USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 587 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 24 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.835 K(o=2,f=-5.1) USER MOD Set 2.1: A 31 THR OG1 : rot -80:sc=-0.00145 USER MOD Set 2.2: A 37 GLN : amide:sc= -0.822 K(o=-0.82,f=-0.08) USER MOD Single : A 1 LYS N :NH3+ -147:sc= -0.954 (180deg=-2.76!) USER MOD Single : A 1 LYS NZ :NH3+ 172:sc=-0.00698 (180deg=-0.116) USER MOD Single : A 4 SER OG : rot 42:sc= 0.123 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 6:sc= 1.04 USER MOD Single : A 17 HIS : no HE2:sc= -0.347 K(o=-0.35,f=-1.8) USER MOD Single : A 22 ASN : amide:sc= -0.448 K(o=-0.45,f=-5.1!) USER MOD Single : A 25 HIS : no HE2:sc= -0.0293 X(o=-0.029,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0727) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0.736 (180deg=0.555) USER MOD Single : A 44 ASN : amide:sc= -0.454 K(o=-0.45,f=-7.8!) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.612 X(o=-0.61,f=-1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= 1.27 (180deg=0.999) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.967 -6.597 4.205 1.00 40.33 N ATOM 2 CA LYS A 1 -20.767 -6.180 4.943 1.00 32.51 C ATOM 3 C LYS A 1 -19.560 -6.838 4.307 1.00 23.54 C ATOM 4 O LYS A 1 -19.276 -8.002 4.575 1.00 20.15 O ATOM 5 CB LYS A 1 -20.796 -6.587 6.453 1.00 32.31 C ATOM 6 CG LYS A 1 -21.917 -6.020 7.338 1.00 41.34 C ATOM 7 CD LYS A 1 -23.297 -6.574 6.998 1.00 62.45 C ATOM 8 CE LYS A 1 -24.353 -6.082 7.977 1.00 20.41 C ATOM 9 NZ LYS A 1 -24.467 -4.608 7.991 1.00 42.43 N ATOM 0 H1 LYS A 1 -22.661 -5.823 4.205 1.00 40.33 H new ATOM 0 H2 LYS A 1 -21.708 -6.830 3.225 1.00 40.33 H new ATOM 0 H3 LYS A 1 -22.382 -7.434 4.662 1.00 40.33 H new ATOM 0 HA LYS A 1 -20.724 -5.092 4.895 1.00 32.51 H new ATOM 0 HB2 LYS A 1 -20.850 -7.674 6.503 1.00 32.31 H new ATOM 0 HB3 LYS A 1 -19.843 -6.295 6.895 1.00 32.31 H new ATOM 0 HG2 LYS A 1 -21.692 -6.240 8.382 1.00 41.34 H new ATOM 0 HG3 LYS A 1 -21.935 -4.935 7.238 1.00 41.34 H new ATOM 0 HD2 LYS A 1 -23.571 -6.276 5.986 1.00 62.45 H new ATOM 0 HD3 LYS A 1 -23.266 -7.663 7.012 1.00 62.45 H new ATOM 0 HE2 LYS A 1 -25.318 -6.516 7.714 1.00 20.41 H new ATOM 0 HE3 LYS A 1 -24.108 -6.434 8.979 1.00 20.41 H new ATOM 0 HZ1 LYS A 1 -25.286 -4.329 8.568 1.00 42.43 H new ATOM 0 HZ2 LYS A 1 -23.602 -4.197 8.396 1.00 42.43 H new ATOM 0 HZ3 LYS A 1 -24.593 -4.260 7.019 1.00 42.43 H new ATOM 23 N PRO A 2 -18.850 -6.136 3.427 1.00 1.22 N ATOM 24 CA PRO A 2 -17.702 -6.688 2.753 1.00 12.12 C ATOM 25 C PRO A 2 -16.462 -6.670 3.636 1.00 35.22 C ATOM 26 O PRO A 2 -15.821 -5.625 3.815 1.00 20.04 O ATOM 27 CB PRO A 2 -17.504 -5.772 1.532 1.00 41.14 C ATOM 28 CG PRO A 2 -18.577 -4.732 1.617 1.00 44.41 C ATOM 29 CD PRO A 2 -19.099 -4.761 3.017 1.00 14.43 C ATOM 0 HA PRO A 2 -17.857 -7.733 2.484 1.00 12.12 H new ATOM 0 HB2 PRO A 2 -16.515 -5.314 1.544 1.00 41.14 H new ATOM 0 HB3 PRO A 2 -17.582 -6.338 0.603 1.00 41.14 H new ATOM 0 HG2 PRO A 2 -18.180 -3.747 1.373 1.00 44.41 H new ATOM 0 HG3 PRO A 2 -19.374 -4.940 0.903 1.00 44.41 H new ATOM 0 HD2 PRO A 2 -18.579 -4.048 3.657 1.00 14.43 H new ATOM 0 HD3 PRO A 2 -20.160 -4.513 3.058 1.00 14.43 H new ATOM 37 N VAL A 3 -16.158 -7.797 4.225 1.00 1.31 N ATOM 38 CA VAL A 3 -14.988 -7.913 5.059 1.00 5.33 C ATOM 39 C VAL A 3 -13.878 -8.531 4.222 1.00 51.02 C ATOM 40 O VAL A 3 -13.880 -9.740 3.958 1.00 34.24 O ATOM 41 CB VAL A 3 -15.262 -8.783 6.322 1.00 5.15 C ATOM 42 CG1 VAL A 3 -14.052 -8.801 7.245 1.00 53.33 C ATOM 43 CG2 VAL A 3 -16.495 -8.285 7.069 1.00 13.20 C ATOM 0 H VAL A 3 -16.707 -8.653 4.142 1.00 1.31 H new ATOM 0 HA VAL A 3 -14.699 -6.924 5.415 1.00 5.33 H new ATOM 0 HB VAL A 3 -15.452 -9.803 5.988 1.00 5.15 H new ATOM 0 HG11 VAL A 3 -14.270 -9.415 8.119 1.00 53.33 H new ATOM 0 HG12 VAL A 3 -13.195 -9.216 6.714 1.00 53.33 H new ATOM 0 HG13 VAL A 3 -13.823 -7.784 7.564 1.00 53.33 H new ATOM 0 HG21 VAL A 3 -16.665 -8.909 7.947 1.00 13.20 H new ATOM 0 HG22 VAL A 3 -16.338 -7.253 7.382 1.00 13.20 H new ATOM 0 HG23 VAL A 3 -17.364 -8.337 6.413 1.00 13.20 H new ATOM 53 N SER A 4 -12.972 -7.709 3.767 1.00 22.42 N ATOM 54 CA SER A 4 -11.947 -8.159 2.871 1.00 21.24 C ATOM 55 C SER A 4 -10.615 -8.426 3.575 1.00 74.22 C ATOM 56 O SER A 4 -9.884 -7.503 3.944 1.00 75.44 O ATOM 57 CB SER A 4 -11.792 -7.165 1.706 1.00 10.34 C ATOM 58 OG SER A 4 -11.568 -5.829 2.178 1.00 13.41 O ATOM 0 H SER A 4 -12.925 -6.718 4.005 1.00 22.42 H new ATOM 0 HA SER A 4 -12.261 -9.122 2.469 1.00 21.24 H new ATOM 0 HB2 SER A 4 -10.959 -7.472 1.073 1.00 10.34 H new ATOM 0 HB3 SER A 4 -12.688 -7.187 1.086 1.00 10.34 H new ATOM 0 HG SER A 4 -10.941 -5.849 2.931 1.00 13.41 H new ATOM 64 N LEU A 5 -10.324 -9.687 3.786 1.00 3.05 N ATOM 65 CA LEU A 5 -9.046 -10.093 4.349 1.00 21.44 C ATOM 66 C LEU A 5 -8.089 -10.317 3.203 1.00 70.42 C ATOM 67 O LEU A 5 -6.866 -10.261 3.356 1.00 42.42 O ATOM 68 CB LEU A 5 -9.157 -11.390 5.202 1.00 0.34 C ATOM 69 CG LEU A 5 -10.014 -11.344 6.491 1.00 20.22 C ATOM 70 CD1 LEU A 5 -11.490 -11.150 6.191 1.00 13.14 C ATOM 71 CD2 LEU A 5 -9.804 -12.600 7.317 1.00 22.51 C ATOM 0 H LEU A 5 -10.956 -10.460 3.577 1.00 3.05 H new ATOM 0 HA LEU A 5 -8.693 -9.308 5.017 1.00 21.44 H new ATOM 0 HB2 LEU A 5 -9.558 -12.176 4.563 1.00 0.34 H new ATOM 0 HB3 LEU A 5 -8.148 -11.692 5.483 1.00 0.34 H new ATOM 0 HG LEU A 5 -9.682 -10.480 7.066 1.00 20.22 H new ATOM 0 HD11 LEU A 5 -12.051 -11.124 7.125 1.00 13.14 H new ATOM 0 HD12 LEU A 5 -11.632 -10.211 5.656 1.00 13.14 H new ATOM 0 HD13 LEU A 5 -11.848 -11.976 5.576 1.00 13.14 H new ATOM 0 HD21 LEU A 5 -10.415 -12.549 8.219 1.00 22.51 H new ATOM 0 HD22 LEU A 5 -10.093 -13.473 6.732 1.00 22.51 H new ATOM 0 HD23 LEU A 5 -8.753 -12.681 7.595 1.00 22.51 H new ATOM 83 N SER A 6 -8.669 -10.551 2.048 1.00 4.53 N ATOM 84 CA SER A 6 -7.938 -10.790 0.851 1.00 51.21 C ATOM 85 C SER A 6 -7.347 -9.494 0.288 1.00 63.21 C ATOM 86 O SER A 6 -8.040 -8.707 -0.370 1.00 23.43 O ATOM 87 CB SER A 6 -8.854 -11.450 -0.178 1.00 21.45 C ATOM 88 OG SER A 6 -9.475 -12.606 0.373 1.00 63.11 O ATOM 0 H SER A 6 -9.681 -10.578 1.925 1.00 4.53 H new ATOM 0 HA SER A 6 -7.106 -11.456 1.080 1.00 51.21 H new ATOM 0 HB2 SER A 6 -9.616 -10.741 -0.503 1.00 21.45 H new ATOM 0 HB3 SER A 6 -8.278 -11.726 -1.061 1.00 21.45 H new ATOM 0 HG SER A 6 -10.059 -13.015 -0.299 1.00 63.11 H new ATOM 94 N TYR A 7 -6.107 -9.251 0.617 1.00 13.45 N ATOM 95 CA TYR A 7 -5.343 -8.179 0.062 1.00 51.51 C ATOM 96 C TYR A 7 -3.885 -8.527 0.120 1.00 33.25 C ATOM 97 O TYR A 7 -3.272 -8.573 1.199 1.00 5.12 O ATOM 98 CB TYR A 7 -5.659 -6.774 0.628 1.00 1.13 C ATOM 99 CG TYR A 7 -5.416 -6.556 2.076 1.00 32.02 C ATOM 100 CD1 TYR A 7 -6.305 -7.012 2.995 1.00 62.12 C ATOM 101 CD2 TYR A 7 -4.309 -5.856 2.509 1.00 45.12 C ATOM 102 CE1 TYR A 7 -6.118 -6.787 4.345 1.00 12.14 C ATOM 103 CE2 TYR A 7 -4.091 -5.622 3.851 1.00 43.41 C ATOM 104 CZ TYR A 7 -5.002 -6.090 4.771 1.00 63.52 C ATOM 105 OH TYR A 7 -4.804 -5.856 6.126 1.00 34.24 O ATOM 0 H TYR A 7 -5.592 -9.811 1.296 1.00 13.45 H new ATOM 0 HA TYR A 7 -5.649 -8.081 -0.980 1.00 51.51 H new ATOM 0 HB2 TYR A 7 -5.068 -6.045 0.073 1.00 1.13 H new ATOM 0 HB3 TYR A 7 -6.707 -6.556 0.425 1.00 1.13 H new ATOM 0 HD1 TYR A 7 -7.174 -7.561 2.665 1.00 62.12 H new ATOM 0 HD2 TYR A 7 -3.600 -5.484 1.784 1.00 45.12 H new ATOM 0 HE1 TYR A 7 -6.838 -7.153 5.062 1.00 12.14 H new ATOM 0 HE2 TYR A 7 -3.216 -5.078 4.176 1.00 43.41 H new ATOM 0 HH TYR A 7 -3.972 -5.354 6.253 1.00 34.24 H new ATOM 115 N ARG A 8 -3.351 -8.851 -1.020 1.00 52.51 N ATOM 116 CA ARG A 8 -1.979 -9.264 -1.139 1.00 61.41 C ATOM 117 C ARG A 8 -1.088 -8.057 -1.085 1.00 43.11 C ATOM 118 O ARG A 8 -0.031 -8.076 -0.463 1.00 63.42 O ATOM 119 CB ARG A 8 -1.795 -10.043 -2.430 1.00 12.33 C ATOM 120 CG ARG A 8 -2.717 -11.241 -2.502 1.00 65.55 C ATOM 121 CD ARG A 8 -2.593 -11.994 -3.799 1.00 62.03 C ATOM 122 NE ARG A 8 -3.539 -13.111 -3.846 1.00 35.23 N ATOM 123 CZ ARG A 8 -3.441 -14.165 -4.652 1.00 51.13 C ATOM 124 NH1 ARG A 8 -2.437 -14.256 -5.510 1.00 60.31 N ATOM 125 NH2 ARG A 8 -4.361 -15.117 -4.611 1.00 31.12 N ATOM 0 H ARG A 8 -3.859 -8.837 -1.905 1.00 52.51 H new ATOM 0 HA ARG A 8 -1.708 -9.919 -0.311 1.00 61.41 H new ATOM 0 HB2 ARG A 8 -1.985 -9.387 -3.280 1.00 12.33 H new ATOM 0 HB3 ARG A 8 -0.760 -10.376 -2.509 1.00 12.33 H new ATOM 0 HG2 ARG A 8 -2.496 -11.914 -1.674 1.00 65.55 H new ATOM 0 HG3 ARG A 8 -3.748 -10.909 -2.377 1.00 65.55 H new ATOM 0 HD2 ARG A 8 -2.778 -11.320 -4.635 1.00 62.03 H new ATOM 0 HD3 ARG A 8 -1.576 -12.369 -3.911 1.00 62.03 H new ATOM 0 HE ARG A 8 -4.336 -13.078 -3.210 1.00 35.23 H new ATOM 0 HH11 ARG A 8 -1.736 -13.517 -5.555 1.00 60.31 H new ATOM 0 HH12 ARG A 8 -2.365 -15.065 -6.127 1.00 60.31 H new ATOM 0 HH21 ARG A 8 -5.144 -15.042 -3.962 1.00 31.12 H new ATOM 0 HH22 ARG A 8 -4.286 -15.925 -5.229 1.00 31.12 H new ATOM 139 N CYS A 9 -1.530 -7.006 -1.711 1.00 42.21 N ATOM 140 CA CYS A 9 -0.828 -5.768 -1.668 1.00 52.44 C ATOM 141 C CYS A 9 -1.553 -4.883 -0.659 1.00 52.30 C ATOM 142 O CYS A 9 -2.786 -4.976 -0.536 1.00 22.25 O ATOM 143 CB CYS A 9 -0.825 -5.107 -3.048 1.00 21.12 C ATOM 144 SG CYS A 9 -0.298 -6.208 -4.417 1.00 34.12 S ATOM 0 H CYS A 9 -2.387 -6.988 -2.264 1.00 42.21 H new ATOM 0 HA CYS A 9 0.211 -5.921 -1.377 1.00 52.44 H new ATOM 0 HB2 CYS A 9 -1.828 -4.737 -3.262 1.00 21.12 H new ATOM 0 HB3 CYS A 9 -0.164 -4.240 -3.021 1.00 21.12 H new ATOM 149 N PRO A 10 -0.822 -4.030 0.085 1.00 41.33 N ATOM 150 CA PRO A 10 -1.415 -3.169 1.122 1.00 51.01 C ATOM 151 C PRO A 10 -2.552 -2.296 0.605 1.00 63.55 C ATOM 152 O PRO A 10 -3.538 -2.079 1.299 1.00 41.13 O ATOM 153 CB PRO A 10 -0.248 -2.287 1.561 1.00 22.43 C ATOM 154 CG PRO A 10 0.961 -3.079 1.233 1.00 72.35 C ATOM 155 CD PRO A 10 0.632 -3.853 -0.003 1.00 30.34 C ATOM 0 HA PRO A 10 -1.859 -3.765 1.919 1.00 51.01 H new ATOM 0 HB2 PRO A 10 -0.252 -1.333 1.034 1.00 22.43 H new ATOM 0 HB3 PRO A 10 -0.299 -2.063 2.627 1.00 22.43 H new ATOM 0 HG2 PRO A 10 1.819 -2.428 1.067 1.00 72.35 H new ATOM 0 HG3 PRO A 10 1.222 -3.748 2.053 1.00 72.35 H new ATOM 0 HD2 PRO A 10 0.917 -3.311 -0.905 1.00 30.34 H new ATOM 0 HD3 PRO A 10 1.153 -4.810 -0.028 1.00 30.34 H new ATOM 163 N CYS A 11 -2.418 -1.805 -0.613 1.00 72.44 N ATOM 164 CA CYS A 11 -3.410 -0.924 -1.160 1.00 54.24 C ATOM 165 C CYS A 11 -3.286 -0.904 -2.681 1.00 33.40 C ATOM 166 O CYS A 11 -2.173 -0.950 -3.219 1.00 70.51 O ATOM 167 CB CYS A 11 -3.186 0.481 -0.584 1.00 65.23 C ATOM 168 SG CYS A 11 -4.490 1.684 -0.935 1.00 31.40 S ATOM 0 H CYS A 11 -1.633 -2.005 -1.233 1.00 72.44 H new ATOM 0 HA CYS A 11 -4.411 -1.267 -0.898 1.00 54.24 H new ATOM 0 HB2 CYS A 11 -3.074 0.398 0.497 1.00 65.23 H new ATOM 0 HB3 CYS A 11 -2.244 0.868 -0.973 1.00 65.23 H new ATOM 173 N ARG A 12 -4.409 -0.894 -3.366 1.00 63.15 N ATOM 174 CA ARG A 12 -4.423 -0.801 -4.817 1.00 54.12 C ATOM 175 C ARG A 12 -4.919 0.557 -5.265 1.00 52.21 C ATOM 176 O ARG A 12 -4.410 1.125 -6.225 1.00 62.14 O ATOM 177 CB ARG A 12 -5.306 -1.873 -5.452 1.00 45.24 C ATOM 178 CG ARG A 12 -4.840 -3.300 -5.263 1.00 22.31 C ATOM 179 CD ARG A 12 -5.788 -4.249 -5.968 1.00 2.24 C ATOM 180 NE ARG A 12 -5.390 -5.649 -5.847 1.00 30.23 N ATOM 181 CZ ARG A 12 -6.007 -6.663 -6.472 1.00 42.42 C ATOM 182 NH1 ARG A 12 -7.033 -6.422 -7.300 1.00 33.51 N ATOM 183 NH2 ARG A 12 -5.587 -7.912 -6.287 1.00 34.51 N ATOM 0 H ARG A 12 -5.334 -0.950 -2.940 1.00 63.15 H new ATOM 0 HA ARG A 12 -3.395 -0.952 -5.145 1.00 54.12 H new ATOM 0 HB2 ARG A 12 -6.311 -1.781 -5.041 1.00 45.24 H new ATOM 0 HB3 ARG A 12 -5.379 -1.672 -6.521 1.00 45.24 H new ATOM 0 HG2 ARG A 12 -3.832 -3.418 -5.659 1.00 22.31 H new ATOM 0 HG3 ARG A 12 -4.795 -3.540 -4.201 1.00 22.31 H new ATOM 0 HD2 ARG A 12 -6.790 -4.125 -5.557 1.00 2.24 H new ATOM 0 HD3 ARG A 12 -5.842 -3.982 -7.024 1.00 2.24 H new ATOM 0 HE ARG A 12 -4.593 -5.870 -5.250 1.00 30.23 H new ATOM 0 HH11 ARG A 12 -7.348 -5.465 -7.457 1.00 33.51 H new ATOM 0 HH12 ARG A 12 -7.499 -7.196 -7.773 1.00 33.51 H new ATOM 0 HH21 ARG A 12 -4.796 -8.098 -5.670 1.00 34.51 H new ATOM 0 HH22 ARG A 12 -6.056 -8.683 -6.762 1.00 34.51 H new ATOM 197 N PHE A 13 -5.919 1.069 -4.578 1.00 31.50 N ATOM 198 CA PHE A 13 -6.506 2.338 -4.957 1.00 23.21 C ATOM 199 C PHE A 13 -5.743 3.466 -4.307 1.00 32.34 C ATOM 200 O PHE A 13 -5.818 3.675 -3.088 1.00 63.11 O ATOM 201 CB PHE A 13 -7.964 2.411 -4.551 1.00 11.33 C ATOM 202 CG PHE A 13 -8.799 1.252 -5.046 1.00 73.42 C ATOM 203 CD1 PHE A 13 -9.255 1.213 -6.353 1.00 61.44 C ATOM 204 CD2 PHE A 13 -9.115 0.201 -4.200 1.00 60.43 C ATOM 205 CE1 PHE A 13 -10.012 0.149 -6.807 1.00 61.44 C ATOM 206 CE2 PHE A 13 -9.871 -0.865 -4.649 1.00 22.42 C ATOM 207 CZ PHE A 13 -10.320 -0.891 -5.954 1.00 41.41 C ATOM 0 H PHE A 13 -6.340 0.630 -3.759 1.00 31.50 H new ATOM 0 HA PHE A 13 -6.448 2.429 -6.042 1.00 23.21 H new ATOM 0 HB2 PHE A 13 -8.026 2.452 -3.464 1.00 11.33 H new ATOM 0 HB3 PHE A 13 -8.390 3.340 -4.930 1.00 11.33 H new ATOM 0 HD1 PHE A 13 -9.016 2.024 -7.026 1.00 61.44 H new ATOM 0 HD2 PHE A 13 -8.766 0.215 -3.178 1.00 60.43 H new ATOM 0 HE1 PHE A 13 -10.362 0.132 -7.829 1.00 61.44 H new ATOM 0 HE2 PHE A 13 -10.110 -1.678 -3.979 1.00 22.42 H new ATOM 0 HZ PHE A 13 -10.911 -1.723 -6.307 1.00 41.41 H new ATOM 217 N PHE A 14 -5.026 4.165 -5.099 1.00 62.01 N ATOM 218 CA PHE A 14 -4.196 5.241 -4.633 1.00 71.24 C ATOM 219 C PHE A 14 -4.900 6.555 -4.827 1.00 50.02 C ATOM 220 O PHE A 14 -5.671 6.721 -5.775 1.00 11.43 O ATOM 221 CB PHE A 14 -2.852 5.269 -5.369 1.00 43.24 C ATOM 222 CG PHE A 14 -2.082 3.981 -5.319 1.00 63.31 C ATOM 223 CD1 PHE A 14 -1.609 3.475 -4.118 1.00 20.44 C ATOM 224 CD2 PHE A 14 -1.836 3.272 -6.478 1.00 51.51 C ATOM 225 CE1 PHE A 14 -0.906 2.290 -4.082 1.00 72.32 C ATOM 226 CE2 PHE A 14 -1.136 2.090 -6.448 1.00 4.12 C ATOM 227 CZ PHE A 14 -0.667 1.595 -5.250 1.00 5.14 C ATOM 0 H PHE A 14 -4.988 4.016 -6.107 1.00 62.01 H new ATOM 0 HA PHE A 14 -4.004 5.078 -3.572 1.00 71.24 H new ATOM 0 HB2 PHE A 14 -3.030 5.530 -6.412 1.00 43.24 H new ATOM 0 HB3 PHE A 14 -2.236 6.061 -4.943 1.00 43.24 H new ATOM 0 HD1 PHE A 14 -1.793 4.015 -3.201 1.00 20.44 H new ATOM 0 HD2 PHE A 14 -2.199 3.652 -7.422 1.00 51.51 H new ATOM 0 HE1 PHE A 14 -0.542 1.906 -3.140 1.00 72.32 H new ATOM 0 HE2 PHE A 14 -0.953 1.548 -7.364 1.00 4.12 H new ATOM 0 HZ PHE A 14 -0.115 0.667 -5.226 1.00 5.14 H new ATOM 237 N GLU A 15 -4.652 7.480 -3.927 1.00 1.23 N ATOM 238 CA GLU A 15 -5.196 8.798 -4.009 1.00 22.21 C ATOM 239 C GLU A 15 -4.496 9.446 -5.209 1.00 45.43 C ATOM 240 O GLU A 15 -5.126 9.980 -6.114 1.00 40.23 O ATOM 241 CB GLU A 15 -4.823 9.516 -2.718 1.00 12.43 C ATOM 242 CG GLU A 15 -5.657 10.726 -2.349 1.00 11.44 C ATOM 243 CD GLU A 15 -5.699 11.798 -3.390 1.00 15.13 C ATOM 244 OE1 GLU A 15 -4.675 12.424 -3.631 1.00 44.32 O ATOM 245 OE2 GLU A 15 -6.780 12.034 -3.962 1.00 20.04 O ATOM 0 H GLU A 15 -4.059 7.327 -3.112 1.00 1.23 H new ATOM 0 HA GLU A 15 -6.279 8.827 -4.131 1.00 22.21 H new ATOM 0 HB2 GLU A 15 -4.883 8.799 -1.900 1.00 12.43 H new ATOM 0 HB3 GLU A 15 -3.782 9.830 -2.791 1.00 12.43 H new ATOM 0 HG2 GLU A 15 -6.676 10.399 -2.143 1.00 11.44 H new ATOM 0 HG3 GLU A 15 -5.266 11.151 -1.425 1.00 11.44 H new ATOM 252 N SER A 16 -3.166 9.337 -5.192 1.00 4.22 N ATOM 253 CA SER A 16 -2.252 9.766 -6.271 1.00 23.13 C ATOM 254 C SER A 16 -2.271 11.271 -6.608 1.00 72.55 C ATOM 255 O SER A 16 -1.554 11.703 -7.490 1.00 34.33 O ATOM 256 CB SER A 16 -2.394 8.881 -7.547 1.00 20.20 C ATOM 257 OG SER A 16 -3.720 8.897 -8.082 1.00 24.14 O ATOM 0 H SER A 16 -2.669 8.932 -4.398 1.00 4.22 H new ATOM 0 HA SER A 16 -1.260 9.604 -5.850 1.00 23.13 H new ATOM 0 HB2 SER A 16 -1.695 9.231 -8.307 1.00 20.20 H new ATOM 0 HB3 SER A 16 -2.116 7.855 -7.306 1.00 20.20 H new ATOM 0 HG SER A 16 -4.263 9.548 -7.591 1.00 24.14 H new ATOM 263 N HIS A 17 -3.044 12.061 -5.902 1.00 60.55 N ATOM 264 CA HIS A 17 -3.095 13.486 -6.171 1.00 12.12 C ATOM 265 C HIS A 17 -2.547 14.200 -4.947 1.00 21.00 C ATOM 266 O HIS A 17 -2.806 15.368 -4.701 1.00 61.43 O ATOM 267 CB HIS A 17 -4.540 13.913 -6.452 1.00 63.44 C ATOM 268 CG HIS A 17 -4.590 15.201 -7.183 1.00 55.24 C ATOM 269 ND1 HIS A 17 -4.451 16.411 -6.579 1.00 54.52 N ATOM 270 CD2 