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 120:sc= -0.346 USER MOD Set 1.2: A 70 CYS SG : rot 151:sc= -1.23! USER MOD Set 1.3: A 74 TYR OH : rot 26:sc= 0.522 USER MOD Set 1.4: A 83 HIS : no HD1:sc= -0.0356 K(o=-2.7,f=-4.7) USER MOD Set 1.5: A 88 HIS : no HD1:sc= -1.63! C(o=-2.7!,f=-9!) USER MOD Set 2.1: A 46 CYS SG : rot 140:sc= -0.371 USER MOD Set 2.2: A 51 HIS : no HD1:sc= -2.49! K(o=-2.9!,f=-1.3) USER MOD Set 3.1: A 39 CYS SG : rot 167:sc= -0.126 USER MOD Set 3.2: A 42 CYS SG : rot -40:sc= -0.83 USER MOD Set 3.3: A 55 HIS : no HE2:sc= -0.713 K(o=-2.8,f=-6.1) USER MOD Set 3.4: A 60 HIS : no HD1:sc= -1.14 K(o=-2.8,f=-6.2) USER MOD Set 4.1: A 12 CYS SG : rot 166:sc= 0.172 USER MOD Set 4.2: A 15 CYS SG : rot -52:sc= -3.07! USER MOD Set 4.3: A 28 HIS : no HE2:sc= -0.752 K(o=-5,f=-8.7) USER MOD Set 4.4: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.5: A 32 HIS : no HD1:sc= -1.31 K(o=-5,f=-8.4) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -5.48! C(o=-5.5!,f=-4.3!) USER MOD Single : A 16 SER OG : rot -55:sc= 0.769 USER MOD Single : A 17 TYR OH : rot 130:sc= -0.781 USER MOD Single : A 19 SER OG : rot 130:sc=-0.00925 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.707 X(o=-0.71,f=-0.38) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0531) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 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 53 LYS NZ :NH3+ 153:sc= -0.157 (180deg=-0.747) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.726 K(o=-0.73,f=-5!) USER MOD Single : A 66 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ -132:sc= 0.202 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.201) USER MOD Single : A 75 SER OG : rot -83:sc= 0.864 USER MOD Single : A 78 LYS NZ :NH3+ -133:sc= -0.501 (180deg=-2.4!) USER MOD Single : A 79 ASN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 2.835 41.494 -35.577 1.00 0.00 N ATOM 67 CA LYS A 8 2.185 40.192 -35.677 1.00 0.00 C ATOM 68 C LYS A 8 3.185 39.065 -35.440 1.00 0.00 C ATOM 69 O LYS A 8 3.341 38.159 -36.259 1.00 0.00 O ATOM 70 CB LYS A 8 1.532 40.029 -37.052 1.00 0.00 C ATOM 71 CG LYS A 8 0.178 40.706 -37.166 1.00 0.00 C ATOM 72 CD LYS A 8 -0.157 41.043 -38.609 1.00 0.00 C ATOM 73 CE LYS A 8 -1.044 42.276 -38.703 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.252 43.535 -38.635 1.00 0.00 N ATOM 0 HA LYS A 8 1.415 40.138 -34.907 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.198 40.437 -37.812 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.417 38.967 -37.267 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.592 40.053 -36.756 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.174 41.617 -36.568 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.764 41.213 -39.167 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.660 40.195 -39.074 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.605 42.250 -39.637 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.773 42.261 -37.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.892 44.352 -38.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.263 43.573 -37.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.427 43.561 -39.423 1.00 0.00 H new ATOM 88 N PRO A 9 3.878 39.119 -34.293 1.00 0.00 N ATOM 89 CA PRO A 9 4.873 38.109 -33.921 1.00 0.00 C ATOM 90 C PRO A 9 4.236 36.764 -33.588 1.00 0.00 C ATOM 91 O PRO A 9 4.719 35.715 -34.015 1.00 0.00 O ATOM 92 CB PRO A 9 5.539 38.707 -32.680 1.00 0.00 C ATOM 93 CG PRO A 9 4.514 39.620 -32.102 1.00 0.00 C ATOM 94 CD PRO A 9 3.743 40.170 -33.270 1.00 0.00 C ATOM 0 HA PRO A 9 5.567 37.901 -34.735 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.823 37.930 -31.970 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.449 39.248 -32.941 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.856 39.085 -31.418 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.983 40.422 -31.532 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.699 40.350 -33.014 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.155 