10.361 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.223 9.122 7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.281 8.826 5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.642 11.691 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.859 10.230 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.170 11.427 3.951 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.886 8.171 7.268 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.089 7.155 8.287 1.00 0.00 C ATOM 1141 C ARG A 94 -5.761 5.921 7.680 1.00 0.00 C ATOM 1142 O ARG A 94 -5.555 4.804 8.150 1.00 0.00 O ATOM 1143 CB ARG A 94 -5.954 7.687 9.431 1.00 0.00 C ATOM 1144 CG ARG A 94 -7.438 7.423 9.166 1.00 0.00 C ATOM 1145 CD ARG A 94 -7.836 6.021 9.627 1.00 0.00 C ATOM 1146 NE ARG A 94 -8.583 6.101 10.903 1.00 0.00 N ATOM 1147 CZ ARG A 94 -9.354 5.118 11.386 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -9.485 3.972 10.703 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -9.995 5.279 12.552 1.00 0.00 N ATOM 0 H ARG A 94 -5.440 9.018 7.395 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.111 6.883 8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.658 7.212 10.366 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.787 8.758 9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.042 8.166 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.646 7.532 8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.450 5.540 8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.946 5.405 9.755 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.506 6.959 11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.998 3.849 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.072 3.223 11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.896 6.151 13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.582 4.530 12.919 1.00 0.00 H new ATOM 1163 N THR A 95 -6.550 6.166 6.644 1.00 0.00 N ATOM 1164 CA THR A 95 -7.252 5.089 5.968 1.00 0.00 C ATOM 1165 C THR A 95 -6.361 4.462 4.893 1.00 0.00 C ATOM 1166 O THR A 95 -6.450 3.264 4.631 1.00 0.00 O ATOM 1167 CB THR A 95 -8.564 5.653 5.417 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.412 5.741 6.559 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.281 4.667 4.493 1.00 0.00 C ATOM 0 H THR A 95 -6.718 7.094 6.257 1.00 0.00 H new ATOM 0 HA THR A 95 -7.493 4.280 6.658 1.00 0.00 H new ATOM 0 HB THR A 95 -8.363 6.577 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.284 6.099 6.292 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.205 5.116 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.637 4.427 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.512 3.755 5.043 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.522 5.301 4.304 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.615 4.842 3.263 1.00 0.00 C ATOM 1179 C TYR A 96 -3.539 3.922 3.842 1.00 0.00 C ATOM 1180 O TYR A 96 -3.225 2.885 3.259 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.947 6.099 2.704 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.745 5.816 1.802 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.937 5.540 0.464 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.469 5.835 2.326 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.805 5.271 -0.385 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.337 5.568 1.477 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.561 5.300 0.163 1.00 0.00 C ATOM 1188 OH TYR A 96 0.508 5.047 -0.640 1.00 0.00 O ATOM 0 H TYR A 96 -5.450 6.294 4.526 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.156 4.281 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.685 6.670 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.625 6.727 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.936 5.526 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.319 