HIS A 17 -4.668 15.450 -8.501 1.00 72.20 C ATOM 271 CE1 HIS A 17 -4.430 17.344 -7.477 1.00 64.51 C ATOM 272 NE2 HIS A 17 -4.562 16.794 -8.657 1.00 11.33 N ATOM 0 H HIS A 17 -3.645 11.748 -5.140 1.00 60.55 H new ATOM 0 HA HIS A 17 -2.501 13.740 -7.049 1.00 12.12 H new ATOM 0 HB2 HIS A 17 -5.042 13.142 -7.036 1.00 63.44 H new ATOM 0 HB3 HIS A 17 -5.083 14.005 -5.512 1.00 63.44 H new ATOM 0 HD1 HIS A 17 -4.375 16.561 -5.573 1.00 54.52 H new ATOM 0 HD2 HIS A 17 -4.792 14.720 -9.287 1.00 72.20 H new ATOM 0 HE1 HIS A 17 -4.321 18.401 -7.284 1.00 64.51 H new ATOM 281 N VAL A 18 -1.704 13.500 -4.237 1.00 61.22 N ATOM 282 CA VAL A 18 -1.151 14.000 -3.019 1.00 10.24 C ATOM 283 C VAL A 18 0.144 14.691 -3.343 1.00 62.05 C ATOM 284 O VAL A 18 1.006 14.132 -4.022 1.00 71.44 O ATOM 285 CB VAL A 18 -0.866 12.852 -2.004 1.00 43.43 C ATOM 286 CG1 VAL A 18 -0.352 13.404 -0.679 1.00 25.04 C ATOM 287 CG2 VAL A 18 -2.102 11.988 -1.784 1.00 15.21 C ATOM 0 H VAL A 18 -1.384 12.566 -4.492 1.00 61.22 H new ATOM 0 HA VAL A 18 -1.868 14.684 -2.564 1.00 10.24 H new ATOM 0 HB VAL A 18 -0.087 12.222 -2.433 1.00 43.43 H new ATOM 0 HG11 VAL A 18 -0.162 12.580 0.009 1.00 25.04 H new ATOM 0 HG12 VAL A 18 0.573 13.956 -0.849 1.00 25.04 H new ATOM 0 HG13 VAL A 18 -1.099 14.071 -0.249 1.00 25.04 H new ATOM 0 HG21 VAL A 18 -1.871 11.197 -1.071 1.00 15.21 H new ATOM 0 HG22 VAL A 18 -2.911 12.604 -1.392 1.00 15.21 H new ATOM 0 HG23 VAL A 18 -2.409 11.545 -2.731 1.00 15.21 H new ATOM 297 N ALA A 19 0.246 15.908 -2.914 1.00 1.33 N ATOM 298 CA ALA A 19 1.410 16.710 -3.139 1.00 73.11 C ATOM 299 C ALA A 19 2.199 16.811 -1.850 1.00 74.23 C ATOM 300 O ALA A 19 1.630 16.646 -0.767 1.00 42.02 O ATOM 301 CB ALA A 19 0.987 18.089 -3.620 1.00 54.23 C ATOM 0 H ALA A 19 -0.488 16.382 -2.388 1.00 1.33 H new ATOM 0 HA ALA A 19 2.040 16.254 -3.903 1.00 73.11 H new ATOM 0 HB1 ALA A 19 1.872 18.702 -3.792 1.00 54.23 H new ATOM 0 HB2 ALA A 19 0.425 17.994 -4.549 1.00 54.23 H new ATOM 0 HB3 ALA A 19 0.360 18.562 -2.864 1.00 54.23 H new ATOM 307 N ARG A 20 3.492 17.092 -1.965 1.00 2.41 N ATOM 308 CA ARG A 20 4.396 17.209 -0.817 1.00 21.12 C ATOM 309 C ARG A 20 3.895 18.229 0.230 1.00 71.42 C ATOM 310 O ARG A 20 4.131 18.073 1.430 1.00 11.05 O ATOM 311 CB ARG A 20 5.814 17.576 -1.307 1.00 13.31 C ATOM 312 CG ARG A 20 6.843 17.786 -0.204 1.00 74.41 C ATOM 313 CD ARG A 20 7.042 16.557 0.654 1.00 31.32 C ATOM 314 NE ARG A 20 7.912 16.855 1.798 1.00 20.23 N ATOM 315 CZ ARG A 20 8.399 15.972 2.674 1.00 5.21 C ATOM 316 NH1 ARG A 20 8.192 14.670 2.516 1.00 24.01 N ATOM 317 NH2 ARG A 20 9.113 16.402 3.709 1.00 75.12 N ATOM 0 H ARG A 20 3.950 17.247 -2.863 1.00 2.41 H new ATOM 0 HA ARG A 20 4.423 16.241 -0.317 1.00 21.12 H new ATOM 0 HB2 ARG A 20 6.169 16.786 -1.969 1.00 13.31 H new ATOM 0 HB3 ARG A 20 5.752 18.487 -1.903 1.00 13.31 H new ATOM 0 HG2 ARG A 20 7.796 18.069 -0.651 1.00 74.41 H new ATOM 0 HG3 ARG A 20 6.528 18.617 0.427 1.00 74.41 H new ATOM 0 HD2 ARG A 20 6.077 16.196 1.010 1.00 31.32 H new ATOM 0 HD3 ARG A 20 7.481 15.758 0.056 1.00 31.32 H new ATOM 0 HE ARG A 20 8.170 17.832 1.938 1.00 20.23 H new ATOM 0 HH11 ARG A 20 7.655 14.332 1.717 1.00 24.01 H new ATOM 0 HH12 ARG A 20 8.570 14.008 3.193 1.00 24.01 H new ATOM 0 HH21 ARG A 20 9.286 17.400 3.830 1.00 75.12 H new ATOM 0 HH22 ARG A 20 9.488 15.734 4.382 1.00 75.12 H new ATOM 331 N ALA A 21 3.186 19.233 -0.224 1.00 74.30 N ATOM 332 CA ALA A 21 2.673 20.269 0.659 1.00 40.42 C ATOM 333 C ALA A 21 1.414 19.838 1.405 1.00 31.31 C ATOM 334 O ALA A 21 1.087 20.402 2.446 1.00 33.40 O ATOM 335 CB ALA A 21 2.377 21.502 -0.133 1.00 75.25 C ATOM 0 H ALA A 21 2.946 19.361 -1.207 1.00 74.30 H new ATOM 0 HA ALA A 21 3.444 20.464 1.404 1.00 40.42 H new ATOM 0 HB1 ALA A 21 1.993 22.277 0.530 1.00 75.25 H new ATOM 0 HB2 ALA A 21 3.290 21.855 -0.612 1.00 75.25 H new ATOM 0 HB3 ALA A 21 1.632 21.275 -0.895 1.00 75.25 H new ATOM 341 N ASN A 22 0.717 18.840 0.886 1.00 41.45 N ATOM 342 CA ASN A 22 -0.561 18.413 1.478 1.00 40.25 C ATOM 343 C ASN A 22 -0.376 17.113 2.260 1.00 15.43 C ATOM 344 O ASN A 22 -1.322 16.532 2.792 1.00 65.30 O ATOM 345 CB ASN A 22 -1.638 18.254 0.373 1.00 4.41 C ATOM 346 CG ASN A 22 -3.036 17.912 0.907 1.00 30.40 C ATOM 347 OD1 ASN A 22 -3.412 18.283 2.035 1.00 10.40 O ATOM 348 ND2 ASN A 22 -3.817 17.226 0.105 1.00 71.14 N ATOM 0 H ASN A 22 1.003 18.308 0.064 1.00 41.45 H new ATOM 0 HA ASN A 22 -0.902 19.179 2.175 1.00 40.25 H new ATOM 0 HB2 ASN A 22 -1.696 19.180 -0.199 1.00 4.41 H new ATOM 0 HB3 ASN A 22 -1.323 17.472 -0.317 1.00 4.41 H new ATOM 0 HD21 ASN A 22 -4.762 16.982 0.400 1.00 71.14 H new ATOM 0 HD22 ASN A 22 -3.478 16.937 -0.813 1.00 71.14 H new ATOM 355 N VAL A 23 0.842 16.676 2.358 1.00 73.14 N ATOM 356 CA VAL A 23 1.113 15.440 3.075 1.00 50.42 C ATOM 357 C VAL A 23 1.755 15.685 4.443 1.00 53.24 C ATOM 358 O VAL A 23 2.840 16.262 4.556 1.00 12.32 O ATOM 359 CB VAL A 23 1.910 14.419 2.236 1.00 34.22 C ATOM 360 CG1 VAL A 23 3.222 14.994 1.758 1.00 54.41 C ATOM 361 CG2 VAL A 23 2.136 13.151 3.025 1.00 44.04 C ATOM 0 H VAL A 23 1.661 17.138 1.962 1.00 73.14 H new ATOM 0 HA VAL A 23 0.139 14.987 3.261 1.00 50.42 H new ATOM 0 HB VAL A 23 1.318 14.180 1.352 1.00 34.22 H new ATOM 0 HG11 VAL A 23 3.755 14.246 1.171 1.00 54.41 H new ATOM 0 HG12 VAL A 23 3.031 15.872 1.140 1.00 54.41 H new ATOM 0 HG13 VAL A 23 3.828 15.280 2.617 1.00 54.41 H new ATOM 0 HG21 VAL A 23 2.699 12.441 2.419 1.00 44.04 H new ATOM 0 HG22 VAL A 23 2.697 13.381 3.931 1.00 44.04 H new ATOM 0 HG23 VAL A 23 1.175 12.714 3.295 1.00 44.04 H new ATOM 371 N LYS A 24 1.052 15.268 5.474 1.00 63.02 N ATOM 372 CA LYS A 24 1.467 15.444 6.817 1.00 52.02 C ATOM 373 C LYS A 24 2.114 14.179 7.390 1.00 31.55 C ATOM 374 O LYS A 24 2.751 14.218 8.434 1.00 64.04 O ATOM 375 CB LYS A 24 0.235 15.739 7.555 1.00 73.11 C ATOM 376 CG LYS A 24 0.427 16.417 8.851 1.00 21.30 C ATOM 377 CD LYS A 24 -0.894 16.837 9.358 1.00 30.52 C ATOM 378 CE LYS A 24 -1.765 15.648 9.624 1.00 12.44 C ATOM 379 NZ LYS A 24 -2.986 16.005 10.374 1.00 32.45 N ATOM 0 H LYS A 24 0.157 14.788 5.381 1.00 63.02 H new ATOM 0 HA LYS A 24 2.216 16.233 6.891 1.00 52.02 H new ATOM 0 HB2 LYS A 24 -0.405 16.361 6.929 1.00 73.11 H new ATOM 0 HB3 LYS A 24 -0.299 14.805 7.727 1.00 73.11 H new ATOM 0 HG2 LYS A 24 0.910 15.747 9.562 1.00 21.30 H new ATOM 0 HG3 LYS A 24 1.080 17.282 8.733 1.00 21.30 H new ATOM 0 HD2 LYS A 24 -0.770 17.415 10.274 1.00 30.52 H new ATOM 0 HD3 LYS A 24 -1.376 17.491 8.631 1.00 30.52 H new ATOM 0 HE2 LYS A 24 -2.045 15.186 8.677 1.00 12.44 H new ATOM 0 HE3 LYS A 24 -1.200 14.905 10.187 1.00 12.44 H new ATOM 0 HZ1 LYS A 24 -3.746 15.334 10.140 1.00 32.45 H new ATOM 0 HZ2 LYS A 24 -2.791 15.964 11.395 1.00 32.45 H new ATOM 0 HZ3 LYS A 24 -3.283 16.968 10.116 1.00 32.45 H new ATOM 393 N HIS A 25 1.947 13.071 6.718 1.00 2.43 N ATOM 394 CA HIS A 25 2.458 11.800 7.206 1.00 1.33 C ATOM 395 C HIS A 25 2.777 10.903 6.045 1.00 43.14 C ATOM 396 O HIS A 25 1.950 10.729 5.176 1.00 2.03 O ATOM 397 CB HIS A 25 1.396 11.136 8.112 1.00 44.42 C ATOM 398 CG HIS A 25 1.725 9.755 8.613 1.00 30.31 C ATOM 399 ND1 HIS A 25 2.261 9.506 9.846 1.00 41.22 N ATOM 400 CD2 HIS A 25 1.543 8.546 8.033 1.00 4.32 C ATOM 401 CE1 HIS A 25 2.400 8.212 10.015 1.00 64.21 C ATOM 402 NE2 HIS A 25 1.969 7.600 8.925 1.00 32.12 N ATOM 0 H HIS A 25 1.459 13.014 5.824 1.00 2.43 H new ATOM 0 HA HIS A 25 3.368 11.969 7.782 1.00 1.33 H new ATOM 0 HB2 HIS A 25 1.227 11.782 8.973 1.00 44.42 H new ATOM 0 HB3 HIS A 25 0.457 11.087 7.561 1.00 44.42 H new ATOM 0 HD1 HIS A 25 2.514 10.218 10.531 1.00 41.22 H new ATOM 0 HD2 HIS A 25 1.137 8.362 7.049 1.00 4.32 H new ATOM 0 HE1 HIS A 25 2.799 7.729 10.895 1.00 64.21 H new ATOM 411 N LEU A 26 3.950 10.343 6.050 1.00 34.02 N ATOM 412 CA LEU A 26 4.383 9.416 5.029 1.00 54.23 C ATOM 413 C LEU A 26 4.861 8.127 5.642 1.00 3.34 C ATOM 414 O LEU A 26 5.710 8.119 6.531 1.00 2.35 O ATOM 415 CB LEU A 26 5.461 10.035 4.142 1.00 14.12 C ATOM 416 CG LEU A 26 4.979 11.072 3.142 1.00 34.43 C ATOM 417 CD1 LEU A 26 6.148 11.785 2.519 1.00 40.12 C ATOM 418 CD2 LEU A 26 