USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 634 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 67 CYS SG : rot 50:sc= -0.385 USER MOD Set 1.2: A 70 CYS SG : rot 180:sc= -0.814 USER MOD Set 1.3: A 74 TYR OH : rot 10:sc= -0.764 USER MOD Set 1.4: A 83 HIS : no HD1:sc= -0.603 K(o=-4.4,f=-8.1) USER MOD Set 1.5: A 88 HIS : no HD1:sc= -1.86 K(o=-4.4,f=-8.5!) USER MOD Set 2.1: A 39 CYS SG : rot 174:sc= -0.849 USER MOD Set 2.2: A 42 CYS SG : rot -41:sc= -1.22 USER MOD Set 2.3: A 55 HIS : no HE2:sc= -1.2 K(o=-4.8,f=-8.2) USER MOD Set 2.4: A 60 HIS : no HD1:sc= -1.58 K(o=-4.8,f=-7.8!) USER MOD Set 3.1: A 12 CYS SG : rot -168:sc= -0.535 USER MOD Set 3.2: A 15 CYS SG : rot 180:sc= -3.7! USER MOD Set 3.3: A 28 HIS : no HD1:sc= -15.7! C(o=-21!,f=-28!) USER MOD Set 3.4: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.5: A 32 HIS : no HD1:sc= -0.565 K(o=-21,f=-25!) USER MOD Set 4.1: A 17 TYR OH : rot 107:sc= 1.19 USER MOD Set 4.2: A 19 SER OG : rot 103:sc= -0.792 USER MOD Set 4.3: A 24 ASN : amide:sc= 0.308 K(o=0.71,f=-4.5!) USER MOD Set 5.1: A 14 GLN : amide:sc= -1.47 K(o=-1.7,f=-6.1) USER MOD Set 5.2: A 36 LYS NZ :NH3+ -138:sc= -0.267 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 135:sc= -1.38! (180deg=-2.51!) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc=-0.00042 (180deg=-0.0857) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.68! K(o=-2.7!,f=-1.3) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -52:sc= 0.326 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 150:sc= -1.18 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -0.13 X(o=-0.13,f=-0.33) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.51) USER MOD Single : A 66 HIS : no HD1:sc= -0.661 K(o=-0.66,f=-1.7) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0549 (180deg=-0.322) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= -1.55 (180deg=-2.59!) USER MOD Single : A 79 ASN : amide:sc= -1.55! K(o=-1.5!,f=-0.69) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -27.388 -10.521 -36.378 1.00 0.00 N ATOM 67 CA LYS A 8 -26.564 -9.331 -36.551 1.00 0.00 C ATOM 68 C LYS A 8 -25.200 -9.514 -35.893 1.00 0.00 C ATOM 69 O LYS A 8 -24.775 -8.715 -35.058 1.00 0.00 O ATOM 70 CB LYS A 8 -27.267 -8.108 -35.960 1.00 0.00 C ATOM 71 CG LYS A 8 -28.349 -7.535 -36.859 1.00 0.00 C ATOM 72 CD LYS A 8 -29.224 -6.540 -36.114 1.00 0.00 C ATOM 73 CE LYS A 8 -28.603 -5.152 -36.102 1.00 0.00 C ATOM 74 NZ LYS A 8 -27.538 -5.030 -35.067 1.00 0.00 N ATOM 0 HA LYS A 8 -26.415 -9.175 -37.619 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.709 -8.381 -35.002 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.525 -7.335 -35.760 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -27.889 -7.045 -37.717 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -28.967 -8.345 -37.248 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -30.207 -6.496 -36.583 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.374 -6.881 -35.090 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.182 -4.934 -37.084 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -29.378 -4.409 -35.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -26.710 -4.550 -35.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -27.897 -4.477 -34.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -27.262 -5.978 -34.739 1.00 0.00 H new ATOM 88 N PRO A 9 -24.496 -10.589 -36.277 1.00 0.00 N ATOM 89 CA PRO A 9 -23.168 -10.900 -35.738 1.00 0.00 C ATOM 90 C PRO A 9 -22.105 -9.914 -36.209 1.00 0.00 C ATOM 91 O PRO A 9 -21.146 -9.631 -35.491 1.00 0.00 O ATOM 92 CB PRO A 9 -22.881 -12.300 -36.288 1.00 0.00 C ATOM 93 CG PRO A 9 -23.702 -12.395 -37.528 1.00 0.00 C ATOM 94 CD PRO A 9 -24.941 -11.584 -37.268 1.00 0.00 C ATOM 0 HA PRO A 9 -23.146 -10.842 -34.650 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -21.821 -12.431 -36.504 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -23.158 -13.072 -35.570 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -23.156 -12.008 -38.388 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -23.954 -13.432 -37.751 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -25.308 -11.109 -38.178 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -25.752 -12.202 -36.881 1.00 0.00 H new ATOM 102 N TYR A 10 -22.282 -9.394 -37.419 1.00 0.00 N ATOM 103 CA TYR A 10 -21.337 -8.441 -37.987 1.00 0.00 C ATOM 104 C TYR A 10 -21.185 -7.220 -37.084 1.00 0.00 C ATOM 105 O TYR A 10 -22.018 -6.313 -37.100 1.00 0.00 O ATOM 106 CB TYR A 10 -21.794 -8.005 -39.380 1.00 0.00 C ATOM 107 CG TYR A 10 -21.745 -9.113 -40.407 1.00 0.00 C ATOM 108 CD1 TYR A 10 -21.707 -10.447 -40.018 1.00 0.00 C ATOM 109 CD2 TYR A 10 -21.736 -8.827 -41.767 1.00 0.00 C ATOM 110 CE1 TYR A 10 -21.661 -11.463 -40.953 1.00 0.00 C ATOM 111 CE2 TYR A 10 -21.692 -9.837 -42.709 1.00 0.00 C ATOM 112 CZ TYR A 10 -21.655 -11.153 -42.297 1.00 0.00 C ATOM 113 OH TYR A 10 -21.610 -12.161 -43.232 1.00 0.00 O ATOM 0 H TYR A 10 -23.072 -9.617 -38.025 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.368 -8.934 -38.068 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -22.814 -7.625 -39.316 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -21.167 -7.180 -39.717 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -21.714 -10.693 -38.967 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -21.764 -7.798 -42.093 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -21.630 -12.494 -40.633 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -21.687 -9.597 -43.762 1.00 0.00 H new ATOM 0 HH TYR A 10 -22.049 -12.960 -42.873 1.00 0.00 H new ATOM 123 N LYS A 11 -20.115 -7.204 -36.296 1.00 0.00 N ATOM 124 CA LYS A 11 -19.851 -6.096 -35.387 1.00 0.00 C ATOM 125 C LYS A 11 -18.953 -5.053 -36.046 1.00 0.00 C ATOM 126 O LYS A 11 -18.145 -5.377 -36.917 1.00 0.00 O ATOM 127 CB LYS A 11 -19.196 -6.608 -34.102 1.00 0.00 C ATOM 128 CG LYS A 11 -20.051 -7.606 -33.340 1.00 0.00 C ATOM 129 CD LYS A 11 -21.402 -7.017 -32.972 1.00 0.00 C ATOM 130 CE LYS A 11 -22.316 -8.062 -32.352 1.00 0.00 C ATOM 131 NZ LYS A 11 -21.743 -8.627 -31.099 1.00 0.00 N ATOM 0 H LYS A 11 -19.416 -7.947 -36.269 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.804 -5.627 -35.141 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -18.243 -7.074 -34.351 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.976 -5.760 -33.453 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -20.196 -8.500 -33.947 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.530 -7.916 -32.434 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -21.262 -6.193 -32.272 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -21.874 -6.602 -33.863 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -23.287 -7.614 -32.138 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -22.487 -8.866 -33.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.445 -9.246 -30.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.890 -9.178 -31.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.494 -7.853 -30.451 1.00 0.00 H new ATOM 145 N CYS A 12 -19.099 -3.802 -35.624 1.00 0.00 N ATOM 146 CA CYS A 12 -18.302 -2.712 -36.173 1.00 0.00 C ATOM 147 C CYS A 12 -17.002 -2.542 -35.391 1.00 0.00 C ATOM 148 O CYS A 12 -17.002 -2.290 -34.186 1.00 0.00 O ATOM 149 CB CYS A 12 -19.099 -1.406 -36.148 1.00 0.00 C ATOM 150 SG CYS A 12 -18.175 0.041 -36.759 1.00 0.00 S ATOM 0 H CYS A 12 -19.762 -3.518 -34.903 1.00 0.00 H new ATOM 0 HA CYS A 12 -18.056 -2.960 -37.206 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -19.999 -1.530 -36.751 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -19.424 -1.211 -35.126 1.00 0.00 H new ATOM 0 HG CYS A 12 -18.830 1.127 -36.472 1.00 0.00 H new ATOM 155 N PRO A 13 -15.867 -2.683 -36.092 1.00 0.00 N ATOM 156 CA PRO A 13 -14.540 -2.549 -35.485 1.00 0.00 C ATOM 157 C PRO A 13 -14.228 -1.111 -35.084 1.00 0.00 C ATOM 158 O PRO A 13 -13.137 -0.816 -34.599 1.00 0.00 O ATOM 159 CB PRO A 13 -13.593 -3.012 -36.596 1.00 0.00 C ATOM 160 CG PRO A 13 -14.342 -2.763 -37.859 1.00 0.00 C ATOM 161 CD PRO A 13 -15.793 -2.984 -37.532 1.00 0.00 C ATOM 0 HA PRO A 13 -14.453 -3.126 -34.564 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -12.656 -2.456 -36.575 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.340 -4.067 -36.487 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -14.174 -1.748 -38.219 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -14.013 -3.439 -38.648 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.441 -2.328 -38.114 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -16.102 -4.007 -37.745 1.00 0.00 H new ATOM 169 N GLN A 14 -15.194 -0.222 -35.290 1.00 0.00 N ATOM 170 CA GLN A 14 -15.022 1.185 -34.949 1.00 0.00 C ATOM 171 C GLN A 14 -15.931 1.580 -33.790 1.00 0.00 C ATOM 172 O GLN A 14 -15.574 2.424 -32.967 1.00 0.00 O ATOM 173 CB GLN A 14 -15.314 2.066 -36.165 1.00 0.00 C ATOM 174 CG GLN A 14 -14.489 1.705 -37.390 1.00 0.00 C ATOM 175 CD GLN A 14 -14.181 2.906 -38.261 1.00 0.00 C ATOM 176 OE1 GLN A 14 -13.787 3.962 -37.766 1.00 0.00 O ATOM 177 NE2 GLN A 14 -14.360 2.752 -39.568 1.00 0.00 N ATOM 0 H GLN A 14 -16.103 -0.451 -35.691 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.987 1.334 -34.642 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.372 1.988 -36.414 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -15.124 3.107 -35.903 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.555 1.243 -37.071 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.027 0.962 -37.979 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.688 1.859 -39.936 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.169 3.527 -40.204 1.00 0.00 H new ATOM 186 N CYS A 15 -17.108 0.966 -33.732 1.00 0.00 N ATOM 187 CA CYS A 15 -18.069 1.254 -32.675 1.00 0.00 C ATOM 188 C CYS A 15 -18.791 -0.017 -32.235 1.00 0.00 C ATOM 189 O CYS A 15 -18.463 -1.116 -32.683 1.00 0.00 O ATOM 190 CB CYS A 15 -19.087 2.292 -33.151 1.00 0.00 C ATOM 191 SG CYS A 15 -20.503 1.586 -34.053 1.00 0.00 S ATOM 0 H CYS A 15 -17.419 0.266 -34.405 1.00 0.00 H new ATOM 0 HA CYS A 15 -17.523 1.655 -31.821 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -19.459 