6.050 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.941 5.051 -1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.667 5.580 1.875 1.00 0.00 H new ATOM 0 HH TYR A 96 0.306 5.335 -1.555 1.00 0.00 H new ATOM 1198 N ASN A 97 -3.005 4.331 4.982 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.971 3.556 5.647 1.00 0.00 C ATOM 1200 C ASN A 97 -2.582 2.267 6.199 1.00 0.00 C ATOM 1201 O ASN A 97 -1.960 1.206 6.141 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.366 4.332 6.817 1.00 0.00 C ATOM 1203 CG ASN A 97 0.048 4.817 6.482 1.00 0.00 C ATOM 1204 OD1 ASN A 97 1.040 4.198 6.827 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.080 5.954 5.795 1.00 0.00 N ATOM 0 H ASN A 97 -3.269 5.191 5.464 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.191 3.340 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.999 5.186 7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.336 3.697 7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.975 6.361 5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.791 6.420 5.539 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.791 2.400 6.723 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.493 1.258 7.286 1.00 0.00 C ATOM 1214 C ASP A 98 -4.524 0.127 6.258 1.00 0.00 C ATOM 1215 O ASP A 98 -4.388 -1.044 6.612 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.937 1.619 7.637 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.464 0.992 8.929 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -6.213 1.591 9.995 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -7.110 -0.074 8.820 1.00 0.00 O ATOM 0 H ASP A 98 -4.303 3.281 6.770 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.968 0.951 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.015 2.703 7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.582 1.314 6.813 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.704 0.514 5.004 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.755 -0.454 3.921 1.00 0.00 C ATOM 1226 C PHE A 99 -3.354 -0.958 3.571 1.00 0.00 C ATOM 1227 O PHE A 99 -3.114 -2.165 3.545 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.344 0.265 2.705 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.079 -0.442 1.375 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.939 -0.181 0.681 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -5.985 -1.333 0.886 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.694 -0.839 -0.554 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -5.738 -1.990 -0.348 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.598 -1.729 -1.042 1.00 0.00 C ATOM 0 H PHE A 99 -4.816 1.485 4.713 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.358 -1.312 4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.421 0.367 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.932 1.273 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.220 0.526 1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.891 -1.540 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.789 -0.632 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.456 -2.698 -0.736 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.411 -2.229 -1.981 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.467 -0.011 3.309 1.00 0.00 N ATOM 1245 CA ILE A 100 -1.095 -0.344 2.961 1.00 0.00 C ATOM 1246 C ILE A 100 -0.489 -1.208 4.069 1.00 0.00 C ATOM 1247 O ILE A 100 0.305 -2.106 3.796 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.295 0.924 2.660 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.920 1.706 1.503 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.176 0.595 2.402 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.841 0.910 0.198 1.00 0.00 C ATOM 0 H ILE A 100 -2.671 0.988 3.330 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.066 -0.934 2.045 