4.184 10.375 2.052 1.00 0.31 C ATOM 0 H LEU A 26 4.649 10.516 6.772 1.00 34.02 H new ATOM 0 HA LEU A 26 3.524 9.190 4.397 1.00 54.23 H new ATOM 0 HB2 LEU A 26 6.211 10.497 4.783 1.00 14.12 H new ATOM 0 HB3 LEU A 26 5.959 9.234 3.595 1.00 14.12 H new ATOM 0 HG LEU A 26 4.356 11.801 3.659 1.00 34.43 H new ATOM 0 HD11 LEU A 26 5.785 12.524 1.805 1.00 40.12 H new ATOM 0 HD12 LEU A 26 6.726 12.285 3.297 1.00 40.12 H new ATOM 0 HD13 LEU A 26 6.782 11.063 2.003 1.00 40.12 H new ATOM 0 HD21 LEU A 26 3.834 11.112 1.329 1.00 0.31 H new ATOM 0 HD22 LEU A 26 4.819 9.646 1.548 1.00 0.31 H new ATOM 0 HD23 LEU A 26 3.328 9.866 2.495 1.00 0.31 H new ATOM 430 N LYS A 27 4.289 7.051 5.189 1.00 52.32 N ATOM 431 CA LYS A 27 4.620 5.751 5.632 1.00 12.35 C ATOM 432 C LYS A 27 4.634 4.811 4.437 1.00 73.05 C ATOM 433 O LYS A 27 3.598 4.424 3.955 1.00 20.34 O ATOM 434 CB LYS A 27 3.577 5.254 6.646 1.00 72.13 C ATOM 435 CG LYS A 27 3.881 3.901 7.180 1.00 20.44 C ATOM 436 CD LYS A 27 5.167 3.914 7.946 1.00 12.31 C ATOM 437 CE LYS A 27 5.619 2.535 8.190 1.00 60.44 C ATOM 438 NZ LYS A 27 4.681 1.752 9.016 1.00 43.41 N ATOM 0 H LYS A 27 3.557 7.066 4.479 1.00 52.32 H new ATOM 0 HA LYS A 27 5.600 5.774 6.109 1.00 12.35 H new ATOM 0 HB2 LYS A 27 3.519 5.960 7.474 1.00 72.13 H new ATOM 0 HB3 LYS A 27 2.596 5.239 6.171 1.00 72.13 H new ATOM 0 HG2 LYS A 27 3.069 3.569 7.827 1.00 20.44 H new ATOM 0 HG3 LYS A 27 3.947 3.187 6.359 1.00 20.44 H new ATOM 0 HD2 LYS A 27 5.927 4.462 7.388 1.00 12.31 H new ATOM 0 HD3 LYS A 27 5.030 4.434 8.894 1.00 12.31 H new ATOM 0 HE2 LYS A 27 5.758 2.031 7.234 1.00 60.44 H new ATOM 0 HE3 LYS A 27 6.592 2.560 8.682 1.00 60.44 H new ATOM 0 HZ1 LYS A 27 5.115 0.840 9.265 1.00 43.41 H new ATOM 0 HZ2 LYS A 27 4.461 2.279 9.885 1.00 43.41 H new ATOM 0 HZ3 LYS A 27 3.805 1.584 8.481 1.00 43.41 H new ATOM 452 N ILE A 28 5.778 4.483 3.940 1.00 21.41 N ATOM 453 CA ILE A 28 5.844 3.560 2.829 1.00 13.23 C ATOM 454 C ILE A 28 6.080 2.143 3.298 1.00 65.44 C ATOM 455 O ILE A 28 6.919 1.879 4.157 1.00 74.14 O ATOM 456 CB ILE A 28 6.836 3.984 1.711 1.00 53.54 C ATOM 457 CG1 ILE A 28 7.029 2.878 0.662 1.00 1.24 C ATOM 458 CG2 ILE A 28 8.105 4.466 2.254 1.00 30.43 C ATOM 459 CD1 ILE A 28 8.102 3.163 -0.376 1.00 71.12 C ATOM 0 H ILE A 28 6.678 4.829 4.272 1.00 21.41 H new ATOM 0 HA ILE A 28 4.862 3.595 2.358 1.00 13.23 H new ATOM 0 HB ILE A 28 6.384 4.828 1.191 1.00 53.54 H new ATOM 0 HG12 ILE A 28 7.278 1.949 1.176 1.00 1.24 H new ATOM 0 HG13 ILE A 28 6.081 2.714 0.149 1.00 1.24 H new ATOM 0 HG21 ILE A 28 8.766 4.751 1.436 1.00 30.43 H new ATOM 0 HG22 ILE A 28 7.923 5.331 2.891 1.00 30.43 H new ATOM 0 HG23 ILE A 28 8.573 3.676 2.841 1.00 30.43 H new ATOM 0 HD11 ILE A 28 8.165 2.327 -1.073 1.00 71.12 H new ATOM 0 HD12 ILE A 28 7.848 4.072 -0.922 1.00 71.12 H new ATOM 0 HD13 ILE A 28 9.063 3.295 0.121 1.00 71.12 H new ATOM 471 N LEU A 29 5.319 1.266 2.739 1.00 11.52 N ATOM 472 CA LEU A 29 5.318 -0.118 3.080 1.00 21.01 C ATOM 473 C LEU A 29 5.732 -0.949 1.868 1.00 4.04 C ATOM 474 O LEU A 29 5.043 -0.954 0.826 1.00 61.11 O ATOM 475 CB LEU A 29 3.912 -0.513 3.567 1.00 64.20 C ATOM 476 CG LEU A 29 3.693 -1.978 3.950 1.00 64.22 C ATOM 477 CD1 LEU A 29 4.629 -2.391 5.057 1.00 65.42 C ATOM 478 CD2 LEU A 29 2.257 -2.201 4.377 1.00 33.11 C ATOM 0 H LEU A 29 4.654 1.501 2.003 1.00 11.52 H new ATOM 0 HA LEU A 29 6.034 -0.308 3.880 1.00 21.01 H new ATOM 0 HB2 LEU A 29 3.668 0.103 4.433 1.00 64.20 H new ATOM 0 HB3 LEU A 29 3.199 -0.258 2.783 1.00 64.20 H new ATOM 0 HG LEU A 29 3.903 -2.591 3.074 1.00 64.22 H new ATOM 0 HD11 LEU A 29 4.453 -3.436 5.311 1.00 65.42 H new ATOM 0 HD12 LEU A 29 5.660 -2.266 4.727 1.00 65.42 H new ATOM 0 HD13 LEU A 29 4.451 -1.770 5.935 1.00 65.42 H new ATOM 0 HD21 LEU A 29 2.116 -3.248 4.647 1.00 33.11 H new ATOM 0 HD22 LEU A 29 2.031 -1.571 5.237 1.00 33.11 H new ATOM 0 HD23 LEU A 29 1.589 -1.945 3.555 1.00 33.11 H new ATOM 490 N ASN A 30 6.848 -1.626 1.977 1.00 22.33 N ATOM 491 CA ASN A 30 7.310 -2.471 0.893 1.00 14.15 C ATOM 492 C ASN A 30 6.660 -3.835 1.018 1.00 72.10 C ATOM 493 O ASN A 30 6.406 -4.309 2.130 1.00 41.10 O ATOM 494 CB ASN A 30 8.853 -2.570 0.844 1.00 41.41 C ATOM 495 CG ASN A 30 9.481 -3.246 2.055 1.00 53.24 C ATOM 496 OD1 ASN A 30 9.797 -2.593 3.045 1.00 10.30 O ATOM 497 ND2 ASN A 30 9.698 -4.538 1.970 1.00 70.43 N ATOM 0 H ASN A 30 7.453 -1.612 2.798 1.00 22.33 H new ATOM 0 HA ASN A 30 7.013 -2.019 -0.054 1.00 14.15 H new ATOM 0 HB2 ASN A 30 9.141 -3.119 -0.053 1.00 41.41 H new ATOM 0 HB3 ASN A 30 9.266 -1.566 0.749 1.00 41.41 H new ATOM 0 HD21 ASN A 30 10.143 -5.032 2.743 1.00 70.43 H new ATOM 0 HD22 ASN A 30 9.421 -5.047 1.131 1.00 70.43 H new ATOM 504 N THR A 31 6.368 -4.458 -0.093 1.00 73.10 N ATOM 505 CA THR A 31 5.645 -5.694 -0.067 1.00 12.21 C ATOM 506 C THR A 31 6.410 -6.802 -0.810 1.00 62.35 C ATOM 507 O THR A 31 6.696 -6.678 -1.993 1.00 4.12 O ATOM 508 CB THR A 31 4.284 -5.493 -0.717 1.00 62.31 C ATOM 509 OG1 THR A 31 3.684 -4.321 -0.151 1.00 74.43 O ATOM 510 CG2 THR A 31 3.375 -6.690 -0.455 1.00 32.03 C ATOM 0 H THR A 31 6.621 -4.128 -1.024 1.00 73.10 H new ATOM 0 HA THR A 31 5.524 -6.001 0.972 1.00 12.21 H new ATOM 0 HB THR A 31 4.414 -5.386 -1.794 1.00 62.31 H new ATOM 0 HG1 THR A 31 3.290 -4.543 0.718 1.00 74.43 H new ATOM 0 HG21 THR A 31 2.408 -6.523 -0.929 1.00 32.03 H new ATOM 0 HG22 THR A 31 3.831 -7.590 -0.867 1.00 32.03 H new ATOM 0 HG23 THR A 31 3.236 -6.813 0.619 1.00 32.03 H new ATOM 518 N PRO A 32 6.727 -7.901 -0.106 1.00 3.33 N ATOM 519 CA PRO A 32 7.468 -9.071 -0.665 1.00 75.00 C ATOM 520 C PRO A 32 6.797 -9.712 -1.886 1.00 43.14 C ATOM 521 O PRO A 32 7.442 -10.407 -2.667 1.00 5.52 O ATOM 522 CB PRO A 32 7.418 -10.074 0.491 1.00 23.31 C ATOM 523 CG PRO A 32 7.301 -9.243 1.708 1.00 14.13 C ATOM 524 CD PRO A 32 6.424 -8.094 1.325 1.00 22.41 C ATOM 0 HA PRO A 32 8.459 -8.774 -1.007 1.00 75.00 H new ATOM 0 HB2 PRO A 32 6.569 -10.751 0.391 1.00 23.31 H new ATOM 0 HB3 PRO A 32 8.316 -10.691 0.518 1.00 23.31 H new ATOM 0 HG2 PRO A 32 6.867 -9.811 2.531 1.00 14.13 H new ATOM 0 HG3 PRO A 32 8.279 -8.896 2.042 1.00 14.13 H new ATOM 0 HD2 PRO A 32 5.370 -8.321 1.486 1.00 22.41 H new ATOM 0 HD3 PRO A 32 6.651 -7.202 1.909 1.00 22.41 H new ATOM 532 N ASN A 33 5.518 -9.483 -2.034 1.00 54.00 N ATOM 533 CA ASN A 33 4.739 -10.130 -3.083 1.00 31.11 C ATOM 534 C ASN A 33 4.063 -9.120 -3.997 1.00 41.14 C ATOM 535 O ASN A 33 3.201 -9.476 -4.793 1.00 1.22 O ATOM 536 CB ASN A 33 3.701 -11.059 -2.436 1.00 21.34 C ATOM 537 CG ASN A 33 4.337 -12.238 -1.705 1.00 1.32 C ATOM 538 OD1 ASN A 33 5.358 -12.774 -2.124 1.00 0.23 O ATOM 539 ND2 ASN A 33 3.775 -12.614 -0.586 1.00 70.15 N ATOM 0 H ASN A 33 4.981 -8.850 -1.441 1.00 54.00 H new ATOM 0 HA ASN A 33 5.417 -10.712 -3.707 1.00 31.11 H new ATOM 0 HB2 ASN A 33 3.095 -10.486 -1.734 1.00 21.34 H new ATOM 0 HB3 ASN A 33 3.027 -11.435 -3.206 1.00 21.34 H new ATOM 0 HD21 ASN A 33 4.185 -13.370 -0.038 1.00 70.15 H new ATOM 0 HD22 ASN A 33 2.926 -12.151 -0.261 1.00 70.15 H new ATOM 546 N CYS A 34 4.476 -7.877 -3.908 1.00 34.13 N ATOM 547 CA CYS A 34 3.906 -6.813 -4.726 1.00 55.23 C ATOM 548 C CYS A 34 4.959 -5.761 -4.957 1.00 45.14 C ATOM 549 O CYS A 34 6.127 -5.965 -4.622 1.00 43.25 O ATOM 550 CB CYS A 34 2.699 -6.154 -4.020 1.00 11.41 C ATOM 551 SG CYS A 34 1.285 -7.241 -3.673 1.00 5.31 S ATOM 0 H CYS A 34 5.212 -7.568 -3.273 1.00 34.13 H new ATOM 0 HA CYS A 34 3.569 -7.244 -5.669 1.00 55.23 H new ATOM 0 HB2 CYS A 34 3.043 -5.728 -3.078 1.00 11.41 H new ATOM 0 HB3 CYS A 34 2.351 -5.325 -4.637 1.00 11.41 H new ATOM 556 N ALA A 35 4.566 -4.653 -5.528 1.00 2.54 N ATOM 557 CA ALA A 35 5.447 -3.525 -5.677 1.00 54.15 C ATOM 558 C ALA A 35 5.429 -2.734 -4.368 1.00 62.35 C ATOM 559 O ALA A 35 4.952 -3.245 -3.336 1.00 74.34 O ATOM 560 CB ALA A 35 4.965 -2.669 -6.824 1.00 70.40 C ATOM 0 H ALA A 35 3.628 -4.507 -5.902 1.00 2.54 H new ATOM 0 HA ALA A 35 6.465 -3.849 -5.893 1.00 54.15 H new ATOM 0 HB1 ALA A 35 5.628 -1.812 -6.942 1.00 70.40 H new ATOM 0 HB2 ALA A 35 4.965 -3.257 -7.742 1.00 70.40 H new ATOM 0 HB3 ALA A 35 3.954 -2.319 -6.617 