2.843 -32.287 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -18.582 3.012 -33.795 1.00 0.00 H new ATOM 0 HG CYS A 15 -21.308 2.541 -34.413 1.00 0.00 H new ATOM 196 N SER A 16 -19.775 0.142 -31.356 1.00 0.00 N ATOM 197 CA SER A 16 -20.541 -0.992 -30.853 1.00 0.00 C ATOM 198 C SER A 16 -21.709 -1.314 -31.780 1.00 0.00 C ATOM 199 O SER A 16 -22.778 -1.726 -31.330 1.00 0.00 O ATOM 200 CB SER A 16 -21.059 -0.700 -29.443 1.00 0.00 C ATOM 201 OG SER A 16 -19.994 -0.384 -28.563 1.00 0.00 O ATOM 0 H SER A 16 -20.061 1.045 -30.977 1.00 0.00 H new ATOM 0 HA SER A 16 -19.880 -1.858 -30.817 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.765 0.129 -29.476 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.602 -1.566 -29.065 1.00 0.00 H new ATOM 0 HG SER A 16 -20.352 -0.200 -27.669 1.00 0.00 H new ATOM 207 N TYR A 17 -21.496 -1.121 -33.077 1.00 0.00 N ATOM 208 CA TYR A 17 -22.531 -1.388 -34.069 1.00 0.00 C ATOM 209 C TYR A 17 -22.524 -2.856 -34.482 1.00 0.00 C ATOM 210 O TYR A 17 -21.486 -3.516 -34.452 1.00 0.00 O ATOM 211 CB TYR A 17 -22.330 -0.499 -35.298 1.00 0.00 C ATOM 212 CG TYR A 17 -23.210 -0.876 -36.468 1.00 0.00 C ATOM 213 CD1 TYR A 17 -24.527 -0.438 -36.541 1.00 0.00 C ATOM 214 CD2 TYR A 17 -22.726 -1.671 -37.500 1.00 0.00 C ATOM 215 CE1 TYR A 17 -25.335 -0.780 -37.608 1.00 0.00 C ATOM 216 CE2 TYR A 17 -23.526 -2.016 -38.571 1.00 0.00 C ATOM 217 CZ TYR A 17 -24.830 -1.569 -38.621 1.00 0.00 C ATOM 218 OH TYR A 17 -25.631 -1.913 -39.685 1.00 0.00 O ATOM 0 H TYR A 17 -20.617 -0.781 -33.466 1.00 0.00 H new ATOM 0 HA TYR A 17 -23.497 -1.161 -33.619 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -22.529 0.537 -35.023 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -21.286 -0.552 -35.607 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -24.925 0.180 -35.750 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -21.706 -2.025 -37.464 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -26.356 -0.432 -37.649 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -23.133 -2.633 -39.366 1.00 0.00 H new ATOM 0 HH TYR A 17 -25.359 -1.404 -40.477 1.00 0.00 H new ATOM 228 N ALA A 18 -23.691 -3.361 -34.869 1.00 0.00 N ATOM 229 CA ALA A 18 -23.821 -4.750 -35.292 1.00 0.00 C ATOM 230 C ALA A 18 -24.717 -4.868 -36.520 1.00 0.00 C ATOM 231 O ALA A 18 -25.564 -4.010 -36.767 1.00 0.00 O ATOM 232 CB ALA A 18 -24.367 -5.599 -34.153 1.00 0.00 C ATOM 0 H ALA A 18 -24.560 -2.828 -34.898 1.00 0.00 H new ATOM 0 HA ALA A 18 -22.831 -5.117 -35.561 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -24.459 -6.634 -34.482 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -23.687 -5.548 -33.303 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -25.347 -5.224 -33.857 1.00 0.00 H new ATOM 238 N SER A 19 -24.525 -5.937 -37.286 1.00 0.00 N ATOM 239 CA SER A 19 -25.313 -6.166 -38.491 1.00 0.00 C ATOM 240 C SER A 19 -25.261 -7.633 -38.904 1.00 0.00 C ATOM 241 O SER A 19 -24.524 -8.428 -38.321 1.00 0.00 O ATOM 242 CB SER A 19 -24.804 -5.284 -39.634 1.00 0.00 C ATOM 243 OG SER A 19 -25.880 -4.778 -40.405 1.00 0.00 O ATOM 0 H SER A 19 -23.830 -6.658 -37.093 1.00 0.00 H new ATOM 0 HA SER A 19 -26.349 -5.905 -38.273 1.00 0.00 H new ATOM 0 HB2 SER A 19 -24.223 -4.456 -39.228 1.00 0.00 H new ATOM 0 HB3 SER A 19 -24.135 -5.861 -40.272 1.00 0.00 H new ATOM 0 HG SER A 19 -26.037 -3.839 -40.171 1.00 0.00 H new ATOM 249 N ALA A 20 -26.050 -7.986 -39.915 1.00 0.00 N ATOM 250 CA ALA A 20 -26.093 -9.356 -40.408 1.00 0.00 C ATOM 251 C ALA A 20 -25.592 -9.439 -41.846 1.00 0.00 C ATOM 252 O ALA A 20 -25.085 -10.474 -42.278 1.00 0.00 O ATOM 253 CB ALA A 20 -27.507 -9.909 -40.307 1.00 0.00 C ATOM 0 H ALA A 20 -26.668 -7.341 -40.408 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.433 -9.960 -39.786 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -27.524 -10.933 -40.679 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -27.830 -9.895 -39.266 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -28.181 -9.295 -40.904 1.00 0.00 H new ATOM 259 N ILE A 21 -25.739 -8.342 -42.582 1.00 0.00 N ATOM 260 CA ILE A 21 -25.301 -8.291 -43.971 1.00 0.00 C ATOM 261 C ILE A 21 -23.960 -7.577 -44.099 1.00 0.00 C ATOM 262 O ILE A 21 -23.747 -6.521 -43.503 1.00 0.00 O ATOM 263 CB ILE A 21 -26.336 -7.579 -44.862 1.00 0.00 C ATOM 264 CG1 ILE A 21 -27.700 -8.264 -44.745 1.00 0.00 C ATOM 265 CG2 ILE A 21 -25.868 -7.563 -46.310 1.00 0.00 C ATOM 266 CD1 ILE A 21 -28.571 -7.693 -43.649 1.00 0.00 C ATOM 0 H ILE A 21 -26.158 -7.477 -42.239 1.00 0.00 H new ATOM 0 HA ILE A 21 -25.194 -9.323 -44.306 1.00 0.00 H new ATOM 0 HB ILE A 21 -26.437 -6.548 -44.522 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -28.224 -8.177 -45.697 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -27.549 -9.328 -44.561 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -26.610 -7.056 -46.927 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -24.917 -7.035 -46.379 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -25.741 -8.587 -46.663 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -29.521 -8.226 -43.624 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -28.067 -7.804 -42.689 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -28.753 -6.636 -43.843 1.00 0.00 H new ATOM 278 N LYS A 22 -23.059 -8.159 -44.883 1.00 0.00 N ATOM 279 CA LYS A 22 -21.738 -7.578 -45.093 1.00 0.00 C ATOM 280 C LYS A 22 -21.849 -6.147 -45.610 1.00 0.00 C ATOM 281 O LYS A 22 -21.138 -5.254 -45.150 1.00 0.00 O ATOM 282 CB LYS A 22 -20.936 -8.427 -46.081 1.00 0.00 C ATOM 283 CG LYS A 22 -21.800 -9.169 -47.087 1.00 0.00 C ATOM 284 CD LYS A 22 -22.165 -10.558 -46.591 1.00 0.00 C ATOM 285 CE LYS A 22 -23.518 -11.003 -47.126 1.00 0.00 C ATOM 286 NZ LYS A 22 -23.630 -12.487 -47.185 1.00 0.00 N ATOM 0 H LYS A 22 -23.219 -9.033 -45.384 1.00 0.00 H new ATOM 0 HA LYS A 22 -21.220 -7.560 -44.134 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -20.239 -7.783 -46.618 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -20.339 -9.150 -45.525 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -22.709 -8.599 -47.277 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -21.269 -9.248 -48.036 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -21.399 -11.269 -46.900 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -22.184 -10.563 -45.501 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -24.309 -10.604 -46.491 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -23.669 -10.587 -48.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -24.566 -12.750 -47.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -22.891 -12.866 -47.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -23.511 -12.882 -46.230 1.00 0.00 H new ATOM 300 N ALA A 23 -22.747 -5.936 -46.567 1.00 0.00 N ATOM 301 CA ALA A 23 -22.953 -4.613 -47.143 1.00 0.00 C ATOM 302 C ALA A 23 -23.217 -3.577 -46.056 1.00 0.00 C ATOM 303 O ALA A 23 -22.591 -2.518 -46.029 1.00 0.00 O ATOM 304 CB ALA A 23 -24.104 -4.644 -48.137 1.00 0.00 C ATOM 0 H ALA A 23 -23.343 -6.664 -46.960 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.042 -4.326 -47.668 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -24.247 -3.649 -48.559 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.875 -5.349 -48.937 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -25.016 -4.956 -47.628 1.00 0.00 H new ATOM 310 N ASN A 24 -24.150 -3.889 -45.161 1.00 0.00 N ATOM 311 CA ASN A 24 -24.498 -2.983 -44.073 1.00 0.00 C ATOM 312 C ASN A 24 -23.247 -2.511 -43.337 1.00 0.00 C ATOM 313 O ASN A 24 -22.961 -1.314 -43.281 1.00 0.00 O ATOM 314 CB ASN A 24 -25.451 -3.671 -43.094 1.00 0.00 C ATOM 315 CG ASN A 24 -26.457 -2.709 -42.493 1.00 0.00 C ATOM 316 OD1 ASN A 24 -26.119 -1.577 -42.145 1.00 0.00 O ATOM 317 ND2 ASN A 24 -27.701 -3.156 -42.367 1.00 0.00 N ATOM 0 H ASN A 24 -24.678 -4.762 -45.168 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.995 -2.113 -44.502 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -25.981 -4.472 -43.610 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.873 -4.135 -42.294 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.421 -2.554 -41.968 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -27.936 -4.101 -42.669 1.00 0.00 H new ATOM 324 N LEU A 25 -22.507 -3.459 -42.773 1.00 0.00 N ATOM 325 CA LEU A 25 -21.286 -3.141 -42.041 1.00 0.00 C ATOM 326 C LEU A 25 -20.416 -2.167 -42.828 1.00 0.00 C ATOM 327 O LEU A 25 -19.892 -1.201 -42.275 1.00 0.00 O ATOM 328 CB LEU A 25 -20.499 -4.419 -41.743 1.00 0.00 C ATOM 329 CG LEU A 25 -19.364 -4.287 -40.727 1.00 0.00 C ATOM 330 CD1 LEU A 25 -19.898 -3.796 -39.391 1.00 0.00 C ATOM 331 CD2 LEU A 25 -18.641 -5.616 -40.559 1.00 0.00 C ATOM 0 H LEU A 25 -22.731 -4.454 -42.808 1.00 0.00 H new ATOM 0 HA LEU A 25 -21.569 -2.668 -41.101 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.196 -5.175 -41.383 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.081 -4.791 -42.678 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.651 -3.553 -41.101 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -19.076 -3.708 -38.681 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -20.369 -2.822 -39.523 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -20.633 -4.505 -39.010 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -17.836 -5.503 -39.832 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.344 -6.371 -40.207 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.224 -5.927 -41.517 1.00 0.00 H new ATOM 343 N ASN A 26 -20.268 -2.427 -44.123 1.00 0.00 N ATOM 344 CA ASN A 26 -19.463 -1.572 -44.988 1.00 0.00 C ATOM 345 C ASN A 26 -20.021 -0.152 -45.021 1.00 0.00 C ATOM 346 O ASN A 26 -19.301 0.815 -44.771 1.00 0.00 O ATOM 347 CB ASN A 26 -19.414 -2.146 -46.405 1.00 0.00 C ATOM 348 CG ASN A 26 -18.659 -3.459 -46.472 1.00 0.00 C ATOM 349 OD1 ASN A 26 -17.436 -3.492 -46.332 1.00 0.00 O ATOM 350 ND2 ASN A 26 -19.385 -4.549 -46.686 1.00 0.00 N ATOM 0 H ASN A 26 -20.695 -3.223 -44.597 1.00 0.00 H new ATOM 0 HA ASN A 26 -18.452 -1.537 -44.583 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.431 -2.296 -46.769 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -18.941 -1.424 -47.070 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.932 -5.461 -46.740 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -20.396 -4.475 -46.796 1.00 0.00 H new ATOM 357 N VAL A 27 -21.308 -0.035 -45.330 1.00 0.00 N ATOM 358 CA VAL A 27 -21.964 1.266 -45.394 1.00 0.00 C ATOM 359 C VAL A 27 -21.982 1.939 -44.026 1.00 0.00 C ATOM 360 O VAL A 27 -21.940 3.166 -43.926 1.00 0.00 O ATOM 361 CB VAL A 27 -23.409 1.141 -45.912 1.00 0.00 C ATOM 362 CG1 VAL A 27 -24.377 0.952 -44.754 1.00 0.00 C ATOM 363 CG2 VAL A 27 -23.785 2.361 -46.739 1.00 0.00 C ATOM 0 H VAL A 27 -21.918 -0.825 -45.540 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.389 1.877 -46.089 1.00 0.00 H new ATOM 0 HB VAL A 27 -23.472 0.262 -46.554 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -25.393 0.866 -45.139 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -24.118 0.045 -44.207 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -24.315 1.810 -44.084 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -24.809 2.256 -47.097 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.706 3.257 -46.123 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -23.110 2.446 -47.590 1.00 0.00 H new ATOM 373 N HIS A 28 -22.045 1.129 -42.974 1.00 0.00 N ATOM 374 CA HIS A 28 -22.068 1.647 -41.611 1.00 0.00 C ATOM 375 C HIS A 28 -20.722 2.263 -41.241 1.00 0.00 C ATOM 376 O HIS A 28 -20.661 3.255 -40.513 1.00 0.00 O ATOM 377 CB HIS A 28 -22.420 0.533 -40.625 1.00 0.00 C ATOM 378 CG HIS A 28 -22.283 0.937 -39.190 1.00 0.00 C ATOM 379 ND1 HIS A 28 -23.316 1.487 -38.460 1.00 0.00 N ATOM 380 CD2 HIS A 28 -21.225 0.867 -38.348 1.00 0.00 C ATOM 381 CE1 HIS A 28 -22.899 1.739 -37.232 1.00 0.00 C ATOM 382 NE2 HIS A 28 -21.634 1.372 -37.138 1.00 0.00 N ATOM 0 H HIS A 28 -22.081 0.112 -43.039 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.831 2.424 -41.557 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -23.445 0.209 -40.806 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.776 -0.326 -40.815 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -20.243 0.485 -38.584 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -23.492 2.172 -36.440 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -21.055 1.451 -36.302 1.00 0.00 H new ATOM 390 N LEU A 29 -19.647 1.670 -41.746 1.00 0.00 N ATOM 391 CA LEU A 29 -18.301 2.160 -41.469 1.00 0.00 C ATOM 392 C LEU A 29 -18.027 3.457 -42.223 1.00 0.00 C ATOM 393 O LEU A 29 -17.134 4.222 -41.858 1.00 0.00 O ATOM 394 CB LEU A 29 -17.263 1.104 -41.853 1.00 0.00 C ATOM 395 CG LEU A 29 -17.352 -0.228 -41.107 1.00 0.00 C ATOM 396 CD1 LEU A 29 -16.811 -1.359 -41.967 1.00 0.00 C ATOM 397 CD2 LEU A 29 -16.597 -0.151 -39.788 1.00 0.00 C ATOM 0 H LEU A 29 -19.680 0.849 -42.350 1.00 0.00 H new ATOM 0 HA LEU A 29 -18.227 2.361 -40.400 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.354 0.906 -42.921 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.270 1.523 -41.690 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.401 -0.433 -40.892 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -16.883 -2.299 -41.419 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -17.394 -1.429 -42.885 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -15.768 -1.161 -42.214 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -16.671 -1.107 -39.270 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.549 0.077 -39.982 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -17.030 0.633 -39.166 1.00 0.00 H new ATOM 409 N ARG A 30 -18.803 3.698 -43.275 1.00 0.00 N ATOM 410 CA ARG A 30 -18.644 4.904 -44.080 1.00 0.00 C ATOM 411 C ARG A 30 -18.829 6.155 -43.227 1.00 0.00 C ATOM 412 O ARG A 30 -18.072 7.119 -43.348 1.00 0.00 O ATOM 413 CB ARG A 30 -19.649 4.907 -45.234 1.00 0.00 C ATOM 414 CG ARG A 30 -19.371 3.847 -46.287 1.00 0.00 C ATOM 415 CD ARG A 30 -20.341 3.952 -47.453 1.00 0.00 C ATOM 416 NE ARG A 30 -19.915 3.147 -48.594 1.00 0.00 N ATOM 417 CZ ARG A 30 -19.075 3.581 -49.527 1.00 0.00 C ATOM 418 NH1 ARG A 30 -18.573 4.806 -49.453 1.00 0.00 N ATOM 419 NH2 ARG A 30 -18.734 2.788 -50.535 1.00 0.00 N ATOM 0 H ARG A 30 -19.547 3.075 -43.590 1.00 0.00 H new ATOM 0 HA ARG A 30 -17.633 4.909 -44.487 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -20.651 4.754 -44.832 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -19.642 5.888 -45.708 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.349 3.954 -46.652 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -19.447 2.857 -45.837 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -21.331 3.629 -47.131 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -20.430 4.995 -47.758 1.00 0.00 H new ATOM 0 HE ARG A 30 -20.283 2.199 -48.679 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.832 5.417 -48.678 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.928 5.137 -50.171 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.117 1.844 -50.594 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.089 3.122 -51.251 1.00 0.00 H new ATOM 433 N LYS A 31 -19.839 6.134 -42.364 1.00 0.00 N ATOM 434 CA LYS A 31 -20.123 7.265 -41.490 1.00 0.00 C ATOM 435 C LYS A 31 -18.993 7.475 -40.487 1.00 0.00 C ATOM 436 O LYS A 31 -18.856 8.553 -39.908 1.00 0.00 O ATOM 437 CB LYS A 31 -21.443 7.044 -40.748 1.00 0.00 C ATOM 438 CG LYS A 31 -21.299 6.213 -39.485 1.00 0.00 C ATOM 439 CD LYS A 31 -22.654 5.848 -38.900 1.00 0.00 C ATOM 440 CE LYS A 31 -23.364 4.805 -39.748 1.00 0.00 C ATOM 441 NZ LYS A 31 -24.735 4.519 -39.242 1.00 0.00 N ATOM 0 H LYS A 31 -20.475 5.345 -42.251 1.00 0.00 H new ATOM 0 HA LYS A 31 -20.206 8.158 -42.109 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -21.871 8.012 -40.489 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -22.149 6.553 -41.418 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.741 5.304 -39.708 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -20.721 6.769 -38.747 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -22.524 5.467 -37.887 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -23.273 6.742 -38.827 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -23.423 5.154 -40.779 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.780 3.884 -39.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -25.186 3.803 -39.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.678 4.162 -38.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -25.300 5.392 -39.258 1.00 0.00 H new ATOM 455 N HIS A 32 -18.186 6.438 -40.286 1.00 0.00 N ATOM 456 CA HIS A 32 -17.066 6.510 -39.354 1.00 0.00 C ATOM 457 C HIS A 32 -15.837 7.113 -40.027 1.00 0.00 C ATOM 458 O HIS A 32 -14.705 6.873 -39.606 1.00 0.00 O ATOM 459 CB HIS A 32 -16.735 5.119 -38.813 1.00 0.00 C ATOM 460 CG HIS A 32 -17.695 4.639 -37.768 1.00 0.00 C ATOM 461 ND1 HIS A 32 -17.999 5.364 -36.635 1.00 0.00 N ATOM 462 CD2 HIS A 32 -18.421 3.499 -37.690 1.00 0.00 C ATOM 463 CE1 HIS A 32 -18.870 4.691 -35.905 1.00 0.00 C ATOM 464 NE2 HIS A 32 -19.143 3.556 -36.522 1.00 0.00 N ATOM 0 H HIS A 32 -18.287 5.538 -40.756 1.00 0.00 H new ATOM 0 HA HIS A 32 -17.357 7.154 -38.524 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -16.726 4.409 -39.640 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -15.729 5.131 -38.393 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -18.431 2.695 -38.411 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -19.288 5.014 -34.963 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -19.785 2.838 -36.186 1.00 0.00 H new ATOM 508 N LYS A 36 -9.362 10.658 -37.321 1.00 0.00 N ATOM 509 CA LYS A 36 -9.232 9.452 -36.512 1.00 0.00 C ATOM 510 C LYS A 36 -8.105 9.599 -35.495 1.00 0.00 C ATOM 511 O LYS A 36 -6.927 9.530 -35.844 1.00 0.00 O ATOM 512 CB LYS A 36 -8.971 8.239 -37.407 1.00 0.00 C ATOM 513 CG LYS A 36 -10.185 7.800 -38.207 1.00 0.00 C ATOM 514 CD LYS A 36 -10.139 6.315 -38.523 1.00 0.00 C ATOM 515 CE LYS A 36 -11.536 5.730 -38.657 1.00 0.00 C ATOM 516 NZ LYS A 36 -11.519 4.402 -39.331 1.00 0.00 N ATOM 0 HA LYS A 36 -10.167 9.303 -35.973 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.159 8.474 -38.095 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.634 7.407 -36.788 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.092 8.025 -37.646 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.235 8.369 -39.135 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.587 6.156 -39.449 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.598 5.791 -37.735 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.984 5.630 -37.668 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.165 6.417 -39.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.307 4.346 -40.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.619 4.281 -39.