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.332 1.568 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.961 1.932 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.405 2.659 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.723 1.514 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.601 0.114 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.254 -0.078 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.292 1.488 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.203 0.706 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.377 -0.032 0.313 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.886 -0.904 5.297 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.391 -1.640 6.446 1.00 0.00 C ATOM 1265 C GLU A 101 -0.635 -3.138 6.262 1.00 0.00 C ATOM 1266 O GLU A 101 0.264 -3.950 6.482 1.00 0.00 O ATOM 1267 CB GLU A 101 -1.034 -1.133 7.740 1.00 0.00 C ATOM 1268 CG GLU A 101 -0.355 0.148 8.226 1.00 0.00 C ATOM 1269 CD GLU A 101 0.362 -0.082 9.557 1.00 0.00 C ATOM 1270 OE1 GLU A 101 0.932 -1.184 9.712 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.326 0.849 10.390 1.00 0.00 O ATOM 0 H GLU A 101 -1.545 -0.158 5.520 1.00 0.00 H new ATOM 0 HA GLU A 101 0.684 -1.475 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.095 -0.946 7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.963 -1.901 8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.360 0.491 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.099 0.937 8.341 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.855 -3.462 5.861 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.228 -4.849 5.644 1.00 0.00 C ATOM 1280 C LYS A 102 -1.802 -5.275 4.239 1.00 0.00 C ATOM 1281 O LYS A 102 -1.752 -6.466 3.934 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.719 -5.053 5.924 1.00 0.00 C ATOM 1283 CG LYS A 102 -3.939 -6.187 6.927 1.00 0.00 C ATOM 1284 CD LYS A 102 -3.326 -7.494 6.420 1.00 0.00 C ATOM 1285 CE LYS A 102 -3.176 -8.507 7.557 1.00 0.00 C ATOM 1286 NZ LYS A 102 -3.388 -9.884 7.055 1.00 0.00 N ATOM 0 H LYS A 102 -2.598 -2.787 5.681 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.704 -5.498 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.149 -4.130 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.240 -5.280 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.494 -5.921 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.007 -6.324 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.954 -7.914 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.351 -7.294 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.183 -8.423 7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.895 -8.286 8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.283 -10.559 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.345 -9.964 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.686 -10.097 6.318 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.509 -4.278 3.417 1.00 0.00 N ATOM 1301 CA LEU A 103 -1.089 -4.533 2.050 1.00 0.00 C ATOM 1302 C LEU A 103 0.407 -4.854 2.031 1.00 0.00 C ATOM 1303 O LEU A 103 0.884 -5.557 1.142 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.477 -3.363 1.142 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.352 -3.713 -0.064 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -1.705 -4.812 -0.910 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -3.769 -4.088 0.376 1.00 0.00 C ATOM 0 H LEU A 103 -1.554 -3.291 3.672 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.608 -5.404 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.001 -2.620 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.564 -2.892 0.779 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.435 -2.827 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.347 -5.042 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.735 -4.470 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.572 -5.708 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.369 -4.332 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.727 -4.952 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.221 -3.247 0.903 1.00 0.00 H new ATOM 1319 N THR A 104 1.106 -4.324 3.023 1.00 0.00 N ATOM 1320 CA THR A 104 2.538 -4.546 3.133 1.00 0.00 C ATOM 1321 C THR A 104 2.851 -5.428 4.343 1.00 0.00 C ATOM 1322 O THR A 104 3.608 -6.391 4.234 1.00 0.00 O ATOM 1323 CB THR A 104 3.225 -3.179 3.184 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.623 -2.529 4.300 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.856 -2.292 1.993 1.00 0.00 C ATOM 0 H THR A 104 0.707 -3.741 3.759 1.00 0.00 H new ATOM 0 HA THR A 104 2.921 -5.088 2.268 1.00 0.00 H new ATOM 0 HB THR A 104 4.306 -3.318 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.922 -1.920 3.985 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.370 -1.335 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.155 -2.783 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.779 -2.125 1.983 1.00 0.00 H new ATOM 1333 N GLY A 105 2.250 -5.069 5.468 1.00 0.00 N ATOM 1334 CA GLY A 105 2.456 -5.816 6.697 1.00 0.00 C ATOM 1335 C GLY A 105 3.244 -4.991 7.717 1.00 0.00 C ATOM 1336 O GLY A 105 3.099 -5.185 8.923 1.00 0.00 O ATOM 0 H GLY A 105 1.621 -4.271 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.492 -6.099 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.992 -6.740 6.479 1.00 0.00 H new ATOM 1340 N TYR A 106 4.061 -4.088 7.194 1.00 0.00 N ATOM 1341 CA TYR A 106 4.871 -3.232 8.042 1.00 0.00 C ATOM 1342 C TYR A 106 4.094 -1.984 8.466 1.00 0.00 C ATOM 1343 O TYR A 106 3.398 -1.376 7.654 1.00 0.00 O ATOM 1344 CB TYR A 106 6.071 -2.808 7.192 1.00 0.00 C ATOM 1345 CG TYR A 106 7.142 -3.889 7.043 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.898 -4.999 6.257 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.352 -3.756 7.692 1.00 0.00 C ATOM 1348 CE1 TYR A 106 7.907 -6.016 6.117 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.360 -4.775 7.553 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.088 -5.855 6.772 1.00 0.00 C ATOM 1351 OH TYR A 106 10.041 -6.815 6.639 1.00 0.00 O ATOM 0 H TYR A 106 4.179 -3.931 6.193 1.00 0.00 H new ATOM 0 HA TYR A 106 5.167 -3.761 8.948 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.718 -2.522 6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.523 -1.922 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.951 -5.103 5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.543 -2.887 8.305 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.730 -6.888 5.505 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.311 -4.684 8.057 1.00 0.00 H new ATOM 0 HH TYR A 106 10.832 -6.566 7.162 1.00 0.00 H new ATOM 1361 N SER A 107 4.237 -1.639 9.737 1.00 0.00 N ATOM 1362 CA SER A 107 3.558 -0.474 10.278 1.00 0.00 C ATOM 1363 C SER A 107 4.572 0.632 10.577 1.00 0.00 C ATOM 1364 O SER A 107 5.750 0.505 10.245 1.00 0.00 O ATOM 1365 CB SER A 107 2.774 -0.832 11.543 1.00 0.00 C ATOM 1366 OG SER A 107 3.627 -0.980 12.674 1.00 0.00 O ATOM 0 H SER A 107 4.814 -2.146 10.408 1.00 0.00 H new ATOM 0 HA SER A 107 2.849 -0.115 9.532 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.036 -0.055 11.744 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.225 -1.759 11.379 1.00 0.00 H new ATOM 0 HG SER A 107 3.090 -1.207 13.462 1.00 0.00 H new ATOM 1372 N ALA A 108 4.078 1.690 11.201 1.00 0.00 N ATOM 1373 CA ALA A 108 4.926 2.818 11.549 1.00 0.00 C ATOM 1374 C ALA A 108 5.857 2.417 12.696 1.00 0.00 C ATOM 1375 O ALA A 108 6.891 3.047 12.911 1.00 0.00 O ATOM 1376 CB ALA A 108 4.053 4.024 11.901 1.00 0.00 C ATOM 0 H ALA A 108 3.101 1.791 11.475 1.00 0.00 H new ATOM 0 HA ALA A 108 5.550 3.104 