1.00 70.40 H new ATOM 566 N LEU A 36 5.936 -1.526 -4.377 1.00 3.12 N ATOM 567 CA LEU A 36 5.911 -0.723 -3.177 1.00 74.12 C ATOM 568 C LEU A 36 4.741 0.194 -3.136 1.00 20.14 C ATOM 569 O LEU A 36 4.298 0.722 -4.153 1.00 51.41 O ATOM 570 CB LEU A 36 7.211 0.033 -2.897 1.00 14.12 C ATOM 571 CG LEU A 36 8.369 -0.799 -2.347 1.00 52.41 C ATOM 572 CD1 LEU A 36 8.795 -1.871 -3.302 1.00 25.42 C ATOM 573 CD2 LEU A 36 9.515 0.085 -1.952 1.00 60.32 C ATOM 0 H LEU A 36 6.365 -1.081 -5.188 1.00 3.12 H new ATOM 0 HA LEU A 36 5.806 -1.446 -2.368 1.00 74.12 H new ATOM 0 HB2 LEU A 36 7.538 0.507 -3.823 1.00 14.12 H new ATOM 0 HB3 LEU A 36 6.997 0.833 -2.188 1.00 14.12 H new ATOM 0 HG LEU A 36 8.014 -1.309 -1.451 1.00 52.41 H new ATOM 0 HD11 LEU A 36 9.620 -2.437 -2.869 1.00 25.42 H new ATOM 0 HD12 LEU A 36 7.957 -2.541 -3.494 1.00 25.42 H new ATOM 0 HD13 LEU A 36 9.118 -1.417 -4.238 1.00 25.42 H new ATOM 0 HD21 LEU A 36 10.329 -0.527 -1.563 1.00 60.32 H new ATOM 0 HD22 LEU A 36 9.863 0.641 -2.823 1.00 60.32 H new ATOM 0 HD23 LEU A 36 9.187 0.784 -1.183 1.00 60.32 H new ATOM 585 N GLN A 37 4.246 0.365 -1.964 1.00 43.44 N ATOM 586 CA GLN A 37 3.070 1.199 -1.718 1.00 24.03 C ATOM 587 C GLN A 37 3.345 2.185 -0.620 1.00 34.03 C ATOM 588 O GLN A 37 3.852 1.817 0.439 1.00 10.34 O ATOM 589 CB GLN A 37 1.783 0.379 -1.385 1.00 74.23 C ATOM 590 CG GLN A 37 1.121 -0.359 -2.565 1.00 32.45 C ATOM 591 CD GLN A 37 1.916 -1.508 -3.155 1.00 14.30 C ATOM 592 OE1 GLN A 37 1.833 -1.775 -4.348 1.00 42.43 O ATOM 593 NE2 GLN A 37 2.617 -2.231 -2.336 1.00 72.30 N ATOM 0 H GLN A 37 4.632 -0.064 -1.123 1.00 43.44 H new ATOM 0 HA GLN A 37 2.874 1.726 -2.652 1.00 24.03 H new ATOM 0 HB2 GLN A 37 2.033 -0.355 -0.619 1.00 74.23 H new ATOM 0 HB3 GLN A 37 1.049 1.056 -0.949 1.00 74.23 H new ATOM 0 HG2 GLN A 37 0.156 -0.742 -2.234 1.00 32.45 H new ATOM 0 HG3 GLN A 37 0.922 0.364 -3.356 1.00 32.45 H new ATOM 0 HE21 GLN A 37 2.665 -1.981 -1.348 1.00 72.30 H new ATOM 0 HE22 GLN A 37 3.120 -3.049 -2.680 1.00 72.30 H new ATOM 602 N ILE A 38 3.028 3.431 -0.853 1.00 72.44 N ATOM 603 CA ILE A 38 3.267 4.431 0.139 1.00 0.25 C ATOM 604 C ILE A 38 1.952 4.870 0.743 1.00 31.11 C ATOM 605 O ILE A 38 0.946 4.908 0.067 1.00 4.01 O ATOM 606 CB ILE A 38 4.037 5.654 -0.431 1.00 40.32 C ATOM 607 CG1 ILE A 38 5.255 5.142 -1.208 1.00 60.43 C ATOM 608 CG2 ILE A 38 4.453 6.613 0.695 1.00 51.00 C ATOM 609 CD1 ILE A 38 6.367 6.120 -1.405 1.00 15.22 C ATOM 0 H ILE A 38 2.606 3.771 -1.717 1.00 72.44 H new ATOM 0 HA ILE A 38 3.898 3.991 0.911 1.00 0.25 H new ATOM 0 HB ILE A 38 3.391 6.218 -1.104 1.00 40.32 H new ATOM 0 HG12 ILE A 38 5.653 4.271 -0.688 1.00 60.43 H new ATOM 0 HG13 ILE A 38 4.919 4.802 -2.188 1.00 60.43 H new ATOM 0 HG21 ILE A 38 4.990 7.461 0.271 1.00 51.00 H new ATOM 0 HG22 ILE A 38 3.564 6.970 1.216 1.00 51.00 H new ATOM 0 HG23 ILE A 38 5.100 6.089 1.399 1.00 51.00 H new ATOM 0 HD11 ILE A 38 7.173 5.647 -1.967 1.00 15.22 H new ATOM 0 HD12 ILE A 38 5.998 6.984 -1.958 1.00 15.22 H new ATOM 0 HD13 ILE A 38 6.743 6.444 -0.434 1.00 15.22 H new ATOM 621 N VAL A 39 1.954 5.128 1.997 1.00 34.41 N ATOM 622 CA VAL A 39 0.783 5.603 2.707 1.00 2.43 C ATOM 623 C VAL A 39 1.024 7.041 3.163 1.00 22.12 C ATOM 624 O VAL A 39 2.092 7.360 3.684 1.00 3.50 O ATOM 625 CB VAL A 39 0.487 4.691 3.938 1.00 31.11 C ATOM 626 CG1 VAL A 39 -0.663 5.212 4.764 1.00 43.21 C ATOM 627 CG2 VAL A 39 0.226 3.256 3.504 1.00 11.02 C ATOM 0 H VAL A 39 2.777 5.019 2.589 1.00 34.41 H new ATOM 0 HA VAL A 39 -0.080 5.571 2.042 1.00 2.43 H new ATOM 0 HB VAL A 39 1.377 4.707 4.568 1.00 31.11 H new ATOM 0 HG11 VAL A 39 -0.834 4.547 5.610 1.00 43.21 H new ATOM 0 HG12 VAL A 39 -0.425 6.211 5.130 1.00 43.21 H new ATOM 0 HG13 VAL A 39 -1.562 5.256 4.149 1.00 43.21 H new ATOM 0 HG21 VAL A 39 0.023 2.642 4.381 1.00 11.02 H new ATOM 0 HG22 VAL A 39 -0.634 3.229 2.835 1.00 11.02 H new ATOM 0 HG23 VAL A 39 1.102 2.868 2.985 1.00 11.02 H new ATOM 637 N ALA A 40 0.056 7.900 2.954 1.00 12.30 N ATOM 638 CA ALA A 40 0.189 9.290 3.332 1.00 52.10 C ATOM 639 C ALA A 40 -1.045 9.811 3.984 1.00 41.42 C ATOM 640 O ALA A 40 -2.118 9.344 3.729 1.00 42.30 O ATOM 641 CB ALA A 40 0.452 10.108 2.139 1.00 21.42 C ATOM 0 H ALA A 40 -0.837 7.662 2.522 1.00 12.30 H new ATOM 0 HA ALA A 40 1.016 9.351 4.040 1.00 52.10 H new ATOM 0 HB1 ALA A 40 0.551 11.154 2.430 1.00 21.42 H new ATOM 0 HB2 ALA A 40 1.375 9.774 1.665 1.00 21.42 H new ATOM 0 HB3 ALA A 40 -0.375 10.004 1.437 1.00 21.42 H new ATOM 647 N ARG A 41 -0.887 10.767 4.846 1.00 24.44 N ATOM 648 CA ARG A 41 -2.011 11.388 5.462 1.00 41.53 C ATOM 649 C ARG A 41 -2.122 12.837 5.054 1.00 71.00 C ATOM 650 O ARG A 41 -1.133 13.584 5.086 1.00 1.20 O ATOM 651 CB ARG A 41 -1.983 11.198 6.939 1.00 63.51 C ATOM 652 CG ARG A 41 -3.214 11.651 7.663 1.00 0.45 C ATOM 653 CD ARG A 41 -3.117 11.158 9.050 1.00 72.24 C ATOM 654 NE ARG A 41 -4.226 11.562 9.906 1.00 22.12 N ATOM 655 CZ ARG A 41 -4.266 11.344 11.229 1.00 33.13 C ATOM 656 NH1 ARG A 41 -3.286 10.652 11.823 1.00 71.24 N ATOM 657 NH2 ARG A 41 -5.291 11.794 11.946 1.00 13.02 N ATOM 0 H ARG A 41 0.018 11.134 5.139 1.00 24.44 H new ATOM 0 HA ARG A 41 -2.917 10.899 5.106 1.00 41.53 H new ATOM 0 HB2 ARG A 41 -1.825 10.140 7.150 1.00 63.51 H new ATOM 0 HB3 ARG A 41 -1.125 11.736 7.342 1.00 63.51 H new ATOM 0 HG2 ARG A 41 -3.291 12.738 7.647 1.00 0.45 H new ATOM 0 HG3 ARG A 41 -4.109 11.261 7.179 1.00 0.45 H new ATOM 0 HD2 ARG A 41 -3.063 10.069 9.034 1.00 72.24 H new ATOM 0 HD3 ARG A 41 -2.185 11.517 9.487 1.00 72.24 H new ATOM 0 HE ARG A 41 -5.018 12.038 9.474 1.00 22.12 H new ATOM 0 HH11 ARG A 41 -2.509 10.291 11.270 1.00 71.24 H new ATOM 0 HH12 ARG A 41 -3.316 10.486 12.829 1.00 71.24 H new ATOM 0 HH21 ARG A 41 -6.047 12.305 11.490 1.00 13.02 H new ATOM 0 HH22 ARG A 41 -5.321 11.628 12.952 1.00 13.02 H new ATOM 671 N LEU A 42 -3.311 13.219 4.687 1.00 74.11 N ATOM 672 CA LEU A 42 -3.593 14.538 4.150 1.00 5.04 C ATOM 673 C LEU A 42 -3.648 15.599 5.231 1.00 2.14 C ATOM 674 O LEU A 42 -4.041 15.332 6.360 1.00 31.31 O ATOM 675 CB LEU A 42 -4.916 14.524 3.365 1.00 2.23 C ATOM 676 CG LEU A 42 -4.979 13.561 2.180 1.00 20.22 C ATOM 677 CD1 LEU A 42 -6.310 13.672 1.473 1.00 21.42 C ATOM 678 CD2 LEU A 42 -3.844 13.822 1.215 1.00 43.02 C ATOM 0 H LEU A 42 -4.133 12.619 4.750 1.00 74.11 H new ATOM 0 HA LEU A 42 -2.772 14.793 3.480 1.00 5.04 H new ATOM 0 HB2 LEU A 42 -5.722 14.274 4.054 1.00 2.23 H new ATOM 0 HB3 LEU A 42 -5.110 15.532 2.999 1.00 2.23 H new ATOM 0 HG LEU A 42 -4.876 12.546 2.563 1.00 20.22 H new ATOM 0 HD11 LEU A 42 -6.335 12.978 0.633 1.00 21.42 H new ATOM 0 HD12 LEU A 42 -7.113 13.428 2.169 1.00 21.42 H new ATOM 0 HD13 LEU A 42 -6.444 14.690 1.107 1.00 21.42 H new ATOM 0 HD21 LEU A 42 -3.909 13.125 0.380 1.00 43.02 H new ATOM 0 HD22 LEU A 42 -3.912 14.844 0.841 1.00 43.02 H new ATOM 0 HD23 LEU A 42 -2.892 13.686 1.728 1.00 43.02 H new ATOM 690 N LYS A 43 -3.229 16.785 4.877 1.00 24.50 N ATOM 691 CA LYS A 43 -3.280 17.929 5.758 1.00 71.50 C ATOM 692 C LYS A 43 -4.628 18.619 5.694 1.00 41.13 C ATOM 693 O LYS A 43 -5.160 19.039 6.716 1.00 44.22 O ATOM 694 CB LYS A 43 -2.164 18.891 5.402 1.00 42.11 C ATOM 695 CG LYS A 43 -0.803 18.310 5.685 1.00 1.05 C ATOM 696 CD LYS A 43 0.322 19.164 5.156 1.00 72.51 C ATOM 697 CE LYS A 43 0.304 20.557 5.715 1.00 2.45 C ATOM 698 NZ LYS A 43 1.414 21.354 5.177 1.00 42.21 N ATOM 0 H LYS A 43 -2.837 16.990 3.958 1.00 24.50 H new ATOM 0 HA LYS A 43 -3.144 17.584 6.783 1.00 71.50 H new ATOM 0 HB2 LYS A 43 -2.234 19.152 4.346 1.00 42.11 H new ATOM 0 HB3 LYS A 43 -2.288 19.815 5.967 1.00 42.11 H new ATOM 0 HG2 LYS A 43 -0.683 18.186 6.761 1.00 1.05 H new ATOM 0 HG3 LYS A 43 -0.738 17.317 5.241 1.00 1.05 H new ATOM 0 HD2 LYS A 43 1.275 18.693 5.397 1.00 72.51 H new ATOM 0 HD3 LYS A 43 0.256 19.212 4.069 1.00 72.51 H new ATOM 0 HE2 LYS A 43 -0.644 21.037 5.473 1.00 2.45 H new ATOM 0 HE3 LYS A 43 0.373 20.517 6.802 1.00 2.45 H new ATOM 0 HZ1 LYS A 43 1.210 22.365 5.308 1.00 42.21 H new ATOM 0 HZ2 LYS A 43 2.292 21.110 5.679 1.00 42.21 H new ATOM 0 HZ3 LYS A 43 1.527 21.152 4.163 1.00 42.21 H new