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.619 3.650 -38.619 1.00 0.00 H new ATOM 530 N PHE A 37 -8.475 9.800 -34.234 1.00 0.00 N ATOM 531 CA PHE A 37 -7.494 9.956 -33.166 1.00 0.00 C ATOM 532 C PHE A 37 -7.156 8.607 -32.537 1.00 0.00 C ATOM 533 O PHE A 37 -7.975 8.015 -31.834 1.00 0.00 O ATOM 534 CB PHE A 37 -8.024 10.912 -32.095 1.00 0.00 C ATOM 535 CG PHE A 37 -8.520 12.217 -32.648 1.00 0.00 C ATOM 536 CD1 PHE A 37 -9.820 12.339 -33.110 1.00 0.00 C ATOM 537 CD2 PHE A 37 -7.685 13.321 -32.708 1.00 0.00 C ATOM 538 CE1 PHE A 37 -10.280 13.539 -33.620 1.00 0.00 C ATOM 539 CE2 PHE A 37 -8.139 14.524 -33.216 1.00 0.00 C ATOM 540 CZ PHE A 37 -9.438 14.632 -33.674 1.00 0.00 C ATOM 0 H PHE A 37 -9.446 9.859 -33.927 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.585 10.373 -33.599 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.835 10.425 -31.554 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.232 11.110 -31.373 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.482 11.487 -33.071 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.668 13.241 -32.354 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.296 13.621 -33.976 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.479 15.378 -33.255 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.794 15.570 -34.074 1.00 0.00 H new ATOM 550 N ALA A 38 -5.944 8.128 -32.797 1.00 0.00 N ATOM 551 CA ALA A 38 -5.496 6.850 -32.256 1.00 0.00 C ATOM 552 C ALA A 38 -4.857 7.029 -30.883 1.00 0.00 C ATOM 553 O ALA A 38 -4.368 8.109 -30.550 1.00 0.00 O ATOM 554 CB ALA A 38 -4.518 6.186 -33.214 1.00 0.00 C ATOM 0 H ALA A 38 -5.255 8.605 -33.378 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.368 6.206 -32.140 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.191 5.233 -32.798 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.007 6.015 -34.173 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.654 6.834 -33.359 1.00 0.00 H new ATOM 560 N CYS A 39 -4.863 5.963 -30.090 1.00 0.00 N ATOM 561 CA CYS A 39 -4.285 6.002 -28.752 1.00 0.00 C ATOM 562 C CYS A 39 -2.774 5.798 -28.806 1.00 0.00 C ATOM 563 O CYS A 39 -2.278 4.954 -29.553 1.00 0.00 O ATOM 564 CB CYS A 39 -4.924 4.931 -27.866 1.00 0.00 C ATOM 565 SG CYS A 39 -4.230 4.846 -26.184 1.00 0.00 S ATOM 0 H CYS A 39 -5.262 5.061 -30.351 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.486 6.985 -28.325 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.995 5.124 -27.796 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.805 3.960 -28.346 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.915 3.999 -25.474 1.00 0.00 H new ATOM 570 N ASP A 40 -2.048 6.575 -28.011 1.00 0.00 N ATOM 571 CA ASP A 40 -0.593 6.479 -27.967 1.00 0.00 C ATOM 572 C ASP A 40 -0.149 5.423 -26.960 1.00 0.00 C ATOM 573 O ASP A 40 0.975 5.464 -26.458 1.00 0.00 O ATOM 574 CB ASP A 40 0.018 7.834 -27.607 1.00 0.00 C ATOM 575 CG ASP A 40 1.421 8.000 -28.156 1.00 0.00 C ATOM 576 OD1 ASP A 40 1.696 7.472 -29.254 1.00 0.00 O ATOM 577 OD2 ASP A 40 2.245 8.659 -27.487 1.00 0.00 O ATOM 0 H ASP A 40 -2.443 7.279 -27.388 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.243 6.183 -28.956 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.617 8.630 -27.995 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.040 7.943 -26.523 1.00 0.00 H new ATOM 582 N TYR A 41 -1.038 4.480 -26.668 1.00 0.00 N ATOM 583 CA TYR A 41 -0.738 3.416 -25.718 1.00 0.00 C ATOM 584 C TYR A 41 -1.087 2.050 -26.302 1.00 0.00 C ATOM 585 O TYR A 41 -0.390 1.063 -26.064 1.00 0.00 O ATOM 586 CB TYR A 41 -1.507 3.636 -24.414 1.00 0.00 C ATOM 587 CG TYR A 41 -1.183 4.947 -23.734 1.00 0.00 C ATOM 588 CD1 TYR A 41 -1.411 6.159 -24.374 1.00 0.00 C ATOM 589 CD2 TYR A 41 -0.650 4.974 -22.451 1.00 0.00 C ATOM 590 CE1 TYR A 41 -1.116 7.359 -23.757 1.00 0.00 C ATOM 591 CE2 TYR A 41 -0.353 6.170 -21.826 1.00 0.00 C ATOM 592 CZ TYR A 41 -0.587 7.359 -22.483 1.00 0.00 C ATOM 593 OH TYR A 41 -0.293 8.553 -21.864 1.00 0.00 O ATOM 0 H TYR A 41 -1.972 4.431 -27.076 1.00 0.00 H new ATOM 0 HA TYR A 41 0.332 3.440 -25.510 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.576 3.599 -24.622 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.287 2.817 -23.729 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.826 6.163 -25.371 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.465 4.044 -21.934 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.298 8.292 -24.269 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.060 6.173 -20.828 1.00 0.00 H new ATOM 0 HH TYR A 41 0.071 8.378 -20.971 1.00 0.00 H new ATOM 603 N CYS A 42 -2.171 2.002 -27.070 1.00 0.00 N ATOM 604 CA CYS A 42 -2.614 0.759 -27.690 1.00 0.00 C ATOM 605 C CYS A 42 -3.164 1.016 -29.090 1.00 0.00 C ATOM 606 O CYS A 42 -3.111 2.138 -29.592 1.00 0.00 O ATOM 607 CB CYS A 42 -3.682 0.086 -26.825 1.00 0.00 C ATOM 608 SG CYS A 42 -5.227 1.041 -26.675 1.00 0.00 S ATOM 0 H CYS A 42 -2.758 2.810 -27.278 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.753 0.096 -27.773 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.912 -0.893 -27.246 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.274 -0.083 -25.829 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.945 2.302 -26.532 1.00 0.00 H new ATOM 613 N SER A 43 -3.693 -0.032 -29.713 1.00 0.00 N ATOM 614 CA SER A 43 -4.250 0.079 -31.056 1.00 0.00 C ATOM 615 C SER A 43 -5.679 0.610 -31.009 1.00 0.00 C ATOM 616 O SER A 43 -6.532 0.203 -31.799 1.00 0.00 O ATOM 617 CB SER A 43 -4.222 -1.281 -31.756 1.00 0.00 C ATOM 618 OG SER A 43 -4.494 -1.148 -33.141 1.00 0.00 O ATOM 0 H SER A 43 -3.748 -0.967 -29.309 1.00 0.00 H new ATOM 0 HA SER A 43 -3.638 0.783 -31.620 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.246 -1.745 -31.617 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.958 -1.943 -31.300 1.00 0.00 H new ATOM 0 HG SER A 43 -5.323 -0.640 -33.264 1.00 0.00 H new ATOM 624 N PHE A 44 -5.934 1.523 -30.077 1.00 0.00 N ATOM 625 CA PHE A 44 -7.260 2.110 -29.925 1.00 0.00 C ATOM 626 C PHE A 44 -7.419 3.333 -30.825 1.00 0.00 C ATOM 627 O PHE A 44 -6.444 4.012 -31.148 1.00 0.00 O ATOM 628 CB PHE A 44 -7.503 2.501 -28.466 1.00 0.00 C ATOM 629 CG PHE A 44 -8.757 3.303 -28.262 1.00 0.00 C ATOM 630 CD1 PHE A 44 -8.754 4.677 -28.445 1.00 0.00 C ATOM 631 CD2 PHE A 44 -9.938 2.684 -27.885 1.00 0.00 C ATOM 632 CE1 PHE A 44 -9.906 5.418 -28.258 1.00 0.00 C ATOM 633 CE2 PHE A 44 -11.093 3.419 -27.697 1.00 0.00 C ATOM 634 CZ PHE A 44 -11.076 4.788 -27.883 1.00 0.00 C ATOM 0 H PHE A 44 -5.240 1.872 -29.416 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.997 1.364 -30.221 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.557 1.597 -27.860 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.650 3.076 -28.105 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.841 5.174 -28.737 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.956 1.614 -27.736 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.891 6.488 -28.405 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -12.008 2.924 -27.405 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.977 5.365 -27.735 1.00 0.00 H new ATOM 644 N THR A 45 -8.656 3.607 -31.227 1.00 0.00 N ATOM 645 CA THR A 45 -8.945 4.745 -32.090 1.00 0.00 C ATOM 646 C THR A 45 -10.317 5.334 -31.784 1.00 0.00 C ATOM 647 O THR A 45 -11.211 4.633 -31.308 1.00 0.00 O ATOM 648 CB THR A 45 -8.889 4.351 -33.578 1.00 0.00 C ATOM 649 OG1 THR A 45 -9.600 3.126 -33.787 1.00 0.00 O ATOM 650 CG2 THR A 45 -7.448 4.192 -34.042 1.00 0.00 C ATOM 0 H THR A 45 -9.474 3.056 -30.968 1.00 0.00 H new ATOM 0 HA THR A 45 -8.179 5.494 -31.891 1.00 0.00 H new ATOM 0 HB THR A 45 -9.356 5.146 -34.160 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.561 2.883 -34.736 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.434 3.914 -35.096 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.917 5.134 -33.908 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.960 3.414 -33.455 1.00 0.00 H new ATOM 658 N CYS A 46 -10.478 6.623 -32.059 1.00 0.00 N ATOM 659 CA CYS A 46 -11.743 7.306 -31.813 1.00 0.00 C ATOM 660 C CYS A 46 -11.919 8.485 -32.765 1.00 0.00 C ATOM 661 O CYS A 46 -10.944 9.023 -33.291 1.00 0.00 O ATOM 662 CB CYS A 46 -11.810 7.791 -30.364 1.00 0.00 C ATOM 663 SG CYS A 46 -13.483 7.838 -29.679 1.00 0.00 S ATOM 0 H CYS A 46 -9.748 7.217 -32.453 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.551 6.596 -31.990 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.193 7.139 -29.745 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.377 8.789 -30.306 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.433 7.626 -28.397 1.00 0.00 H new ATOM 669 N LEU A 47 -13.168 8.880 -32.984 1.00 0.00 N ATOM 670 CA LEU A 47 -13.473 9.994 -33.874 1.00 0.00 C ATOM 671 C LEU A 47 -13.505 11.312 -33.107 1.00 0.00 C ATOM 672 O LEU A 47 -13.243 12.376 -33.668 1.00 0.00 O ATOM 673 CB LEU A 47 -14.816 9.764 -34.570 1.00 0.00 C ATOM 674 CG LEU A 47 -14.925 8.493 -35.414 1.00 0.00 C ATOM 675 CD1 LEU A 47 -16.361 8.272 -35.862 1.00 0.00 C ATOM 676 CD2 LEU A 47 -13.995 8.571 -36.617 1.00 0.00 C ATOM 0 H LEU A 47 -13.986 8.445 -32.557 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.686 10.051 -34.626 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.597 9.740 -33.810 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.022 10.621 -35.211 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.623 7.644 -34.800 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -16.419 7.363 -36.461 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.004 8.172 -34.987 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.691 9.122 -36.459 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.085 7.659 -37.206 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.267 9.429 -37.232 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.966 8.682 -36.275 1.00 0.00 H new ATOM 688 N SER A 48 -13.826 11.233 -31.819 1.00 0.00 N ATOM 689 CA SER A 48 -13.894 12.420 -30.975 1.00 0.00 C ATOM 690 C SER A 48 -12.629 12.561 -30.134 1.00 0.00 C ATOM 691 O SER A 48 -12.471 11.894 -29.110 1.00 0.00 O ATOM 692 CB SER A 48 -15.121 12.354 -30.063 1.00 0.00 C ATOM 693 OG SER A 48 -16.319 12.380 -30.819 1.00 0.00 O ATOM 0 H SER A 48 -14.043 10.360 -31.338 1.00 0.00 H new ATOM 0 HA SER A 48 -13.978 13.292 -31.623 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.085 11.444 -29.464 1.00 0.00 H new ATOM 0 HB3 SER A 48 -15.107 13.194 -29.368 1.00 0.00 H new ATOM 0 HG SER A 48 -17.089 12.335 -30.214 1.00 0.00 H new ATOM 699 N LYS A 49 -11.728 13.434 -30.572 1.00 0.00 N ATOM 700 CA LYS A 49 -10.476 13.665 -29.862 1.00 0.00 C ATOM 701 C LYS A 49 -10.698 13.655 -28.352 1.00 0.00 C ATOM 702 O LYS A 49 -9.976 12.986 -27.614 1.00 0.00 O ATOM 703 CB LYS A 49 -9.863 15.001 -30.289 1.00 0.00 C ATOM 704 CG LYS A 49 -10.893 16.077 -30.582 1.00 0.00 C ATOM 705 CD LYS A 49 -10.233 17.398 -30.940 1.00 0.00 C ATOM 706 CE LYS A 49 -10.011 17.522 -32.440 1.00 0.00 C ATOM 707 NZ LYS A 49 -9.739 18.929 -32.846 1.00 0.00 N ATOM 0 H LYS A 49 -11.842 13.994 -31.417 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.788 12.859 -30.116 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.196 15.353 -29.502 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.252 14.843 -31.178 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.533 15.755 -31.403 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.535 16.214 -29.712 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.856 18.223 -30.594 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.278 17.481 -30.422 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.174 16.890 -32.737 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.891 17.155 -32.