10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.689 4.870 12.162 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.433 4.287 11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.414 3.776 12.748 1.00 0.00 H new ATOM 1382 N LYS A 109 5.455 1.369 13.401 1.00 0.00 N ATOM 1383 CA LYS A 109 6.240 0.877 14.521 1.00 0.00 C ATOM 1384 C LYS A 109 7.559 0.305 14.000 1.00 0.00 C ATOM 1385 O LYS A 109 8.629 0.651 14.497 1.00 0.00 O ATOM 1386 CB LYS A 109 5.423 -0.116 15.351 1.00 0.00 C ATOM 1387 CG LYS A 109 6.167 -0.502 16.632 1.00 0.00 C ATOM 1388 CD LYS A 109 5.733 -1.884 17.122 1.00 0.00 C ATOM 1389 CE LYS A 109 4.943 -1.780 18.427 1.00 0.00 C ATOM 1390 NZ LYS A 109 5.092 -3.017 19.226 1.00 0.00 N ATOM 0 H LYS A 109 4.597 0.848 13.219 1.00 0.00 H new ATOM 0 HA LYS A 109 6.492 1.693 15.199 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.458 0.324 15.605 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.221 -1.009 14.760 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.241 -0.498 16.448 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.974 0.240 17.407 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.122 -2.368 16.360 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.611 -2.512 17.273 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.294 -0.924 19.003 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.889 -1.607 18.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.549 -2.928 20.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.736 -3.828 18.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.096 -3.166 19.451 1.00 0.00 H new ATOM 1404 N GLU A 110 7.440 -0.562 13.005 1.00 0.00 N ATOM 1405 CA GLU A 110 8.611 -1.185 12.412 1.00 0.00 C ATOM 1406 C GLU A 110 9.455 -0.141 11.678 1.00 0.00 C ATOM 1407 O GLU A 110 10.672 -0.282 11.575 1.00 0.00 O ATOM 1408 CB GLU A 110 8.209 -2.324 11.473 1.00 0.00 C ATOM 1409 CG GLU A 110 7.314 -1.812 10.341 1.00 0.00 C ATOM 1410 CD GLU A 110 8.101 -0.911 9.386 1.00 0.00 C ATOM 1411 OE1 GLU A 110 9.333 -1.099 9.313 1.00 0.00 O ATOM 1412 OE2 GLU A 110 7.450 -0.053 8.751 1.00 0.00 O ATOM 0 H GLU A 110 6.551 -0.848 12.595 1.00 0.00 H new ATOM 0 HA GLU A 110 9.215 -1.613 13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.102 -2.787 11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.684 -3.096 12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.898 -2.656 9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.473 -1.259 10.759 1.00 0.00 H new ATOM 1419 N ARG A 111 8.773 0.884 11.187 1.00 0.00 N ATOM 1420 CA ARG A 111 9.444 1.952 10.465 1.00 0.00 C ATOM 1421 C ARG A 111 10.645 2.459 11.266 1.00 0.00 C ATOM 1422 O ARG A 111 11.681 2.793 10.692 1.00 0.00 O ATOM 1423 CB ARG A 111 8.492 3.117 10.197 1.00 0.00 C ATOM 1424 CG ARG A 111 8.707 3.689 8.792 1.00 0.00 C ATOM 1425 CD ARG A 111 9.542 4.969 8.844 1.00 0.00 C ATOM 1426 NE ARG A 111 8.672 6.131 9.124 1.00 0.00 N ATOM 1427 CZ ARG A 111 9.121 7.326 9.533 1.00 0.00 C ATOM 1428 NH1 ARG A 111 10.434 7.523 9.710 1.00 0.00 N ATOM 1429 NH2 ARG A 111 8.257 8.325 9.765 1.00 0.00 N ATOM 0 H ARG A 111 7.763 0.997 11.275 1.00 0.00 H new ATOM 0 HA ARG A 111 9.782 1.547 9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.461 2.780 10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.650 3.899 10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.207 2.949 8.167 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.743 3.898 8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.307 4.883 9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.061 5.113 7.896 1.00 0.00 H new ATOM 0 HE ARG A 111 7.666 6.016 8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.092 6.764 9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.776 8.432 10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.257 8.176 