ATOM 712 N ASN A 44 -5.188 18.715 4.501 1.00 2.01 N ATOM 713 CA ASN A 44 -6.490 19.369 4.333 1.00 52.33 C ATOM 714 C ASN A 44 -7.649 18.557 4.924 1.00 22.11 C ATOM 715 O ASN A 44 -8.501 19.095 5.628 1.00 63.51 O ATOM 716 CB ASN A 44 -6.786 19.751 2.843 1.00 13.33 C ATOM 717 CG ASN A 44 -6.653 18.599 1.816 1.00 63.41 C ATOM 718 OD1 ASN A 44 -6.767 17.417 2.139 1.00 45.11 O ATOM 719 ND2 ASN A 44 -6.455 18.946 0.571 1.00 44.30 N ATOM 0 H ASN A 44 -4.775 18.356 3.640 1.00 2.01 H new ATOM 0 HA ASN A 44 -6.418 20.295 4.904 1.00 52.33 H new ATOM 0 HB2 ASN A 44 -7.798 20.151 2.784 1.00 13.33 H new ATOM 0 HB3 ASN A 44 -6.108 20.553 2.551 1.00 13.33 H new ATOM 0 HD21 ASN A 44 -6.392 18.231 -0.154 1.00 44.30 H new ATOM 0 HD22 ASN A 44 -6.363 19.932 0.325 1.00 44.30 H new ATOM 726 N ASN A 45 -7.657 17.273 4.667 1.00 53.54 N ATOM 727 CA ASN A 45 -8.755 16.402 5.096 1.00 42.34 C ATOM 728 C ASN A 45 -8.382 15.583 6.296 1.00 62.43 C ATOM 729 O ASN A 45 -9.228 14.908 6.876 1.00 51.14 O ATOM 730 CB ASN A 45 -9.159 15.470 3.950 1.00 14.23 C ATOM 731 CG ASN A 45 -9.690 16.217 2.749 1.00 3.44 C ATOM 732 OD1 ASN A 45 -10.310 17.264 2.876 1.00 25.41 O ATOM 733 ND2 ASN A 45 -9.429 15.710 1.582 1.00 30.30 N ATOM 0 H ASN A 45 -6.915 16.792 4.159 1.00 53.54 H new ATOM 0 HA ASN A 45 -9.593 17.042 5.371 1.00 42.34 H new ATOM 0 HB2 ASN A 45 -8.296 14.875 3.650 1.00 14.23 H new ATOM 0 HB3 ASN A 45 -9.919 14.774 4.304 1.00 14.23 H new ATOM 0 HD21 ASN A 45 -9.743 16.187 0.737 1.00 30.30 H new ATOM 0 HD22 ASN A 45 -8.910 14.835 1.511 1.00 30.30 H new ATOM 740 N ASN A 46 -7.097 15.605 6.636 1.00 70.03 N ATOM 741 CA ASN A 46 -6.538 14.864 7.791 1.00 1.44 C ATOM 742 C ASN A 46 -6.736 13.331 7.632 1.00 33.41 C ATOM 743 O ASN A 46 -6.497 12.553 8.562 1.00 1.01 O ATOM 744 CB ASN A 46 -7.158 15.379 9.122 1.00 64.43 C ATOM 745 CG ASN A 46 -6.495 14.809 10.378 1.00 73.31 C ATOM 746 OD1 ASN A 46 -5.292 14.510 10.387 1.00 53.11 O ATOM 747 ND2 ASN A 46 -7.263 14.648 11.431 1.00 53.32 N ATOM 0 H ASN A 46 -6.397 16.139 6.121 1.00 70.03 H new ATOM 0 HA ASN A 46 -5.464 15.049 7.822 1.00 1.44 H new ATOM 0 HB2 ASN A 46 -7.087 16.466 9.147 1.00 64.43 H new ATOM 0 HB3 ASN A 46 -8.219 15.129 9.138 1.00 64.43 H new ATOM 0 HD21 ASN A 46 -6.873 14.266 12.293 1.00 53.32 H new ATOM 0 HD22 ASN A 46 -8.249 14.905 11.387 1.00 53.32 H new ATOM 754 N ARG A 47 -7.119 12.895 6.440 1.00 64.23 N ATOM 755 CA ARG A 47 -7.387 11.496 6.227 1.00 63.21 C ATOM 756 C ARG A 47 -6.169 10.812 5.687 1.00 35.23 C ATOM 757 O ARG A 47 -5.364 11.439 4.989 1.00 10.30 O ATOM 758 CB ARG A 47 -8.576 11.265 5.298 1.00 43.53 C ATOM 759 CG ARG A 47 -8.363 11.640 3.863 1.00 12.31 C ATOM 760 CD ARG A 47 -9.567 11.219 3.040 1.00 4.04 C ATOM 761 NE ARG A 47 -9.404 11.428 1.590 1.00 2.33 N ATOM 762 CZ ARG A 47 -9.914 10.600 0.656 1.00 23.34 C ATOM 763 NH1 ARG A 47 -10.579 9.501 1.025 1.00 21.45 N ATOM 764 NH2 ARG A 47 -9.758 10.873 -0.631 1.00 25.44 N ATOM 0 H ARG A 47 -7.247 13.488 5.620 1.00 64.23 H new ATOM 0 HA ARG A 47 -7.647 11.068 7.195 1.00 63.21 H new ATOM 0 HB2 ARG A 47 -8.848 10.210 5.342 1.00 43.53 H new ATOM 0 HB3 ARG A 47 -9.427 11.830 5.679 1.00 43.53 H new ATOM 0 HG2 ARG A 47 -8.210 12.716 3.777 1.00 12.31 H new ATOM 0 HG3 ARG A 47 -7.463 11.158 3.481 1.00 12.31 H new ATOM 0 HD2 ARG A 47 -9.769 10.164 3.224 1.00 4.04 H new ATOM 0 HD3 ARG A 47 -10.440 11.775 3.381 1.00 4.04 H new ATOM 0 HE ARG A 47 -8.877 12.243 1.276 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -10.702 9.287 2.015 1.00 21.45 H new ATOM 0 HH12 ARG A 47 -10.964 8.876 0.317 1.00 21.45 H new ATOM 0 HH21 ARG A 47 -9.251 11.711 -0.917 1.00 25.44 H new ATOM 0 HH22 ARG A 47 -10.145 10.245 -1.336 1.00 25.44 H new ATOM 778 N GLN A 48 -6.007 9.565 6.010 1.00 21.40 N ATOM 779 CA GLN A 48 -4.894 8.840 5.558 1.00 44.12 C ATOM 780 C GLN A 48 -5.260 8.079 4.277 1.00 64.22 C ATOM 781 O GLN A 48 -6.308 7.433 4.200 1.00 13.41 O ATOM 782 CB GLN A 48 -4.387 7.934 6.670 1.00 50.11 C ATOM 783 CG GLN A 48 -3.081 7.300 6.352 1.00 21.11 C ATOM 784 CD GLN A 48 -2.500 6.510 7.500 1.00 14.30 C ATOM 785 OE1 GLN A 48 -1.746 7.044 8.316 1.00 74.35 O ATOM 786 NE2 GLN A 48 -2.836 5.253 7.577 1.00 42.54 N ATOM 0 H GLN A 48 -6.652 9.035 6.596 1.00 21.40 H new ATOM 0 HA GLN A 48 -4.076 9.513 5.302 1.00 44.12 H new ATOM 0 HB2 GLN A 48 -4.289 8.514 7.588 1.00 50.11 H new ATOM 0 HB3 GLN A 48 -5.125 7.156 6.862 1.00 50.11 H new ATOM 0 HG2 GLN A 48 -3.206 6.640 5.494 1.00 21.11 H new ATOM 0 HG3 GLN A 48 -2.372 8.074 6.058 1.00 21.11 H new ATOM 0 HE21 GLN A 48 -3.463 4.849 6.881 1.00 42.54 H new ATOM 0 HE22 GLN A 48 -2.472 4.673 8.333 1.00 42.54 H new ATOM 795 N VAL A 49 -4.417 8.198 3.287 1.00 52.23 N ATOM 796 CA VAL A 49 -4.625 7.647 1.960 1.00 70.14 C ATOM 797 C VAL A 49 -3.410 6.869 1.479 1.00 45.02 C ATOM 798 O VAL A 49 -2.393 6.775 2.173 1.00 63.13 O ATOM 799 CB VAL A 49 -4.923 8.763 0.925 1.00 30.24 C ATOM 800 CG1 VAL A 49 -6.280 9.398 1.162 1.00 41.35 C ATOM 801 CG2 VAL A 49 -3.834 9.836 0.964 1.00 73.33 C ATOM 0 H VAL A 49 -3.533 8.698 3.378 1.00 52.23 H new ATOM 0 HA VAL A 49 -5.481 6.977 2.039 1.00 70.14 H new ATOM 0 HB VAL A 49 -4.934 8.298 -0.061 1.00 30.24 H new ATOM 0 HG11 VAL A 49 -6.453 10.175 0.417 1.00 41.35 H new ATOM 0 HG12 VAL A 49 -7.057 8.638 1.080 1.00 41.35 H new ATOM 0 HG13 VAL A 49 -6.307 9.838 2.159 1.00 41.35 H new ATOM 0 HG21 VAL A 49 -4.060 10.611 0.231 1.00 73.33 H new ATOM 0 HG22 VAL A 49 -3.795 10.279 1.959 1.00 73.33 H new ATOM 0 HG23 VAL A 49 -2.870 9.385 0.729 1.00 73.33 H new ATOM 811 N CYS A 50 -3.519 6.329 0.287 1.00 2.30 N ATOM 812 CA CYS A 50 -2.451 5.580 -0.316 1.00 10.20 C ATOM 813 C CYS A 50 -1.816 6.406 -1.434 1.00 23.23 C ATOM 814 O CYS A 50 -2.515 7.084 -2.207 1.00 71.20 O ATOM 815 CB CYS A 50 -2.991 4.291 -0.911 1.00 40.34 C ATOM 816 SG CYS A 50 -3.965 3.263 0.223 1.00 61.42 S ATOM 0 H CYS A 50 -4.357 6.400 -0.291 1.00 2.30 H new ATOM 0 HA CYS A 50 -1.709 5.349 0.448 1.00 10.20 H new ATOM 0 HB2 CYS A 50 -3.610 4.539 -1.773 1.00 40.34 H new ATOM 0 HB3 CYS A 50 -2.152 3.701 -1.280 1.00 40.34 H new ATOM 821 N ILE A 51 -0.528 6.362 -1.510 1.00 41.40 N ATOM 822 CA ILE A 51 0.217 7.044 -2.516 1.00 65.15 C ATOM 823 C ILE A 51 0.826 6.082 -3.526 1.00 70.14 C ATOM 824 O ILE A 51 1.359 5.022 -3.164 1.00 14.51 O ATOM 825 CB ILE A 51 1.329 7.920 -1.899 1.00 31.13 C ATOM 826 CG1 ILE A 51 0.750 9.141 -1.208 1.00 74.35 C ATOM 827 CG2 ILE A 51 2.400 8.295 -2.889 1.00 45.13 C ATOM 828 CD1 ILE A 51 1.802 10.149 -0.805 1.00 73.24 C ATOM 0 H ILE A 51 0.052 5.836 -0.856 1.00 41.40 H new ATOM 0 HA ILE A 51 -0.491 7.687 -3.039 1.00 65.15 H new ATOM 0 HB ILE A 51 1.820 7.308 -1.142 1.00 31.13 H new ATOM 0 HG12 ILE A 51 0.032 9.621 -1.873 1.00 74.35 H new ATOM 0 HG13 ILE A 51 0.201 8.823 -0.321 1.00 74.35 H new ATOM 0 HG21 ILE A 51 3.152 8.910 -2.395 1.00 45.13 H new ATOM 0 HG22 ILE A 51 2.869 7.391 -3.278 1.00 45.13 H new ATOM 0 HG23 ILE A 51 1.955 8.856 -3.711 1.00 45.13 H new ATOM 0 HD11 ILE A 51 1.324 10.998 -0.316 1.00 73.24 H new ATOM 0 HD12 ILE A 51 2.507 9.684 -0.116 1.00 73.24 H new ATOM 0 HD13 ILE A 51 2.335 10.493 -1.692 1.00 73.24 H new ATOM 840 N ASP A 52 0.723 6.463 -4.781 1.00 74.31 N ATOM 841 CA ASP A 52 1.353 5.746 -5.871 1.00 23.02 C ATOM 842 C ASP A 52 2.834 6.115 -5.912 1.00 44.51 C ATOM 843 O ASP A 52 3.177 7.301 -5.924 1.00 50.05 O ATOM 844 CB ASP A 52 0.704 6.132 -7.188 1.00 4.25 C ATOM 845 CG ASP A 52 1.300 5.405 -8.365 1.00 30.24 C ATOM 846 OD1 ASP A 52 1.119 4.176 -8.484 1.00 71.12 O ATOM 847 OD2 ASP A 52 1.935 6.058 -9.196 1.00 70.51 O ATOM 0 H ASP A 52 0.196 7.285 -5.077 1.00 74.31 H new ATOM 0 HA ASP A 52 1.236 4.673 -5.717 1.00 23.02 H new ATOM 0 HB2 ASP A 52 -0.364 5.920 -7.138 1.00 4.25 H new ATOM 0 HB3 ASP A 52 0.809 7.206 -7.339 1.00 4.25 H new ATOM 852 N PRO A 53 3.727 5.120 -5.941 1.00 74.34 N ATOM 853 CA PRO A 53 5.185 5.347 -5.911 1.00 0.42 C ATOM 854 C PRO A 53 5.729 6.055 -7.162 1.00 50.43 C ATOM 855 O PRO A 53 6.909 6.426 -7.209 1.00 13.44 O ATOM 856 CB PRO A 53 5.757 3.928 -5.821 1.00 73.35 C ATOM 857 CG PRO A 53 4.705 3.072 -6.424 1.00 31.21 C ATOM 858 CD