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.593 18.971 -33.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.548 19.528 -32.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.885 19.271 -32.361 1.00 0.00 H new ATOM 721 N GLY A 50 -11.702 14.400 -27.901 1.00 0.00 N ATOM 722 CA GLY A 50 -12.001 14.461 -26.482 1.00 0.00 C ATOM 723 C GLY A 50 -12.200 13.088 -25.872 1.00 0.00 C ATOM 724 O GLY A 50 -11.691 12.803 -24.787 1.00 0.00 O ATOM 0 H GLY A 50 -12.314 14.962 -28.493 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.189 14.971 -25.964 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.901 15.057 -26.329 1.00 0.00 H new ATOM 728 N HIS A 51 -12.943 12.234 -26.569 1.00 0.00 N ATOM 729 CA HIS A 51 -13.209 10.883 -26.088 1.00 0.00 C ATOM 730 C HIS A 51 -11.911 10.095 -25.936 1.00 0.00 C ATOM 731 O HIS A 51 -11.741 9.338 -24.979 1.00 0.00 O ATOM 732 CB HIS A 51 -14.151 10.154 -27.047 1.00 0.00 C ATOM 733 CG HIS A 51 -14.974 9.092 -26.385 1.00 0.00 C ATOM 734 ND1 HIS A 51 -15.663 8.126 -27.089 1.00 0.00 N ATOM 735 CD2 HIS A 51 -15.215 8.845 -25.077 1.00 0.00 C ATOM 736 CE1 HIS A 51 -16.293 7.333 -26.242 1.00 0.00 C ATOM 737 NE2 HIS A 51 -16.038 7.747 -25.014 1.00 0.00 N ATOM 0 H HIS A 51 -13.371 12.454 -27.468 1.00 0.00 H new ATOM 0 HA HIS A 51 -13.685 10.959 -25.110 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -14.817 10.881 -27.512 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.564 9.702 -27.846 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -15.683 8.038 -28.105 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -14.832 9.407 -24.238 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.912 6.489 -26.508 1.00 0.00 H new ATOM 745 N LEU A 52 -10.999 10.278 -26.884 1.00 0.00 N ATOM 746 CA LEU A 52 -9.716 9.584 -26.856 1.00 0.00 C ATOM 747 C LEU A 52 -8.996 9.824 -25.533 1.00 0.00 C ATOM 748 O LEU A 52 -8.468 8.894 -24.923 1.00 0.00 O ATOM 749 CB LEU A 52 -8.837 10.048 -28.019 1.00 0.00 C ATOM 750 CG LEU A 52 -7.349 9.715 -27.910 1.00 0.00 C ATOM 751 CD1 LEU A 52 -7.136 8.209 -27.930 1.00 0.00 C ATOM 752 CD2 LEU A 52 -6.569 10.381 -29.034 1.00 0.00 C ATOM 0 H LEU A 52 -11.124 10.901 -27.682 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.907 8.516 -26.956 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.221 9.605 -28.938 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.941 11.129 -28.118 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.979 10.101 -26.960 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.071 7.991 -27.852 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.662 7.756 -27.090 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.522 7.799 -28.863 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.512 10.133 -28.940 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.941 10.026 -29.995 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.695 11.462 -28.973 1.00 0.00 H new ATOM 764 N LYS A 53 -8.981 11.078 -25.092 1.00 0.00 N ATOM 765 CA LYS A 53 -8.330 11.441 -23.839 1.00 0.00 C ATOM 766 C LYS A 53 -8.893 10.628 -22.678 1.00 0.00 C ATOM 767 O LYS A 53 -8.162 10.242 -21.765 1.00 0.00 O ATOM 768 CB LYS A 53 -8.507 12.936 -23.563 1.00 0.00 C ATOM 769 CG LYS A 53 -9.673 13.250 -22.642 1.00 0.00 C ATOM 770 CD LYS A 53 -10.250 14.627 -22.922 1.00 0.00 C ATOM 771 CE LYS A 53 -11.535 14.862 -22.143 1.00 0.00 C ATOM 772 NZ LYS A 53 -11.267 15.378 -20.772 1.00 0.00 N ATOM 0 H LYS A 53 -9.413 11.860 -25.584 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.267 11.219 -23.933 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.590 13.326 -23.121 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.652 13.457 -24.509 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.450 12.496 -22.768 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.343 13.197 -21.605 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.518 15.390 -22.657 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.446 14.730 -23.989 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.162 15.572 -22.682 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.095 13.929 -22.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.168 15.525 -20.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.690 14.689 -20.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.755 16.281 -20.835 1.00 0.00 H new ATOM 786 N VAL A 54 -10.196 10.370 -22.719 1.00 0.00 N ATOM 787 CA VAL A 54 -10.856 9.601 -21.671 1.00 0.00 C ATOM 788 C VAL A 54 -10.377 8.154 -21.667 1.00 0.00 C ATOM 789 O VAL A 54 -10.098 7.584 -20.611 1.00 0.00 O ATOM 790 CB VAL A 54 -12.387 9.623 -21.839 1.00 0.00 C ATOM 791 CG1 VAL A 54 -13.056 8.795 -20.751 1.00 0.00 C ATOM 792 CG2 VAL A 54 -12.904 11.054 -21.824 1.00 0.00 C ATOM 0 H VAL A 54 -10.816 10.682 -23.467 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.595 10.070 -20.722 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.635 9.181 -22.804 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.137 8.822 -20.886 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.709 7.764 -20.813 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.802 9.205 -19.774 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.987 11.051 -21.944 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.645 11.524 -20.875 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.450 11.613 -22.642 1.00 0.00 H new ATOM 802 N HIS A 55 -10.283 7.564 -22.854 1.00 0.00 N ATOM 803 CA HIS A 55 -9.836 6.182 -22.988 1.00 0.00 C ATOM 804 C HIS A 55 -8.513 5.966 -22.259 1.00 0.00 C ATOM 805 O HIS A 55 -8.305 4.931 -21.626 1.00 0.00 O ATOM 806 CB HIS A 55 -9.684 5.814 -24.464 1.00 0.00 C ATOM 807 CG HIS A 55 -8.786 4.639 -24.699 1.00 0.00 C ATOM 808 ND1 HIS A 55 -9.226 3.333 -24.649 1.00 0.00 N ATOM 809 CD2 HIS A 55 -7.465 4.578 -24.988 1.00 0.00 C ATOM 810 CE1 HIS A 55 -8.215 2.520 -24.896 1.00 0.00 C ATOM 811 NE2 HIS A 55 -7.134 3.250 -25.105 1.00 0.00 N ATOM 0 H HIS A 55 -10.510 8.021 -23.737 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.589 5.537 -22.536 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.668 5.597 -24.879 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.292 6.675 -25.006 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -10.183 3.041 -24.452 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.796 5.417 -25.105 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.264 1.441 -24.923 1.00 0.00 H new ATOM 819 N ILE A 56 -7.624 6.948 -22.353 1.00 0.00 N ATOM 820 CA ILE A 56 -6.322 6.865 -21.703 1.00 0.00 C ATOM 821 C ILE A 56 -6.430 7.182 -20.215 1.00 0.00 C ATOM 822 O ILE A 56 -5.688 6.636 -19.399 1.00 0.00 O ATOM 823 CB ILE A 56 -5.307 7.827 -22.349 1.00 0.00 C ATOM 824 CG1 ILE A 56 -5.056 7.434 -23.806 1.00 0.00 C ATOM 825 CG2 ILE A 56 -4.005 7.828 -21.563 1.00 0.00 C ATOM 826 CD1 ILE A 56 -4.588 8.585 -24.669 1.00 0.00 C ATOM 0 H ILE A 56 -7.781 7.811 -22.873 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.971 5.841 -21.830 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.721 8.835 -22.330 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.310 6.640 -23.837 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.974 7.024 -24.227 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.298 8.512 -22.032 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.198 8.150 -20.540 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.585 6.822 -21.554 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.430 8.234 -25.689 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.344 9.371 -24.669 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.653 8.981 -24.272 1.00 0.00 H new ATOM 838 N GLU A 57 -7.361 8.066 -19.870 1.00 0.00 N ATOM 839 CA GLU A 57 -7.567 8.454 -18.479 1.00 0.00 C ATOM 840 C GLU A 57 -8.390 7.405 -17.738 1.00 0.00 C ATOM 841 O GLU A 57 -8.512 7.448 -16.513 1.00 0.00 O ATOM 842 CB GLU A 57 -8.265 9.814 -18.404 1.00 0.00 C ATOM 843 CG GLU A 57 -7.520 10.921 -19.131 1.00 0.00 C ATOM 844 CD GLU A 57 -6.551 11.661 -18.230 1.00 0.00 C ATOM 845 OE1 GLU A 57 -6.763 11.655 -16.999 1.00 0.00 O ATOM 846 OE2 GLU A 57 -5.582 12.248 -18.755 1.00 0.00 O ATOM 0 H GLU A 57 -7.984 8.527 -20.534 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.591 8.528 -18.000 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.266 9.723 -18.826 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.385 10.094 -17.358 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.974 10.495 -19.973 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.240 11.628 -19.543 1.00 0.00 H new ATOM 853 N ARG A 58 -8.954 6.465 -18.489 1.00 0.00 N ATOM 854 CA ARG A 58 -9.768 5.406 -17.904 1.00 0.00 C ATOM 855 C ARG A 58 -9.085 4.050 -18.052 1.00 0.00 C ATOM 856 O ARG A 58 -9.127 3.219 -17.145 1.00 0.00 O ATOM 857 CB ARG A 58 -11.147 5.369 -18.565 1.00 0.00 C ATOM 858 CG ARG A 58 -11.193 4.533 -19.833 1.00 0.00 C ATOM 859 CD ARG A 58 -12.464 4.793 -20.627 1.00 0.00 C ATOM 860 NE ARG A 58 -13.594 4.021 -20.118 1.00 0.00 N ATOM 861 CZ ARG A 58 -14.863 4.347 -20.333 1.00 0.00 C ATOM 862 NH1 ARG A 58 -15.163 5.426 -21.044 1.00 0.00 N ATOM 863 NH2 ARG A 58 -15.837 3.593 -19.838 1.00 0.00 N ATOM 0 H ARG A 58 -8.862 6.415 -19.504 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.887 5.619 -16.842 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.871 4.973 -17.853 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.455 6.388 -18.800 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.324 4.759 -20.451 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.134 3.476 -19.575 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.704 5.856 -20.589 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.295 4.542 -21.674 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.398 3.185 -19.567 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.418 6.008 -21.427 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.139 5.674 -21.208 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.611 