9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.600 9.234 10.076 1.00 0.00 H new ATOM 1443 N LYS A 112 10.468 2.500 12.577 1.00 0.00 N ATOM 1444 CA LYS A 112 11.525 2.961 13.463 1.00 0.00 C ATOM 1445 C LYS A 112 12.681 1.960 13.433 1.00 0.00 C ATOM 1446 O LYS A 112 13.842 2.350 13.316 1.00 0.00 O ATOM 1447 CB LYS A 112 10.973 3.221 14.866 1.00 0.00 C ATOM 1448 CG LYS A 112 11.270 4.654 15.314 1.00 0.00 C ATOM 1449 CD LYS A 112 12.574 4.720 16.111 1.00 0.00 C ATOM 1450 CE LYS A 112 12.343 5.341 17.490 1.00 0.00 C ATOM 1451 NZ LYS A 112 13.119 4.618 18.521 1.00 0.00 N ATOM 0 H LYS A 112 9.608 2.221 13.049 1.00 0.00 H new ATOM 0 HA LYS A 112 11.921 3.917 13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.897 3.049 14.875 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.415 2.517 15.571 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.339 5.304 14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.447 5.026 15.925 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.986 3.717 16.224 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.310 5.307 15.562 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.636 6.391 17.476 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.282 5.309 17.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.950 5.053 19.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.821 3.622 18.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.132 4.670 18.293 1.00 0.00 H new ATOM 1465 N LYS A 113 12.325 0.688 13.539 1.00 0.00 N ATOM 1466 CA LYS A 113 13.318 -0.371 13.526 1.00 0.00 C ATOM 1467 C LYS A 113 14.352 -0.082 12.436 1.00 0.00 C ATOM 1468 O LYS A 113 15.553 -0.061 12.704 1.00 0.00 O ATOM 1469 CB LYS A 113 12.643 -1.737 13.385 1.00 0.00 C ATOM 1470 CG LYS A 113 11.816 -2.071 14.629 1.00 0.00 C ATOM 1471 CD LYS A 113 12.099 -3.495 15.111 1.00 0.00 C ATOM 1472 CE LYS A 113 13.079 -3.491 16.286 1.00 0.00 C ATOM 1473 NZ LYS A 113 14.357 -2.855 15.893 1.00 0.00 N ATOM 0 H LYS A 113 11.361 0.367 13.634 1.00 0.00 H new ATOM 0 HA LYS A 113 13.854 -0.402 14.475 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.000 -1.740 12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.399 -2.506 13.229 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.046 -1.362 15.424 1.00 0.00 H new ATOM 0 HG3 LYS A 113 10.755 -1.964 14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.167 -3.973 15.412 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.510 -4.085 14.292 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.643 -2.955 17.129 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.262 -4.513 16.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 15.118 -3.189 16.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 14.582 -3.107 14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 14.270 -1.822 15.975 1.00 0.00 H new ATOM 1487 N MET A 114 13.848 0.134 11.230 1.00 0.00 N ATOM 1488 CA MET A 114 14.714 0.423 10.099 1.00 0.00 C ATOM 1489 C MET A 114 15.332 1.817 10.222 1.00 0.00 C ATOM 1490 O MET A 114 16.439 2.053 9.741 1.00 0.00 O ATOM 1491 CB MET A 114 13.906 0.335 8.803 1.00 0.00 C ATOM 1492 CG MET A 114 12.756 1.344 8.804 1.00 0.00 C ATOM 1493 SD MET A 114 12.072 1.493 7.162 1.00 0.00 S ATOM 1494 CE MET A 114 10.883 0.163 7.199 1.00 0.00 C ATOM 0 H MET A 114 12.852 0.115 11.011 1.00 0.00 H new ATOM 0 HA MET A 114 15.520 -0.310 10.086 1.00 0.00 H new ATOM 0 HB2 MET A 114 14.558 0.523 7.950 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.510 -0.673 8.685 1.00 0.00 H new ATOM 0 HG2 MET A 114 11.982 1.025 9.502 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.114 2.315 9.147 1.00 0.00 H new ATOM 0 HE1 MET A 114 10.886 -0.354 6.240 1.00 0.00 H new ATOM 0 HE2 MET A 114 11.147 -0.539 7.990 1.00 0.00 H new ATOM 0 HE3 MET A 114 9.889 0.568 7.390 1.00 0.00 H new ATOM 1504 N MET A 115 14.588 2.703 10.868 