41.119 -33.612 1.00 0.00 H new ATOM 102 N TYR A 10 3.151 36.801 -32.822 1.00 0.00 N ATOM 103 CA TYR A 10 2.450 35.585 -32.430 1.00 0.00 C ATOM 104 C TYR A 10 1.859 34.880 -33.647 1.00 0.00 C ATOM 105 O TYR A 10 1.162 35.493 -34.456 1.00 0.00 O ATOM 106 CB TYR A 10 1.342 35.911 -31.427 1.00 0.00 C ATOM 107 CG TYR A 10 1.815 36.732 -30.248 1.00 0.00 C ATOM 108 CD1 TYR A 10 1.966 38.109 -30.352 1.00 0.00 C ATOM 109 CD2 TYR A 10 2.112 36.130 -29.031 1.00 0.00 C ATOM 110 CE1 TYR A 10 2.398 38.863 -29.278 1.00 0.00 C ATOM 111 CE2 TYR A 10 2.543 36.876 -27.952 1.00 0.00 C ATOM 112 CZ TYR A 10 2.685 38.242 -28.080 1.00 0.00 C ATOM 113 OH TYR A 10 3.115 38.989 -27.008 1.00 0.00 O ATOM 0 H TYR A 10 2.738 37.661 -32.460 1.00 0.00 H new ATOM 0 HA TYR A 10 3.171 34.916 -31.960 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.547 36.452 -31.940 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.910 34.980 -31.061 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.742 38.598 -31.288 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.004 35.060 -28.928 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.510 39.933 -29.376 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.768 36.392 -27.013 1.00 0.00 H new ATOM 0 HH TYR A 10 3.272 38.400 -26.241 1.00 0.00 H new ATOM 123 N LYS A 11 2.141 33.588 -33.769 1.00 0.00 N ATOM 124 CA LYS A 11 1.637 32.796 -34.885 1.00 0.00 C ATOM 125 C LYS A 11 0.910 31.552 -34.385 1.00 0.00 C ATOM 126 O LYS A 11 1.216 31.031 -33.312 1.00 0.00 O ATOM 127 CB LYS A 11 2.786 32.391 -35.810 1.00 0.00 C ATOM 128 CG LYS A 11 3.056 33.393 -36.920 1.00 0.00 C ATOM 129 CD LYS A 11 3.864 34.578 -36.417 1.00 0.00 C ATOM 130 CE LYS A 11 4.415 35.406 -37.568 1.00 0.00 C ATOM 131 NZ LYS A 11 5.759 34.932 -37.998 1.00 0.00 N ATOM 0 H LYS A 11 2.717 33.066 -33.108 1.00 0.00 H new ATOM 0 HA LYS A 11 0.929 33.409 -35.443 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.692 32.266 -35.217 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.559 31.422 -36.254 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.594 32.903 -37.731 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.110 33.745 -37.332 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.236 35.205 -35.784 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.687 34.222 -35.797 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.726 35.359 -38.412 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.478 36.451 -37.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.100 35.522 -38.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.423 35.001 -37.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.694 33.942 -38.311 1.00 0.00 H new ATOM 145 N CYS A 12 -0.052 31.078 -35.170 1.00 0.00 N ATOM 146 CA CYS A 12 -0.822 29.894 -34.808 1.00 0.00 C ATOM 147 C CYS A 12 -0.108 28.623 -35.258 1.00 0.00 C ATOM 148 O CYS A 12 0.241 28.458 -36.427 1.00 0.00 O ATOM 149 CB CYS A 12 -2.217 29.957 -35.432 1.00 0.00 C ATOM 150 SG CYS A 12 -3.289 28.549 -34.999 1.00 0.00 S ATOM 0 H CYS A 12 -0.317 31.496 -36.062 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.918 29.871 -33.722 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.703 30.880 -35.117 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.117 30.004 -36.516 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.520 28.828 -35.312 1.00 0.00 H new ATOM 155 N PRO A 13 0.115 27.702 -34.308 1.00 0.00 N ATOM 156 CA PRO A 13 0.788 26.429 -34.583 1.00 0.00 C ATOM 157 C PRO A 13 -0.066 25.492 -35.429 1.00 0.00 C ATOM 158 O PRO A 13 0.416 24.473 -35.921 1.00 0.00 O ATOM 159 CB PRO A 13 1.010 25.838 -33.188 1.00 0.00 C ATOM 160 CG PRO A 13 -0.052 26.451 -32.343 1.00 0.00 C ATOM 161 CD PRO A 13 -0.273 27.832 -32.894 1.00 0.00 C ATOM 0 HA PRO A 13 1.706 26.568 -35.154 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.927 24.751 -33.201 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.004 26.078 -32.810 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.969 25.864 -32.382 