2.762 -19.292 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.811 3.845 -20.004 1.00 0.00 H new ATOM 877 N VAL A 59 -8.456 3.833 -19.203 1.00 0.00 N ATOM 878 CA VAL A 59 -7.763 2.578 -19.471 1.00 0.00 C ATOM 879 C VAL A 59 -6.321 2.632 -18.980 1.00 0.00 C ATOM 880 O VAL A 59 -5.946 1.927 -18.042 1.00 0.00 O ATOM 881 CB VAL A 59 -7.770 2.243 -20.974 1.00 0.00 C ATOM 882 CG1 VAL A 59 -7.043 0.932 -21.232 1.00 0.00 C ATOM 883 CG2 VAL A 59 -9.197 2.183 -21.499 1.00 0.00 C ATOM 0 H VAL A 59 -8.412 4.510 -19.965 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.299 1.798 -18.930 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.243 3.034 -21.508 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.058 0.712 -22.299 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.010 1.016 -20.893 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.539 0.128 -20.688 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.184 1.945 -22.563 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.750 1.413 -20.962 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.681 3.148 -21.349 1.00 0.00 H new ATOM 893 N HIS A 60 -5.514 3.473 -19.620 1.00 0.00 N ATOM 894 CA HIS A 60 -4.112 3.620 -19.248 1.00 0.00 C ATOM 895 C HIS A 60 -3.945 4.680 -18.163 1.00 0.00 C ATOM 896 O HIS A 60 -2.997 5.464 -18.187 1.00 0.00 O ATOM 897 CB HIS A 60 -3.273 3.989 -20.472 1.00 0.00 C ATOM 898 CG HIS A 60 -3.581 3.160 -21.681 1.00 0.00 C ATOM 899 ND1 HIS A 60 -3.027 1.917 -21.902 1.00 0.00 N ATOM 900 CD2 HIS A 60 -4.391 3.402 -22.737 1.00 0.00 C ATOM 901 CE1 HIS A 60 -3.482 1.431 -23.042 1.00 0.00 C ATOM 902 NE2 HIS A 60 -4.312 2.313 -23.569 1.00 0.00 N ATOM 0 H HIS A 60 -5.808 4.063 -20.399 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.765 2.665 -18.854 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.436 5.040 -20.711 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.217 3.879 -20.225 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.989 4.287 -22.896 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.220 0.475 -23.471 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.813 2.203 -24.451 1.00 0.00 H new ATOM 910 N LYS A 61 -4.874 4.698 -17.213 1.00 0.00 N ATOM 911 CA LYS A 61 -4.831 5.661 -16.119 1.00 0.00 C ATOM 912 C LYS A 61 -3.854 5.212 -15.037 1.00 0.00 C ATOM 913 O LYS A 61 -3.987 4.123 -14.479 1.00 0.00 O ATOM 914 CB LYS A 61 -6.227 5.843 -15.518 1.00 0.00 C ATOM 915 CG LYS A 61 -6.380 7.123 -14.714 1.00 0.00 C ATOM 916 CD LYS A 61 -5.789 6.980 -13.321 1.00 0.00 C ATOM 917 CE LYS A 61 -6.672 6.123 -12.426 1.00 0.00 C ATOM 918 NZ LYS A 61 -5.936 5.630 -11.229 1.00 0.00 N ATOM 0 H LYS A 61 -5.666 4.056 -17.179 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.488 6.615 -16.520 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.963 5.838 -16.322 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.451 4.991 -14.876 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.888 7.943 -15.237 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.436 7.382 -14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.797 6.534 -13.390 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.665 7.966 -12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.537 6.704 -12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.050 5.274 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.572 5.050 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.125 5.055 -11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.597 6.440 -10.672 1.00 0.00 H new ATOM 995 N GLN A 65 5.437 3.559 -16.267 1.00 0.00 N ATOM 996 CA GLN A 65 6.346 3.539 -17.408 1.00 0.00 C ATOM 997 C GLN A 65 7.518 2.597 -17.153 1.00 0.00 C ATOM 998 O GLN A 65 8.346 2.841 -16.275 1.00 0.00 O ATOM 999 CB GLN A 65 6.864 4.949 -17.698 1.00 0.00 C ATOM 1000 CG GLN A 65 5.778 5.917 -18.139 1.00 0.00 C ATOM 1001 CD GLN A 65 5.032 5.436 -19.369 1.00 0.00 C ATOM 1002 OE1 GLN A 65 4.073 4.670 -19.267 1.00 0.00 O ATOM 1003 NE2 GLN A 65 5.469 5.884 -20.540 1.00 0.00 N ATOM 0 HA GLN A 65 5.794 3.176 -18.275 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.347 5.341 -16.803 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.627 4.894 -18.474 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.070 6.060 -17.322 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.225 6.889 -18.347 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.267 6.518 -20.578 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.006 5.595 -21.402 1.00 0.00 H new ATOM 1012 N HIS A 66 7.582 1.518 -17.928 1.00 0.00 N ATOM 1013 CA HIS A 66 8.654 0.538 -17.786 1.00 0.00 C ATOM 1014 C HIS A 66 9.647 0.649 -18.940 1.00 0.00 C ATOM 1015 O HIS A 66 9.325 0.325 -20.083 1.00 0.00 O ATOM 1016 CB HIS A 66 8.076 -0.876 -17.730 1.00 0.00 C ATOM 1017 CG HIS A 66 7.367 -1.284 -18.984 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.121 -0.808 -19.334 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.737 -2.128 -19.976 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.755 -1.342 -20.485 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.719 -2.147 -20.896 1.00 0.00 N ATOM 0 H HIS A 66 6.905 1.300 -18.660 1.00 0.00 H new ATOM 0 HA HIS A 66 9.181 0.744 -16.855 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.883 -1.582 -17.533 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.382 -0.943 -16.892 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.662 -2.683 -20.033 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.826 -1.153 -21.002 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.708 -2.694 -21.757 1.00 0.00 H new ATOM 1029 N CYS A 67 10.855 1.109 -18.632 1.00 0.00 N ATOM 1030 CA CYS A 67 11.895 1.264 -19.642 1.00 0.00 C ATOM 1031 C CYS A 67 12.098 -0.034 -20.417 1.00 0.00 C ATOM 1032 O CYS A 67 12.552 -1.035 -19.863 1.00 0.00 O ATOM 1033 CB CYS A 67 13.210 1.692 -18.988 1.00 0.00 C ATOM 1034 SG CYS A 67 14.286 2.691 -20.065 1.00 0.00 S ATOM 0 H CYS A 67 11.138 1.381 -17.691 1.00 0.00 H new ATOM 0 HA CYS A 67 11.576 2.037 -20.341 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.986 2.262 -18.087 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.754 0.801 -18.675 1.00 0.00 H new ATOM 0 HG CYS A 67 13.597 3.663 -20.585 1.00 0.00 H new ATOM 1039 N ARG A 68 11.758 -0.009 -21.702 1.00 0.00 N ATOM 1040 CA ARG A 68 11.901 -1.183 -22.553 1.00 0.00 C ATOM 1041 C ARG A 68 13.374 -1.497 -22.803 1.00 0.00 C ATOM 1042 O ARG A 68 13.706 -2.484 -23.459 1.00 0.00 O ATOM 1043 CB ARG A 68 11.183 -0.964 -23.886 1.00 0.00 C ATOM 1044 CG ARG A 68 12.007 -0.191 -24.902 1.00 0.00 C ATOM 1045 CD ARG A 68 12.127 1.276 -24.522 1.00 0.00 C ATOM 1046 NE ARG A 68 10.836 1.959 -24.559 1.00 0.00 N ATOM 1047 CZ ARG A 68 10.465 2.878 -23.674 1.00 0.00 C ATOM 1048 NH1 ARG A 68 11.282 3.222 -22.689 1.00 0.00 N ATOM 1049 NH2 ARG A 68 9.274 3.454 -23.775 1.00 0.00 N ATOM 0 H ARG A 68 11.382 0.812 -22.176 1.00 0.00 H new ATOM 0 HA ARG A 68 11.448 -2.031 -22.039 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.916 -1.933 -24.309 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.251 -0.428 -23.703 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.001 -0.631 -24.976 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.546 -0.276 -25.886 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.552 1.358 -23.521 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.819 1.771 -25.203 1.00 0.00 H new ATOM 0 HE ARG A 68 10.184 1.717 -25.305 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.198 2.781 -22.609 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.995 3.928 -22.011 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.643 3.191 -24.532 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.989 4.159 -23.095 1.00 0.00 H new ATOM 1063 N PHE A 69 14.251 -0.651 -22.274 1.00 0.00 N ATOM 1064 CA PHE A 69 15.688 -0.837 -22.441 1.00 0.00 C ATOM 1065 C PHE A 69 16.277 -1.606 -21.262 1.00 0.00 C ATOM 1066 O PHE A 69 16.769 -2.724 -21.419 1.00 0.00 O ATOM 1067 CB PHE A 69 16.386 0.518 -22.580 1.00 0.00 C ATOM 1068 CG PHE A 69 15.922 1.312 -23.767 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.249 0.915 -25.054 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.158 2.455 -23.597 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.823 1.644 -26.148 1.00 0.00 C ATOM 1072 CE2 PHE A 69 14.729 3.189 -24.687 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.062 2.782 -25.965 1.00 0.00 C ATOM 0 H PHE A 69 13.992 0.170 -21.726 1.00 0.00 H new ATOM 0 HA PHE A 69 15.851 -1.417 -23.349 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.216 1.100 -21.674 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.461 0.358 -22.658 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.843 0.026 -25.204 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.894 2.777 -22.600 1.00 0.00 H new ATOM 0 HE1 PHE A 69 16.085 1.324 -27.146 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.135 4.079 -24.540 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.728 3.353 -26.819 1.00 0.00 H new ATOM 1083 N CYS A 70 16.224 -0.999 -20.081 1.00 0.00 N ATOM 1084 CA CYS A 70 16.752 -1.624 -18.874 1.00 0.00 C ATOM 1085 C CYS A 70 15.621 -2.144 -17.991 1.00 0.00 C ATOM 1086 O CYS A 70 15.774 -2.269 -16.776 1.00 0.00 O ATOM 1087 CB CYS A 70 17.608 -0.627 -18.091 1.00 0.00 C ATOM 1088 SG CYS A 70 16.724 0.888 -17.600 1.00 0.00 S ATOM 0 H CYS A 70 15.820 -0.074 -19.934 1.00 0.00 H new ATOM 0 HA CYS A 70 17.373 -2.468 -19.174 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.991 -1.118 -17.196 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.471 -0.351 -18.697 1.00 0.00 H new ATOM 0 HG CYS A 70 17.531 1.667 -16.943 1.00 0.00 H new ATOM 1093 N LYS A 71 14.485 -2.445 -18.611 1.00 0.00 N ATOM 1094 CA LYS A 71 13.328 -2.953 -17.884 1.00 0.00 C ATOM 1095 C LYS A 71 13.215 -2.295 -16.512 1.00 0.00 C ATOM 1096 O LYS A 71 12.990 -2.967 -15.506 1.00 0.00 O ATOM 1097 CB LYS A 71 13.425 -4.472 -17.726 1.00 0.00 C ATOM 1098 CG LYS A 71 13.179 -5.234 -19.016 1.00 0.00 C ATOM 1099 CD LYS A 71 11.713 -5.603 -19.175 1.00 0.00 C ATOM 1100 CE LYS A 71 10.978 -4.600 -20.052 1.00 0.00 C ATOM 1101 NZ LYS A 71 11.189 -4.871 -21.501 1.00 0.00 N ATOM 0 H LYS A 71 14.341 -2.346 -19.616 1.00 0.00 H new ATOM 0 HA LYS A 71 12.434 -2.710 -18.459 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.414 -4.727 -17.346 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.703 -4.798 -16.978 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.496 -4.627 -19.864 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.786 -6.139 -19.026 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.632 -6.598 -19.612 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.239 -5.647 -18.194 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.912 -4.634 -19.828 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.321 -3.592 -19.