1.00 0.00 N ATOM 1505 CA MET A 115 15.050 4.068 11.059 1.00 0.00 C ATOM 1506 C MET A 115 16.221 4.117 12.043 1.00 0.00 C ATOM 1507 O MET A 115 17.288 4.635 11.718 1.00 0.00 O ATOM 1508 CB MET A 115 13.901 4.926 11.592 1.00 0.00 C ATOM 1509 CG MET A 115 13.838 6.272 10.866 1.00 0.00 C ATOM 1510 SD MET A 115 14.248 7.592 11.994 1.00 0.00 S ATOM 1511 CE MET A 115 15.240 8.618 10.922 1.00 0.00 C ATOM 0 H MET A 115 13.670 2.503 11.265 1.00 0.00 H new ATOM 0 HA MET A 115 15.389 4.455 10.098 1.00 0.00 H new ATOM 0 HB2 MET A 115 12.957 4.396 11.465 1.00 0.00 H new ATOM 0 HB3 MET A 115 14.032 5.091 12.661 1.00 0.00 H new ATOM 0 HG2 MET A 115 14.530 6.273 10.024 1.00 0.00 H new ATOM 0 HG3 MET A 115 12.839 6.428 10.458 1.00 0.00 H new ATOM 0 HE1 MET A 115 15.581 9.495 11.472 1.00 0.00 H new ATOM 0 HE2 MET A 115 16.102 8.051 10.571 1.00 0.00 H new ATOM 0 HE3 MET A 115 14.643 8.935 10.067 1.00 0.00 H new ATOM 1521 N THR A 116 15.983 3.571 13.227 1.00 0.00 N ATOM 1522 CA THR A 116 17.005 3.547 14.259 1.00 0.00 C ATOM 1523 C THR A 116 17.577 2.135 14.410 1.00 0.00 C ATOM 1524 O THR A 116 16.867 1.214 14.813 1.00 0.00 O ATOM 1525 CB THR A 116 16.387 4.093 15.548 1.00 0.00 C ATOM 1526 OG1 THR A 116 15.155 3.387 15.669 1.00 0.00 O ATOM 1527 CG2 THR A 116 15.967 5.558 15.420 1.00 0.00 C ATOM 0 H THR A 116 15.097 3.142 13.494 1.00 0.00 H new ATOM 0 HA THR A 116 17.851 4.180 13.993 1.00 0.00 H new ATOM 0 HB THR A 116 17.101 3.990 16.365 1.00 0.00 H new ATOM 0 HG1 THR A 116 15.302 2.437 15.478 1.00 0.00 H new ATOM 0 HG21 THR A 116 15.535 5.896 16.362 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.839 6.167 15.182 1.00 0.00 H new ATOM 0 HG23 THR A 116 15.228 5.656 14.625 1.00 0.00 H new ATOM 1535 N LYS A 117 18.853 2.010 14.078 1.00 0.00 N ATOM 1536 CA LYS A 117 19.529 0.727 14.172 1.00 0.00 C ATOM 1537 C LYS A 117 19.167 0.061 15.501 1.00 0.00 C ATOM 1538 O LYS A 117 18.640 0.711 16.403 1.00 0.00 O ATOM 1539 CB LYS A 117 21.034 0.898 13.959 1.00 0.00 C ATOM 1540 CG LYS A 117 21.333 1.430 12.556 1.00 0.00 C ATOM 1541 CD LYS A 117 22.801 1.844 12.428 1.00 0.00 C ATOM 1542 CE LYS A 117 23.107 2.345 11.015 1.00 0.00 C ATOM 1543 NZ LYS A 117 23.619 3.733 11.057 1.00 0.00 N ATOM 0 H LYS A 117 19.437 2.776 13.743 1.00 0.00 H new ATOM 0 HA LYS A 117 19.192 0.060 13.379 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.435 1.584 14.705 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.536 -0.059 14.104 1.00 0.00 H new ATOM 0 HG2 LYS A 117 21.102 0.664 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.691 2.284 12.342 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.026 2.627 13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 117 23.444 0.996 12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 117 23.843 1.694 10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 117 22.205 2.302 10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 23.822 4.058 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 22.904 4.354 11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 24.491 3.764 11.623 1.00 0.00 H new ATOM 1557 N ASP A 118 19.465 -1.228 15.580 1.00 0.00 N ATOM 1558 CA ASP A 118 19.178 -1.989 16.785 1.00 0.00 C ATOM 1559 C ASP A 118 17.664 -2.157 16.927 1.00 0.00 C ATOM 1560 O ASP A 118 17.192 -2.774 17.881 1.00 0.00 O ATOM 1561 CB ASP A 118 19.693 -1.265 18.030 1.00 0.00 C ATOM 1562 CG ASP A 118 19.803 -2.134 19.285 1.00 0.00 C ATOM 1563 OD1 ASP A 118 18.735 -2.555 19.780 1.00 0.00 O ATOM 1564 OD2 ASP A 118 20.954 -2.359 19.719 1.00 0.00 O ATOM 1565 OXT ASP A 118 16.815 -1.603 15.963 1.00 0.00 O ATOM 0 H ASP A 118 19.902 -1.764 14.830 1.00 0.00 H new ATOM 0 HA ASP A 118 19.674 -2.956 16.700 1.00 0.00 H new ATOM 0 HB2 ASP A 118 20.675 -0.847 17.809 1.00 0.00 H new ATOM 0 HB3 ASP A 118 19.031 -0.426 18.244 1.00 0.00 H new TER 1570 ASP A 118