PRO A 53 3.405 3.683 -6.001 1.00 51.31 C ATOM 0 HA PRO A 53 5.462 6.005 -5.087 1.00 0.42 H new ATOM 0 HB2 PRO A 53 6.699 3.843 -6.363 1.00 73.35 H new ATOM 0 HB3 PRO A 53 5.957 3.644 -4.788 1.00 73.35 H new ATOM 0 HG2 PRO A 53 4.793 3.048 -7.510 1.00 31.21 H new ATOM 0 HG3 PRO A 53 4.788 2.043 -6.075 1.00 31.21 H new ATOM 0 HD2 PRO A 53 2.609 3.476 -6.716 1.00 51.31 H new ATOM 0 HD3 PRO A 53 3.074 3.302 -5.035 1.00 51.31 H new ATOM 866 N LYS A 54 4.890 6.243 -8.163 1.00 54.33 N ATOM 867 CA LYS A 54 5.325 6.891 -9.384 1.00 3.34 C ATOM 868 C LYS A 54 5.255 8.411 -9.283 1.00 75.22 C ATOM 869 O LYS A 54 5.734 9.109 -10.189 1.00 34.52 O ATOM 870 CB LYS A 54 4.569 6.371 -10.612 1.00 34.33 C ATOM 871 CG LYS A 54 4.719 4.861 -10.911 1.00 22.44 C ATOM 872 CD LYS A 54 6.076 4.451 -11.544 1.00 45.25 C ATOM 873 CE LYS A 54 7.299 4.678 -10.655 1.00 73.30 C ATOM 874 NZ LYS A 54 8.528 4.184 -11.288 1.00 71.12 N ATOM 0 H LYS A 54 3.911 5.958 -8.155 1.00 54.33 H new ATOM 0 HA LYS A 54 6.374 6.628 -9.519 1.00 3.34 H new ATOM 0 HB2 LYS A 54 3.510 6.592 -10.482 1.00 34.33 H new ATOM 0 HB3 LYS A 54 4.906 6.929 -11.485 1.00 34.33 H new ATOM 0 HG2 LYS A 54 4.586 4.307 -9.982 1.00 22.44 H new ATOM 0 HG3 LYS A 54 3.915 4.557 -11.582 1.00 22.44 H new ATOM 0 HD2 LYS A 54 6.031 3.395 -11.811 1.00 45.25 H new ATOM 0 HD3 LYS A 54 6.211 5.009 -12.471 1.00 45.25 H new ATOM 0 HE2 LYS A 54 7.402 5.742 -10.442 1.00 73.30 H new ATOM 0 HE3 LYS A 54 7.153 4.174 -9.700 1.00 73.30 H new ATOM 0 HZ1 LYS A 54 9.337 4.355 -10.657 1.00 71.12 H new ATOM 0 HZ2 LYS A 54 8.439 3.164 -11.469 1.00 71.12 H new ATOM 0 HZ3 LYS A 54 8.680 4.683 -12.188 1.00 71.12 H new ATOM 888 N LEU A 55 4.668 8.930 -8.185 1.00 32.14 N ATOM 889 CA LEU A 55 4.654 10.372 -7.953 1.00 55.35 C ATOM 890 C LEU A 55 6.085 10.903 -7.972 1.00 65.22 C ATOM 891 O LEU A 55 6.959 10.377 -7.288 1.00 30.35 O ATOM 892 CB LEU A 55 3.965 10.714 -6.624 1.00 13.33 C ATOM 893 CG LEU A 55 2.439 10.509 -6.534 1.00 30.41 C ATOM 894 CD1 LEU A 55 1.945 10.926 -5.164 1.00 45.12 C ATOM 895 CD2 LEU A 55 1.737 11.343 -7.584 1.00 72.30 C ATOM 0 H LEU A 55 4.208 8.376 -7.462 1.00 32.14 H new ATOM 0 HA LEU A 55 4.083 10.850 -8.749 1.00 55.35 H new ATOM 0 HB2 LEU A 55 4.431 10.115 -5.841 1.00 13.33 H new ATOM 0 HB3 LEU A 55 4.177 11.758 -6.395 1.00 13.33 H new ATOM 0 HG LEU A 55 2.220 9.454 -6.701 1.00 30.41 H new ATOM 0 HD11 LEU A 55 0.866 10.779 -5.106 1.00 45.12 H new ATOM 0 HD12 LEU A 55 2.435 10.321 -4.401 1.00 45.12 H new ATOM 0 HD13 LEU A 55 2.177 11.978 -4.998 1.00 45.12 H new ATOM 0 HD21 LEU A 55 0.660 11.190 -7.510 1.00 72.30 H new ATOM 0 HD22 LEU A 55 1.965 12.397 -7.424 1.00 72.30 H new ATOM 0 HD23 LEU A 55 2.079 11.044 -8.575 1.00 72.30 H new ATOM 907 N LYS A 56 6.326 11.935 -8.754 1.00 73.44 N ATOM 908 CA LYS A 56 7.676 12.430 -8.950 1.00 53.55 C ATOM 909 C LYS A 56 8.288 13.016 -7.679 1.00 15.13 C ATOM 910 O LYS A 56 9.489 12.867 -7.440 1.00 31.25 O ATOM 911 CB LYS A 56 7.758 13.395 -10.135 1.00 53.23 C ATOM 912 CG LYS A 56 9.167 13.865 -10.445 1.00 61.24 C ATOM 913 CD LYS A 56 9.212 14.664 -11.722 1.00 40.45 C ATOM 914 CE LYS A 56 10.625 15.097 -12.043 1.00 73.31 C ATOM 915 NZ LYS A 56 10.710 15.733 -13.369 1.00 11.15 N ATOM 0 H LYS A 56 5.607 12.448 -9.264 1.00 73.44 H new ATOM 0 HA LYS A 56 8.289 11.563 -9.198 1.00 53.55 H new ATOM 0 HB2 LYS A 56 7.345 12.907 -11.018 1.00 53.23 H new ATOM 0 HB3 LYS A 56 7.132 14.263 -9.929 1.00 53.23 H new ATOM 0 HG2 LYS A 56 9.539 14.473 -9.620 1.00 61.24 H new ATOM 0 HG3 LYS A 56 9.829 13.003 -10.530 1.00 61.24 H new ATOM 0 HD2 LYS A 56 8.816 14.066 -12.543 1.00 40.45 H new ATOM 0 HD3 LYS A 56 8.572 15.541 -11.629 1.00 40.45 H new ATOM 0 HE2 LYS A 56 10.974 15.794 -11.281 1.00 73.31 H new ATOM 0 HE3 LYS A 56 11.287 14.232 -12.011 1.00 73.31 H new ATOM 0 HZ1 LYS A 56 11.693 16.017 -13.555 1.00 11.15 H new ATOM 0 HZ2 LYS A 56 10.400 15.059 -14.098 1.00 11.15 H new ATOM 0 HZ3 LYS A 56 10.097 16.573 -13.391 1.00 11.15 H new ATOM 929 N TRP A 57 7.475 13.640 -6.840 1.00 30.33 N ATOM 930 CA TRP A 57 8.009 14.172 -5.593 1.00 53.24 C ATOM 931 C TRP A 57 8.332 13.003 -4.643 1.00 71.33 C ATOM 932 O TRP A 57 9.154 13.120 -3.745 1.00 10.11 O ATOM 933 CB TRP A 57 7.052 15.183 -4.926 1.00 4.23 C ATOM 934 CG TRP A 57 5.797 14.597 -4.359 1.00 12.44 C ATOM 935 CD1 TRP A 57 4.602 14.405 -4.979 1.00 64.13 C ATOM 936 CD2 TRP A 57 5.632 14.135 -3.028 1.00 63.22 C ATOM 937 NE1 TRP A 57 3.711 13.857 -4.097 1.00 33.11 N ATOM 938 CE2 TRP A 57 4.321 13.679 -2.901 1.00 41.11 C ATOM 939 CE3 TRP A 57 6.481 14.065 -1.933 1.00 43.14 C ATOM 940 CZ2 TRP A 57 3.829 13.157 -1.723 1.00 13.43 C ATOM 941 CZ3 TRP A 57 6.006 13.553 -0.766 1.00 64.33 C ATOM 942 CH2 TRP A 57 4.685 13.100 -0.663 1.00 4.21 C ATOM 0 H TRP A 57 6.477 13.788 -6.990 1.00 30.33 H new ATOM 0 HA TRP A 57 8.922 14.723 -5.820 1.00 53.24 H new ATOM 0 HB2 TRP A 57 7.589 15.693 -4.126 1.00 4.23 H new ATOM 0 HB3 TRP A 57 6.780 15.940 -5.661 1.00 4.23 H new ATOM 0 HD1 TRP A 57 4.389 14.648 -6.010 1.00 64.13 H new ATOM 0 HE1 TRP A 57 2.741 13.620 -4.307 1.00 33.11 H new ATOM 0 HE3 TRP A 57 7.501 14.411 -2.006 1.00 43.14 H new ATOM 0 HZ2 TRP A 57 2.810 12.808 -1.644 1.00 13.43 H new ATOM 0 HZ3 TRP A 57 6.657 13.495 0.094 1.00 64.33 H new ATOM 0 HH2 TRP A 57 4.337 12.697 0.276 1.00 4.21 H new ATOM 953 N ILE A 58 7.669 11.881 -4.878 1.00 64.11 N ATOM 954 CA ILE A 58 7.884 10.660 -4.143 1.00 35.24 C ATOM 955 C ILE A 58 9.214 10.061 -4.548 1.00 33.14 C ATOM 956 O ILE A 58 9.952 9.570 -3.711 1.00 12.05 O ATOM 957 CB ILE A 58 6.719 9.662 -4.393 1.00 51.30 C ATOM 958 CG1 ILE A 58 5.454 10.084 -3.648 1.00 72.21 C ATOM 959 CG2 ILE A 58 7.083 8.231 -4.091 1.00 12.31 C ATOM 960 CD1 ILE A 58 5.592 10.064 -2.145 1.00 51.21 C ATOM 0 H ILE A 58 6.954 11.800 -5.601 1.00 64.11 H new ATOM 0 HA ILE A 58 7.907 10.877 -3.075 1.00 35.24 H new ATOM 0 HB ILE A 58 6.514 9.701 -5.463 1.00 51.30 H new ATOM 0 HG12 ILE A 58 5.177 11.090 -3.964 1.00 72.21 H new ATOM 0 HG13 ILE A 58 4.637 9.423 -3.937 1.00 72.21 H new ATOM 0 HG21 ILE A 58 6.225 7.588 -4.287 1.00 12.31 H new ATOM 0 HG22 ILE A 58 7.917 7.926 -4.724 1.00 12.31 H new ATOM 0 HG23 ILE A 58 7.371 8.142 -3.044 1.00 12.31 H new ATOM 0 HD11 ILE A 58 4.652 10.376 -1.689 1.00 51.21 H new ATOM 0 HD12 ILE A 58 5.838 9.054 -1.816 1.00 51.21 H new ATOM 0 HD13 ILE A 58 6.386 10.747 -1.843 1.00 51.21 H new ATOM 972 N GLN A 59 9.515 10.132 -5.840 1.00 30.24 N ATOM 973 CA GLN A 59 10.801 9.681 -6.370 1.00 4.21 C ATOM 974 C GLN A 59 11.916 10.426 -5.638 1.00 55.32 C ATOM 975 O GLN A 59 12.864 9.816 -5.128 1.00 3.34 O ATOM 976 CB GLN A 59 10.878 9.966 -7.867 1.00 23.50 C ATOM 977 CG GLN A 59 9.776 9.294 -8.695 1.00 14.13 C ATOM 978 CD GLN A 59 9.832 9.672 -10.167 1.00 62.40 C ATOM 979 OE1 GLN A 59 10.904 9.948 -10.709 1.00 41.11 O ATOM 980 NE2 GLN A 59 8.684 9.696 -10.824 1.00 10.21 N ATOM 0 H GLN A 59 8.880 10.501 -6.548 1.00 30.24 H new ATOM 0 HA GLN A 59 10.909 8.607 -6.218 1.00 4.21 H new ATOM 0 HB2 GLN A 59 10.827 11.044 -8.023 1.00 23.50 H new ATOM 0 HB3 GLN A 59 11.848 9.635 -8.238 1.00 23.50 H new ATOM 0 HG2 GLN A 59 9.864 8.212 -8.599 1.00 14.13 H new ATOM 0 HG3 GLN A 59 8.803 9.572 -8.290 1.00 14.13 H new ATOM 0 HE21 GLN A 59 7.816 9.461 -10.343 1.00 10.21 H new ATOM 0 HE22 GLN A 59 8.667 9.949 -11.812 1.00 10.21 H new ATOM 989 N GLU A 60 11.760 11.754 -5.567 1.00 5.11 N ATOM 990 CA GLU A 60 12.647 12.622 -4.802 1.00 31.34 C ATOM 991 C GLU A 60 12.704 12.174 -3.355 1.00 14.44 C ATOM 992 O GLU A 60 13.772 11.948 -2.814 1.00 44.32 O ATOM 993 CB GLU A 60 12.138 14.061 -4.859 1.00 51.23 C ATOM 994 CG GLU A 60 12.317 14.748 -6.192 1.00 60.04 C ATOM 995 CD GLU A 60 13.766 15.051 -6.472 1.00 1.12 C ATOM 996 OE1 GLU A 60 14.251 16.126 -6.018 1.00 21.04 O ATOM 997 OE2 GLU A 60 14.435 14.262 -7.136 1.00 20.21 O ATOM 0 H GLU A 60 11.009 12.254 -6.043 1.00 5.11 H new ATOM 0 HA GLU A 60 13.645 12.565 -5.236 1.00 31.34 H new ATOM 0 HB2 GLU A 60 11.078 14.066 -4.604 1.00 51.23 H new ATOM 0 HB3 GLU A 60 12.653 14.643 -4.095 1.00 51.23 H new ATOM 0 HG2 GLU A 60 11.918 14.115 -6.984 1.00 60.04 H new