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.672 -4.166 -22.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.204 -4.814 -21.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.838 -5.823 -21.731 1.00 0.00 H new ATOM 1115 N LYS A 72 13.372 -0.976 -16.479 1.00 0.00 N ATOM 1116 CA LYS A 72 13.286 -0.225 -15.232 1.00 0.00 C ATOM 1117 C LYS A 72 11.875 0.313 -15.017 1.00 0.00 C ATOM 1118 O LYS A 72 11.182 0.666 -15.972 1.00 0.00 O ATOM 1119 CB LYS A 72 14.289 0.931 -15.238 1.00 0.00 C ATOM 1120 CG LYS A 72 14.379 1.664 -13.911 1.00 0.00 C ATOM 1121 CD LYS A 72 15.742 2.308 -13.721 1.00 0.00 C ATOM 1122 CE LYS A 72 16.770 1.301 -13.228 1.00 0.00 C ATOM 1123 NZ LYS A 72 16.494 0.865 -11.831 1.00 0.00 N ATOM 0 H LYS A 72 13.560 -0.404 -17.303 1.00 0.00 H new ATOM 0 HA LYS A 72 13.527 -0.902 -14.412 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.275 0.545 -15.498 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.009 1.640 -16.017 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.604 2.429 -13.864 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.188 0.967 -13.095 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.077 2.739 -14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.662 3.127 -13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.772 0.432 -13.886 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.765 1.743 -13.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.359 0.465 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.184 1.682 -11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.746 0.143 -11.834 1.00 0.00 H new ATOM 1137 N LYS A 73 11.455 0.375 -13.758 1.00 0.00 N ATOM 1138 CA LYS A 73 10.128 0.873 -13.417 1.00 0.00 C ATOM 1139 C LYS A 73 10.171 2.364 -13.100 1.00 0.00 C ATOM 1140 O LYS A 73 10.967 2.810 -12.274 1.00 0.00 O ATOM 1141 CB LYS A 73 9.564 0.103 -12.221 1.00 0.00 C ATOM 1142 CG LYS A 73 8.803 -1.153 -12.610 1.00 0.00 C ATOM 1143 CD LYS A 73 8.519 -2.030 -11.402 1.00 0.00 C ATOM 1144 CE LYS A 73 7.373 -1.477 -10.569 1.00 0.00 C ATOM 1145 NZ LYS A 73 7.268 -2.158 -9.249 1.00 0.00 N ATOM 0 H LYS A 73 12.015 0.086 -12.956 1.00 0.00 H new ATOM 0 HA LYS A 73 9.478 0.721 -14.279 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.384 -0.170 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.901 0.759 -11.657 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.864 -0.877 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.380 -1.717 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.275 -3.040 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.415 -2.104 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.519 -0.408 -10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.437 -1.596 -11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.475 -1.753 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.104 -3.175 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.152 -2.023 -8.717 1.00 0.00 H new ATOM 1159 N TYR A 74 9.310 3.130 -13.761 1.00 0.00 N ATOM 1160 CA TYR A 74 9.251 4.571 -13.551 1.00 0.00 C ATOM 1161 C TYR A 74 7.820 5.024 -13.277 1.00 0.00 C ATOM 1162 O TYR A 74 6.886 4.620 -13.971 1.00 0.00 O ATOM 1163 CB TYR A 74 9.807 5.309 -14.770 1.00 0.00 C ATOM 1164 CG TYR A 74 11.313 5.436 -14.766 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.121 4.371 -15.144 1.00 0.00 C ATOM 1166 CD2 TYR A 74 11.930 6.621 -14.383 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.498 4.482 -15.141 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.306 6.742 -14.379 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.085 5.670 -14.758 1.00 0.00 C ATOM 1170 OH TYR A 74 15.457 5.785 -14.754 1.00 0.00 O ATOM 0 H TYR A 74 8.643 2.776 -14.447 1.00 0.00 H new ATOM 0 HA TYR A 74 9.861 4.810 -12.680 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.497 4.785 -15.674 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.367 6.305 -14.813 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.665 3.440 -15.446 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.323 7.462 -14.083 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.111 3.644 -15.437 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.769 7.671 -14.081 1.00 0.00 H new ATOM 0 HH TYR A 74 15.852 5.004 -15.194 1.00 0.00 H new ATOM 1180 N SER A 75 7.656 5.865 -12.261 1.00 0.00 N ATOM 1181 CA SER A 75 6.339 6.371 -11.892 1.00 0.00 C ATOM 1182 C SER A 75 5.886 7.460 -12.859 1.00 0.00 C ATOM 1183 O SER A 75 4.772 7.417 -13.383 1.00 0.00 O ATOM 1184 CB SER A 75 6.361 6.918 -10.464 1.00 0.00 C ATOM 1185 OG SER A 75 6.324 5.867 -9.515 1.00 0.00 O ATOM 0 H SER A 75 8.419 6.210 -11.679 1.00 0.00 H new ATOM 0 HA SER A 75 5.631 5.544 -11.945 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.260 7.516 -10.314 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.509 7.580 -10.312 1.00 0.00 H new ATOM 0 HG SER A 75 6.341 6.243 -8.610 1.00 0.00 H new ATOM 1191 N ASP A 76 6.756 8.436 -13.091 1.00 0.00 N ATOM 1192 CA ASP A 76 6.447 9.538 -13.996 1.00 0.00 C ATOM 1193 C ASP A 76 7.225 9.403 -15.301 1.00 0.00 C ATOM 1194 O ASP A 76 8.430 9.150 -15.295 1.00 0.00 O ATOM 1195 CB ASP A 76 6.769 10.877 -13.331 1.00 0.00 C ATOM 1196 CG ASP A 76 6.484 10.869 -11.843 1.00 0.00 C ATOM 1197 OD1 ASP A 76 5.332 10.572 -11.461 1.00 0.00 O ATOM 1198 OD2 ASP A 76 7.412 11.158 -11.059 1.00 0.00 O ATOM 0 H ASP A 76 7.681 8.487 -12.665 1.00 0.00 H new ATOM 0 HA ASP A 76 5.382 9.502 -14.224 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.819 11.117 -13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.184 11.665 -13.806 1.00 0.00 H new ATOM 1203 N VAL A 77 6.527 9.574 -16.420 1.00 0.00 N ATOM 1204 CA VAL A 77 7.152 9.471 -17.734 1.00 0.00 C ATOM 1205 C VAL A 77 8.159 10.595 -17.952 1.00 0.00 C ATOM 1206 O VAL A 77 9.248 10.373 -18.483 1.00 0.00 O ATOM 1207 CB VAL A 77 6.102 9.512 -18.859 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.280 10.790 -18.777 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.773 9.388 -20.219 1.00 0.00 C ATOM 0 H VAL A 77 5.529 9.784 -16.443 1.00 0.00 H new ATOM 0 HA VAL A 77 7.669 8.512 -17.765 1.00 0.00 H new ATOM 0 HB VAL A 77 5.427 8.665 -18.733 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.543 10.801 -19.580 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.769 10.833 -17.815 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.938 11.653 -18.877 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.016 9.419 -21.002 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.471 10.213 -20.357 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.313 8.443 -20.273 1.00 0.00 H new ATOM 1219 N LYS A 78 7.790 11.802 -17.538 1.00 0.00 N ATOM 1220 CA LYS A 78 8.661 12.962 -17.686 1.00 0.00 C ATOM 1221 C LYS A 78 10.102 12.609 -17.329 1.00 0.00 C ATOM 1222 O LYS A 78 11.031 12.939 -18.065 1.00 0.00 O ATOM 1223 CB LYS A 78 8.172 14.109 -16.799 1.00 0.00 C ATOM 1224 CG LYS A 78 8.025 13.728 -15.336 1.00 0.00 C ATOM 1225 CD LYS A 78 7.214 14.759 -14.570 1.00 0.00 C ATOM 1226 CE LYS A 78 5.721 14.492 -14.684 1.00 0.00 C ATOM 1227 NZ LYS A 78 5.214 14.751 -16.060 1.00 0.00 N ATOM 0 H LYS A 78 6.893 12.003 -17.097 1.00 0.00 H new ATOM 0 HA LYS A 78 8.630 13.278 -18.729 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.870 14.942 -16.880 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.210 14.461 -17.172 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.542 12.754 -15.260 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.012 13.631 -14.884 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.507 14.747 -13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.437 15.755 -14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.515 13.457 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.184 15.122 -13.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.184 14.891 -16.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.669 15.605 -16.