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.256 26.492 -31.298 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.312 28.145 -32.790 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.336 28.573 -32.377 1.00 0.00 H new ATOM 169 N GLN A 14 -1.337 25.845 -35.594 1.00 0.00 N ATOM 170 CA GLN A 14 -2.259 25.034 -36.381 1.00 0.00 C ATOM 171 C GLN A 14 -2.368 25.563 -37.807 1.00 0.00 C ATOM 172 O GLN A 14 -2.397 24.792 -38.766 1.00 0.00 O ATOM 173 CB GLN A 14 -3.640 25.011 -35.725 1.00 0.00 C ATOM 174 CG GLN A 14 -3.634 24.449 -34.312 1.00 0.00 C ATOM 175 CD GLN A 14 -4.948 23.791 -33.940 1.00 0.00 C ATOM 176 OE1 GLN A 14 -5.436 22.909 -34.647 1.00 0.00 O ATOM 177 NE2 GLN A 14 -5.529 24.217 -32.825 1.00 0.00 N ATOM 0 H GLN A 14 -1.752 26.687 -35.194 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.867 24.018 -36.419 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.039 26.025 -35.702 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.315 24.417 -36.340 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.828 23.721 -34.218 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.422 25.252 -33.606 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.089 24.950 -32.269 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.415 23.811 -32.524 1.00 0.00 H new ATOM 186 N CYS A 15 -2.430 26.884 -37.939 1.00 0.00 N ATOM 187 CA CYS A 15 -2.538 27.518 -39.247 1.00 0.00 C ATOM 188 C CYS A 15 -1.578 28.699 -39.360 1.00 0.00 C ATOM 189 O CYS A 15 -0.879 29.038 -38.404 1.00 0.00 O ATOM 190 CB CYS A 15 -3.973 27.988 -39.493 1.00 0.00 C ATOM 191 SG CYS A 15 -4.403 29.540 -38.641 1.00 0.00 S ATOM 0 H CYS A 15 -2.407 27.536 -37.155 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.270 26.780 -40.003 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.122 28.121 -40.565 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.661 27.206 -39.170 1.00 0.00 H new ATOM 0 HG CYS A 15 -4.111 29.437 -37.378 1.00 0.00 H new ATOM 196 N SER A 16 -1.550 29.323 -40.533 1.00 0.00 N ATOM 197 CA SER A 16 -0.674 30.464 -40.773 1.00 0.00 C ATOM 198 C SER A 16 -1.299 31.749 -40.240 1.00 0.00 C ATOM 199 O SER A 16 -1.222 32.800 -40.876 1.00 0.00 O ATOM 200 CB SER A 16 -0.384 30.606 -42.268 1.00 0.00 C ATOM 201 OG SER A 16 0.528 31.662 -42.512 1.00 0.00 O ATOM 0 H SER A 16 -2.124 29.057 -41.333 1.00 0.00 H new ATOM 0 HA SER A 16 0.263 30.289 -40.244 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.025 29.672 -42.653 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.314 30.792 -42.806 1.00 0.00 H new ATOM 0 HG SER A 16 0.185 32.489 -42.113 1.00 0.00 H new ATOM 207 N TYR A 17 -1.917 31.657 -39.068 1.00 0.00 N ATOM 208 CA TYR A 17 -2.558 32.812 -38.449 1.00 0.00 C ATOM 209 C TYR A 17 -1.574 33.572 -37.565 1.00 0.00 C ATOM 210 O TYR A 17 -0.678 32.981 -36.964 1.00 0.00 O ATOM 211 CB TYR A 17 -3.767 32.368 -37.622 1.00 0.00 C ATOM 212 CG TYR A 17 -4.291 33.440 -36.693 1.00 0.00 C ATOM 213 CD1 TYR A 17 -5.240 34.358 -37.126 1.00 0.00 C ATOM 214 CD2 TYR A 17 -3.836 33.535 -35.384 1.00 0.00 C ATOM 215 CE1 TYR A 17 -5.722 35.339 -36.281 1.00 0.00 C ATOM 216 CE2 TYR A 17 -4.313 34.512 -34.532 1.00 0.00 C ATOM 217 CZ TYR A 17 -5.255 35.412 -34.985 1.00 0.00 C ATOM 218 OH TYR A 17 -5.732 36.387 -34.139 1.00 0.00 O ATOM 0 H TYR A 17 -1.988 30.795 -38.527 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.894 33.479 -39.243 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.566 32.062 -38.297 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.493 31.492 -37.034 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.607 34.304 -38.140 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.097 32.833 -35.026 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.460 36.045 -36.633 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.950 34.571 -33.516 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.013 35.978 -33.294 1.00 0.00 H new ATOM 228 N ALA A 18 -1.750 34.887 -37.490 1.00 0.00 N ATOM 229 CA ALA A 18 -0.881 35.729 -36.678 1.00 0.00 C ATOM 230 C