ATOM 0 HG3 GLU A 60 11.742 15.674 -6.204 1.00 60.04 H new ATOM 1004 N TYR A 61 11.536 12.024 -2.751 1.00 51.33 N ATOM 1005 CA TYR A 61 11.405 11.621 -1.362 1.00 20.24 C ATOM 1006 C TYR A 61 12.137 10.321 -1.056 1.00 50.22 C ATOM 1007 O TYR A 61 12.788 10.221 -0.042 1.00 1.52 O ATOM 1008 CB TYR A 61 9.916 11.518 -0.966 1.00 34.24 C ATOM 1009 CG TYR A 61 9.670 10.943 0.415 1.00 41.45 C ATOM 1010 CD1 TYR A 61 9.997 11.657 1.558 1.00 41.10 C ATOM 1011 CD2 TYR A 61 9.107 9.680 0.570 1.00 75.15 C ATOM 1012 CE1 TYR A 61 9.779 11.126 2.815 1.00 51.20 C ATOM 1013 CE2 TYR A 61 8.883 9.145 1.817 1.00 0.10 C ATOM 1014 CZ TYR A 61 9.221 9.870 2.937 1.00 23.55 C ATOM 1015 OH TYR A 61 9.000 9.338 4.187 1.00 22.14 O ATOM 0 H TYR A 61 10.643 12.181 -3.218 1.00 51.33 H new ATOM 0 HA TYR A 61 11.879 12.396 -0.760 1.00 20.24 H new ATOM 0 HB2 TYR A 61 9.470 12.511 -1.017 1.00 34.24 H new ATOM 0 HB3 TYR A 61 9.400 10.899 -1.700 1.00 34.24 H new ATOM 0 HD1 TYR A 61 10.428 12.643 1.464 1.00 41.10 H new ATOM 0 HD2 TYR A 61 8.841 9.108 -0.307 1.00 75.15 H new ATOM 0 HE1 TYR A 61 10.044 11.691 3.697 1.00 51.20 H new ATOM 0 HE2 TYR A 61 8.445 8.163 1.917 1.00 0.10 H new ATOM 0 HH TYR A 61 8.601 8.447 4.098 1.00 22.14 H new ATOM 1025 N LEU A 62 12.053 9.355 -1.938 1.00 42.44 N ATOM 1026 CA LEU A 62 12.665 8.063 -1.690 1.00 51.14 C ATOM 1027 C LEU A 62 14.169 8.155 -1.677 1.00 23.25 C ATOM 1028 O LEU A 62 14.812 7.794 -0.689 1.00 24.40 O ATOM 1029 CB LEU A 62 12.191 7.038 -2.713 1.00 11.31 C ATOM 1030 CG LEU A 62 10.688 6.790 -2.730 1.00 71.41 C ATOM 1031 CD1 LEU A 62 10.322 5.763 -3.776 1.00 70.13 C ATOM 1032 CD2 LEU A 62 10.201 6.375 -1.352 1.00 15.44 C ATOM 0 H LEU A 62 11.569 9.434 -2.833 1.00 42.44 H new ATOM 0 HA LEU A 62 12.350 7.732 -0.700 1.00 51.14 H new ATOM 0 HB2 LEU A 62 12.501 7.368 -3.705 1.00 11.31 H new ATOM 0 HB3 LEU A 62 12.697 6.093 -2.519 1.00 11.31 H new ATOM 0 HG LEU A 62 10.188 7.721 -2.996 1.00 71.41 H new ATOM 0 HD11 LEU A 62 9.244 5.604 -3.768 1.00 70.13 H new ATOM 0 HD12 LEU A 62 10.629 6.120 -4.759 1.00 70.13 H new ATOM 0 HD13 LEU A 62 10.829 4.823 -3.556 1.00 70.13 H new ATOM 0 HD21 LEU A 62 9.125 6.202 -1.383 1.00 15.44 H new ATOM 0 HD22 LEU A 62 10.707 5.459 -1.048 1.00 15.44 H new ATOM 0 HD23 LEU A 62 10.421 7.166 -0.635 1.00 15.44 H new ATOM 1044 N GLU A 63 14.731 8.691 -2.725 1.00 64.12 N ATOM 1045 CA GLU A 63 16.173 8.786 -2.819 1.00 34.14 C ATOM 1046 C GLU A 63 16.734 9.805 -1.822 1.00 31.42 C ATOM 1047 O GLU A 63 17.862 9.683 -1.363 1.00 12.11 O ATOM 1048 CB GLU A 63 16.617 9.093 -4.249 1.00 15.14 C ATOM 1049 CG GLU A 63 16.068 10.384 -4.812 1.00 70.43 C ATOM 1050 CD GLU A 63 16.485 10.600 -6.227 1.00 33.15 C ATOM 1051 OE1 GLU A 63 15.777 10.153 -7.138 1.00 52.13 O ATOM 1052 OE2 GLU A 63 17.542 11.207 -6.463 1.00 50.33 O ATOM 0 H GLU A 63 14.222 9.068 -3.524 1.00 64.12 H new ATOM 0 HA GLU A 63 16.585 7.813 -2.552 1.00 34.14 H new ATOM 0 HB2 GLU A 63 17.706 9.133 -4.277 1.00 15.14 H new ATOM 0 HB3 GLU A 63 16.311 8.270 -4.895 1.00 15.14 H new ATOM 0 HG2 GLU A 63 14.980 10.371 -4.753 1.00 70.43 H new ATOM 0 HG3 GLU A 63 16.410 11.220 -4.202 1.00 70.43 H new ATOM 1059 N LYS A 64 15.938 10.781 -1.464 1.00 13.14 N ATOM 1060 CA LYS A 64 16.373 11.783 -0.538 1.00 55.35 C ATOM 1061 C LYS A 64 16.013 11.479 0.897 1.00 23.55 C ATOM 1062 O LYS A 64 16.281 12.272 1.778 1.00 43.41 O ATOM 1063 CB LYS A 64 15.930 13.138 -0.973 1.00 32.01 C ATOM 1064 CG LYS A 64 16.578 13.489 -2.284 1.00 2.01 C ATOM 1065 CD LYS A 64 16.237 14.844 -2.731 1.00 74.03 C ATOM 1066 CE LYS A 64 16.913 15.134 -4.055 1.00 22.12 C ATOM 1067 NZ LYS A 64 16.564 16.449 -4.603 1.00 41.41 N ATOM 0 H LYS A 64 14.983 10.899 -1.804 1.00 13.14 H new ATOM 0 HA LYS A 64 17.463 11.772 -0.553 1.00 55.35 H new ATOM 0 HB2 LYS A 64 14.845 13.160 -1.076 1.00 32.01 H new ATOM 0 HB3 LYS A 64 16.194 13.877 -0.217 1.00 32.01 H new ATOM 0 HG2 LYS A 64 17.660 13.403 -2.186 1.00 2.01 H new ATOM 0 HG3 LYS A 64 16.269 12.770 -3.043 1.00 2.01 H new ATOM 0 HD2 LYS A 64 15.156 14.941 -2.835 1.00 74.03 H new ATOM 0 HD3 LYS A 64 16.552 15.573 -1.984 1.00 74.03 H new ATOM 0 HE2 LYS A 64 17.994 15.076 -3.925 1.00 22.12 H new ATOM 0 HE3 LYS A 64 16.637 14.362 -4.774 1.00 22.12 H new ATOM 0 HZ1 LYS A 64 17.299 16.752 -5.274 1.00 41.41 H new ATOM 0 HZ2 LYS A 64 15.650 16.389 -5.095 1.00 41.41 H new ATOM 0 HZ3 LYS A 64 16.496 17.141 -3.829 1.00 41.41 H new ATOM 1081 N ALA A 65 15.386 10.342 1.134 1.00 4.53 N ATOM 1082 CA ALA A 65 15.176 9.889 2.498 1.00 42.31 C ATOM 1083 C ALA A 65 16.093 8.721 2.786 1.00 30.53 C ATOM 1084 O ALA A 65 16.529 8.513 3.919 1.00 54.10 O ATOM 1085 CB ALA A 65 13.729 9.486 2.742 1.00 43.12 C ATOM 0 H ALA A 65 15.018 9.722 0.412 1.00 4.53 H new ATOM 0 HA ALA A 65 15.404 10.717 3.170 1.00 42.31 H new ATOM 0 HB1 ALA A 65 13.613 9.153 3.773 1.00 43.12 H new ATOM 0 HB2 ALA A 65 13.078 10.341 2.561 1.00 43.12 H new ATOM 0 HB3 ALA A 65 13.458 8.675 2.066 1.00 43.12 H new ATOM 1091 N LEU A 66 16.396 7.959 1.744 1.00 2.24 N ATOM 1092 CA LEU A 66 17.219 6.770 1.877 1.00 54.45 C ATOM 1093 C LEU A 66 18.693 7.067 1.654 1.00 52.22 C ATOM 1094 O LEU A 66 19.524 6.769 2.512 1.00 72.54 O ATOM 1095 CB LEU A 66 16.738 5.677 0.928 1.00 0.42 C ATOM 1096 CG LEU A 66 15.276 5.259 1.098 1.00 53.25 C ATOM 1097 CD1 LEU A 66 14.913 4.147 0.138 1.00 21.52 C ATOM 1098 CD2 LEU A 66 14.989 4.857 2.535 1.00 15.23 C ATOM 0 H LEU A 66 16.081 8.147 0.792 1.00 2.24 H new ATOM 0 HA LEU A 66 17.115 6.415 2.902 1.00 54.45 H new ATOM 0 HB2 LEU A 66 16.884 6.019 -0.097 1.00 0.42 H new ATOM 0 HB3 LEU A 66 17.368 4.798 1.064 1.00 0.42 H new ATOM 0 HG LEU A 66 14.651 6.120 0.861 1.00 53.25 H new ATOM 0 HD11 LEU A 66 13.869 3.870 0.281 1.00 21.52 H new ATOM 0 HD12 LEU A 66 15.061 4.488 -0.887 1.00 21.52 H new ATOM 0 HD13 LEU A 66 15.547 3.281 0.328 1.00 21.52 H new ATOM 0 HD21 LEU A 66 13.943 4.564 2.629 1.00 15.23 H new ATOM 0 HD22 LEU A 66 15.627 4.018 2.812 1.00 15.23 H new ATOM 0 HD23 LEU A 66 15.191 5.700 3.196 1.00 15.23 H new ATOM 1110 N ASN A 67 19.020 7.664 0.513 1.00 10.33 N ATOM 1111 CA ASN A 67 20.419 7.996 0.191 1.00 23.21 C ATOM 1112 C ASN A 67 20.883 9.146 1.065 1.00 43.15 C ATOM 1113 O ASN A 67 22.039 9.205 1.489 1.00 50.32 O ATOM 1114 CB ASN A 67 20.563 8.380 -1.296 1.00 71.21 C ATOM 1115 CG ASN A 67 21.990 8.744 -1.700 1.00 21.14 C ATOM 1116 OD1 ASN A 67 22.968 8.211 -1.165 1.00 4.13 O ATOM 1117 ND2 ASN A 67 22.122 9.665 -2.631 1.00 75.32 N ATOM 0 H ASN A 67 18.346 7.930 -0.205 1.00 10.33 H new ATOM 0 HA ASN A 67 21.037 7.118 0.381 1.00 23.21 H new ATOM 0 HB2 ASN A 67 20.221 7.548 -1.912 1.00 71.21 H new ATOM 0 HB3 ASN A 67 19.908 9.225 -1.509 1.00 71.21 H new ATOM 0 HD21 ASN A 67 23.052 9.958 -2.930 1.00 75.32 H new ATOM 0 HD22 ASN A 67 21.294 10.086 -3.053 1.00 75.32 H new ATOM 1124 N LYS A 68 19.979 10.043 1.343 1.00 12.53 N ATOM 1125 CA LYS A 68 20.272 11.180 2.159 1.00 35.52 C ATOM 1126 C LYS A 68 19.543 11.029 3.490 1.00 65.21 C ATOM 1127 O LYS A 68 18.375 11.388 3.590 1.00 37.34 O ATOM 1128 CB LYS A 68 19.946 12.498 1.381 1.00 74.23 C ATOM 1129 CG LYS A 68 20.267 13.827 2.099 1.00 21.34 C ATOM 1130 CD LYS A 68 19.135 14.318 2.996 1.00 55.13 C ATOM 1131 CE LYS A 68 17.930 14.755 2.165 1.00 4.50 C ATOM 1132 NZ LYS A 68 16.790 15.187 3.001 1.00 1.24 N ATOM 1133 OXT LYS A 68 20.161 10.496 4.447 1.00 37.34 O ATOM 0 H LYS A 68 19.017 10.003 1.008 1.00 12.53 H new ATOM 0 HA LYS A 68 21.335 11.242 2.392 1.00 35.52 H new ATOM 0 HB2 LYS A 68 20.493 12.480 0.438 1.00 74.23 H new ATOM 0 HB3 LYS A 68 18.884 12.493 1.134 1.00 74.23 H new ATOM 0 HG2 LYS A 68 21.167 13.699 2.700 1.00 21.34 H new ATOM 0 HG3 LYS A 68 20.487 14.591 1.353 1.00 21.34 H new ATOM 0 HD2 LYS A 68 18.840 13.525 3.682 1.00 55.13 H new ATOM 0 HD3 LYS A 68 19.484 15.152 3.604 1.00 55.13 H new ATOM 0 HE2 LYS A 68 18.224 15.573 1.507 1.00 4.50 H new ATOM 0 HE3 LYS A 68 17.615 13.930 1.526 1.00 4.50 H new ATOM 0 HZ1 LYS A 68 15.999 15.473 2.389 1.00 1.24 H new ATOM 0 HZ2 LYS A 68 16.489 14.400 3.611 1.00 1.24 H new ATOM 0 HZ3 LYS A 68 17.079 15.992 3.592 1.00 1.24 H new TER 1147 LYS A 68