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.435 13.938 -16.670 1.00 0.00 H new ATOM 1241 N ASN A 79 10.279 11.936 -16.197 1.00 0.00 N ATOM 1242 CA ASN A 79 11.607 11.538 -15.744 1.00 0.00 C ATOM 1243 C ASN A 79 12.207 10.488 -16.674 1.00 0.00 C ATOM 1244 O ASN A 79 13.344 10.622 -17.129 1.00 0.00 O ATOM 1245 CB ASN A 79 11.539 10.991 -14.317 1.00 0.00 C ATOM 1246 CG ASN A 79 10.843 11.945 -13.365 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.145 13.138 -13.333 1.00 0.00 O ATOM 1248 ND2 ASN A 79 9.906 11.422 -12.583 1.00 0.00 N ATOM 0 H ASN A 79 9.520 11.655 -15.577 1.00 0.00 H new ATOM 0 HA ASN A 79 12.248 12.420 -15.758 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.012 10.037 -14.321 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.549 10.795 -13.957 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.404 12.015 -11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.688 10.427 -12.643 1.00 0.00 H new ATOM 1255 N LEU A 80 11.435 9.443 -16.954 1.00 0.00 N ATOM 1256 CA LEU A 80 11.889 8.370 -17.831 1.00 0.00 C ATOM 1257 C LEU A 80 12.545 8.934 -19.088 1.00 0.00 C ATOM 1258 O LEU A 80 13.601 8.464 -19.513 1.00 0.00 O ATOM 1259 CB LEU A 80 10.715 7.468 -18.216 1.00 0.00 C ATOM 1260 CG LEU A 80 11.051 6.276 -19.113 1.00 0.00 C ATOM 1261 CD1 LEU A 80 12.035 5.346 -18.420 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.784 5.524 -19.497 1.00 0.00 C ATOM 0 H LEU A 80 10.492 9.316 -16.586 1.00 0.00 H new ATOM 0 HA LEU A 80 12.630 7.781 -17.290 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.257 7.091 -17.301 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.965 8.077 -18.721 1.00 0.00 H new ATOM 0 HG LEU A 80 11.518 6.652 -20.024 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.262 4.504 -19.074 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.953 5.889 -18.196 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.596 4.977 -17.493 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.042 4.679 -20.135 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.289 5.161 -18.596 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.112 6.193 -20.035 1.00 0.00 H new ATOM 1274 N ILE A 81 11.913 9.944 -19.676 1.00 0.00 N ATOM 1275 CA ILE A 81 12.436 10.574 -20.882 1.00 0.00 C ATOM 1276 C ILE A 81 13.912 10.925 -20.722 1.00 0.00 C ATOM 1277 O ILE A 81 14.748 10.527 -21.534 1.00 0.00 O ATOM 1278 CB ILE A 81 11.652 11.851 -21.236 1.00 0.00 C ATOM 1279 CG1 ILE A 81 10.162 11.536 -21.382 1.00 0.00 C ATOM 1280 CG2 ILE A 81 12.196 12.469 -22.515 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.840 10.679 -22.586 1.00 0.00 C ATOM 0 H ILE A 81 11.038 10.344 -19.337 1.00 0.00 H new ATOM 0 HA ILE A 81 12.321 9.852 -21.690 1.00 0.00 H new ATOM 0 HB ILE A 81 11.775 12.571 -20.427 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.817 11.028 -20.482 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.607 12.471 -21.453 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.632 13.371 -22.752 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.247 12.724 -22.377 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.100 11.755 -23.333 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.766 10.496 -22.626 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.154 11.194 -23.494 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.367 9.728 -22.507 1.00 0.00 H new ATOM 1293 N LYS A 82 14.226 11.671 -19.669 1.00 0.00 N ATOM 1294 CA LYS A 82 15.601 12.074 -19.399 1.00 0.00 C ATOM 1295 C LYS A 82 16.494 10.856 -19.188 1.00 0.00 C ATOM 1296 O LYS A 82 17.575 10.758 -19.770 1.00 0.00 O ATOM 1297 CB LYS A 82 15.656 12.979 -18.166 1.00 0.00 C ATOM 1298 CG LYS A 82 16.952 13.762 -18.043 1.00 0.00 C ATOM 1299 CD LYS A 82 16.974 14.611 -16.783 1.00 0.00 C ATOM 1300 CE LYS A 82 17.519 13.831 -15.596 1.00 0.00 C ATOM 1301 NZ LYS A 82 17.153 14.467 -14.300 1.00 0.00 N ATOM 0 H LYS A 82 13.546 12.009 -18.988 1.00 0.00 H new ATOM 0 HA LYS A 82 15.968 12.626 -20.265 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.821 13.678 -18.202 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.523 12.369 -17.272 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.795 13.072 -18.032 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.075 14.402 -18.916 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.587 15.497 -16.950 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.965 14.959 -16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.133 12.812 -15.623 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.604 13.763 -15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.543 13.906 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.543 15.430 -14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.117 14.509 -14.214 1.00 0.00 H new ATOM 1315 N HIS A 83 16.035 9.928 -18.354 1.00 0.00 N ATOM 1316 CA HIS A 83 16.792 8.714 -18.069 1.00 0.00 C ATOM 1317 C HIS A 83 17.236 8.035 -19.361 1.00 0.00 C ATOM 1318 O HIS A 83 18.398 7.655 -19.505 1.00 0.00 O ATOM 1319 CB HIS A 83 15.951 7.748 -17.235 1.00 0.00 C ATOM 1320 CG HIS A 83 16.345 6.313 -17.402 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.460 5.764 -16.804 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.765 5.311 -18.104 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.549 4.487 -17.132 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.533 4.187 -17.920 1.00 0.00 N ATOM 0 H HIS A 83 15.143 9.993 -17.864 1.00 0.00 H new ATOM 0 HA HIS A 83 17.680 8.994 -17.502 1.00 0.00 H new ATOM 0 HB2 HIS A 83 16.037 8.020 -16.183 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.902 7.863 -17.509 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.866 5.382 -18.698 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.322 3.805 -16.810 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.348 3.270 -18.326 1.00 0.00 H new ATOM 1332 N ILE A 84 16.304 7.886 -20.297 1.00 0.00 N ATOM 1333 CA ILE A 84 16.601 7.253 -21.576 1.00 0.00 C ATOM 1334 C ILE A 84 17.662 8.035 -22.343 1.00 0.00 C ATOM 1335 O ILE A 84 18.646 7.466 -22.816 1.00 0.00 O ATOM 1336 CB ILE A 84 15.338 7.131 -22.449 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.341 6.163 -21.809 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.707 6.668 -23.851 1.00 0.00 C ATOM 1339 CD1 ILE A 84 12.923 6.340 -22.306 1.00 0.00 C ATOM 0 H ILE A 84 15.337 8.195 -20.193 1.00 0.00 H new ATOM 0 HA ILE A 84 16.978 6.255 -21.355 1.00 0.00 H new ATOM 0 HB ILE A 84 14.868 8.112 -22.522 1.00 0.00 H new ATOM 0 HG12 ILE A 84 14.662 5.140 -22.007 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.358 6.299 -20.728 1.00 0.00 H new ATOM 0 HG21 ILE A 84 14.804 6.586 -24.457 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.385 7.390 -24.306 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.196 5.696 -23.796 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.271 5.621 -21.810 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.583 7.352 -22.084 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.892 6.175 -23.383 1.00 0.00 H new ATOM 1351 N ARG A 85 17.456 9.343 -22.461 1.00 0.00 N ATOM 1352 CA ARG A 85 18.395 10.203 -23.170 1.00 0.00 C ATOM 1353 C ARG A 85 19.749 10.225 -22.467 1.00 0.00 C ATOM 1354 O ARG A 85 20.759 10.614 -23.055 1.00 0.00 O ATOM 1355 CB ARG A 85 17.839 11.625 -23.273 1.00 0.00 C ATOM 1356 CG ARG A 85 16.488 11.702 -23.964 1.00 0.00 C ATOM 1357 CD ARG A 85 16.270 13.059 -24.612 1.00 0.00 C ATOM 1358 NE ARG A 85 17.287 13.355 -25.617 1.00 0.00 N ATOM 1359 CZ ARG A 85 17.213 12.948 -26.880 1.00 0.00 C ATOM 1360 NH1 ARG A 85 16.176 12.231 -27.289 1.00 0.00 N ATOM 1361 NH2 ARG A 85 18.179 13.257 -27.735 1.00 0.00 N ATOM 0 H ARG A 85 16.647 9.830 -22.075 1.00 0.00 H new ATOM 0 HA ARG A 85 18.532 9.800 -24.173 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.749 12.044 -22.271 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.551 12.246 -23.816 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.421 10.921 -24.721 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.696 11.512 -23.239 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.284 13.085 -25.076 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.282 13.833 -23.845 1.00 0.00 H new ATOM 0 HE ARG A 85 18.099 13.904 -25.334 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.432 11.990 -26.634 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.122 11.920 -28.259 1.00 0.00 H new ATOM 0 HH21 ARG A 85 18.979 13.807 -27.423 1.00 0.00 H new ATOM 0 HH22 ARG A 85 18.122 12.944 -28.704 1.00 0.00 H new ATOM 1375 N ASP A 86 19.763 9.805 -21.207 1.00 0.00 N ATOM 1376 CA ASP A 86 20.993 9.776 -20.424 1.00 0.00 C ATOM 1377 C ASP A 86 21.693 8.428 -20.562 1.00 0.00 C ATOM 1378 O ASP A 86 22.786 8.340 -21.120 1.00 0.00 O ATOM 1379 CB ASP A 86 20.692 10.060 -18.951 1.00 0.00 C ATOM 1380 CG ASP A 86 20.148 11.458 -18.730 1.00 0.00 C ATOM 1381 OD1 ASP A 86 20.382 12.329 -19.594 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.488 11.680 -17.694 1.00 0.00 O ATOM 0 H ASP A 86 18.936 9.480 -20.706 1.00 0.00 H new ATOM 0 HA ASP A 86 21.657 10.551 -20.807 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.971 9.330 -18.583 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.602 9.931 -18.366 1.00 0.00 H new ATOM 1387 N ALA A 87 21.056 7.380 -20.049 1.00 0.00 N ATOM 1388 CA ALA A 87 21.617 6.037 -20.117 1.00 0.00 C ATOM 1389 C ALA A 87 21.520 5.471 -21.530 1.00 0.00 C ATOM 1390 O ALA A 87 22.512 5.009 -22.094 1.00 0.00 O ATOM 1391 CB ALA A 87 20.911 5.120 -19.129 1.00 0.00 C ATOM 0 H ALA A 87 20.151 7.436 -19.582 1.00 0.00 H new ATOM 0 HA ALA A 87 22.672 6.097 -19.851 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.340 4.120 -19.190 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.038 5.508 -18.118 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.849 5.075 -19.370 1.00 0.00 H new ATOM 1397 N HIS A 88 20.318 5.511 -22.096 1.00 0.00 N ATOM 1398 CA HIS A 88 20.092 5.002 -23.445 1.00 0.00 C ATOM 1399 C HIS A 88 20.073 6.141 -24.459 1.00 0.00 C ATOM 1400 O HIS A 88 19.235 6.167 -25.361 1.00 0.00 O ATOM 1401 CB HIS A 88 18.775 4.227 -23.505 1.00 0.00 C ATOM 1402 CG HIS A 88 18.544 3.345 -22.317 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.392 2.316 -21.966 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.553 3.345 -21.395 1.00 0.00 C ATOM 1405 CE1 HIS A 88 18.932 1.720 -20.881 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.817 2.325 -20.514 1.00 0.00 N ATOM 0 H HIS A 88 19.486 5.890 -21.643 1.00 0.00 H new ATOM 0 HA HIS A 88 20.912 4.330 -23.696 1.00 0.00 H new ATOM 0 HB2 HIS A 88 17.950 4.935 -23.588 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.763 3.617 -24.408 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.712 4.021 -21.359 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.390 0.880 -20.379 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.245 2.075 -19.707 1.00 0.00 H new ATOM 1414 N ASP A 89 21.000 7.080 -24.305 1.00 0.00 N ATOM 1415 CA ASP A 89 21.089 8.222 -25.208 1.00 0.00 C ATOM 1416 C ASP A 89 21.172 7.761 -26.660 1.00 0.00 C ATOM 1417 O ASP A 89 22.017 6.946 -27.031 1.00 0.00 O ATOM 1418 CB ASP A 89 22.308 9.078 -24.861 1.00 0.00 C ATOM 1419 CG ASP A 89 23.607 8.457 -25.336 1.00 0.00 C ATOM 1420 OD1 ASP A 89 23.775 7.231 -25.167 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.454 9.196 -25.878 1.00 0.00 O ATOM 0 H ASP A 89 21.700 7.073 -23.564 1.00 0.00 H new ATOM 0 HA ASP A 89 20.187 8.822 -25.087 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.195 10.065 -25.310 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.351 9.222 -23.781 1.00 0.00 H new