ALA A 18 -1.647 36.917 -36.105 1.00 0.00 C ATOM 231 O ALA A 18 -2.606 37.398 -36.708 1.00 0.00 O ATOM 232 CB ALA A 18 0.306 36.210 -37.500 1.00 0.00 C ATOM 0 H ALA A 18 -2.487 35.392 -37.982 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.513 35.131 -35.844 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.947 36.838 -36.881 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.874 35.351 -37.856 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.052 36.786 -38.353 1.00 0.00 H new ATOM 238 N SER A 19 -1.217 37.385 -34.938 1.00 0.00 N ATOM 239 CA SER A 19 -1.865 38.514 -34.281 1.00 0.00 C ATOM 240 C SER A 19 -0.888 39.244 -33.365 1.00 0.00 C ATOM 241 O SER A 19 -0.052 38.623 -32.710 1.00 0.00 O ATOM 242 CB SER A 19 -3.076 38.038 -33.478 1.00 0.00 C ATOM 243 OG SER A 19 -3.726 39.124 -32.841 1.00 0.00 O ATOM 0 H SER A 19 -0.422 37.000 -34.428 1.00 0.00 H new ATOM 0 HA SER A 19 -2.200 39.208 -35.052 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.777 37.528 -34.139 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.757 37.312 -32.730 1.00 0.00 H new ATOM 0 HG SER A 19 -4.686 39.089 -33.033 1.00 0.00 H new ATOM 249 N ALA A 20 -1.000 40.568 -33.325 1.00 0.00 N ATOM 250 CA ALA A 20 -0.128 41.383 -32.488 1.00 0.00 C ATOM 251 C ALA A 20 -0.569 41.337 -31.029 1.00 0.00 C ATOM 252 O ALA A 20 -0.047 42.072 -30.190 1.00 0.00 O ATOM 253 CB ALA A 20 -0.108 42.819 -32.990 1.00 0.00 C ATOM 0 H ALA A 20 -1.686 41.099 -33.862 1.00 0.00 H new ATOM 0 HA ALA A 20 0.880 40.974 -32.549 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.547 43.417 -32.356 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.261 42.841 -34.016 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.117 43.230 -32.958 1.00 0.00 H new ATOM 259 N ILE A 21 -1.531 40.471 -30.733 1.00 0.00 N ATOM 260 CA ILE A 21 -2.041 40.330 -29.375 1.00 0.00 C ATOM 261 C ILE A 21 -1.942 38.884 -28.898 1.00 0.00 C ATOM 262 O ILE A 21 -2.536 37.982 -29.489 1.00 0.00 O ATOM 263 CB ILE A 21 -3.505 40.794 -29.272 1.00 0.00 C ATOM 264 CG1 ILE A 21 -3.659 42.201 -29.852 1.00 0.00 C ATOM 265 CG2 ILE A 21 -3.972 40.758 -27.824 1.00 0.00 C ATOM 266 CD1 ILE A 21 -3.055 43.282 -28.983 1.00 0.00 C ATOM 0 H ILE A 21 -1.974 39.856 -31.416 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.423 40.963 -28.739 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.128 40.112 -29.851 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.191 42.233 -30.836 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.719 42.412 -29.996 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.009 41.089 -27.768 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.895 39.740 -27.442 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.347 41.419 -27.224 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.201 44.253 -29.456 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.540 43.277 -28.007 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.988 43.096 -28.859 1.00 0.00 H new ATOM 278 N LYS A 22 -1.190 38.671 -27.824 1.00 0.00 N ATOM 279 CA LYS A 22 -1.016 37.336 -27.264 1.00 0.00 C ATOM 280 C LYS A 22 -2.365 36.681 -26.990 1.00 0.00 C ATOM 281 O LYS A 22 -2.601 35.537 -27.380 1.00 0.00 O ATOM 282 CB LYS A 22 -0.199 37.406 -25.972 1.00 0.00 C ATOM 283 CG LYS A 22 0.097 36.045 -25.366 1.00 0.00 C ATOM 284 CD LYS A 22 1.363 36.072 -24.525 1.00 0.00 C ATOM 285 CE LYS A 22 1.196 36.949 -23.294 1.00 0.00 C ATOM 286 NZ LYS A 22 0.681 36.177 -22.129 1.00 0.00 N ATOM 0 H LYS A 22 -0.691 39.406 -27.323 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.480 36.730 -27.994 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.742 37.917 -26.174 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.739 38.010 -25.243 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.744 35.730 -24.749 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.203 35.307 -26.161 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.619 35.058 -24.218 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.193 36.442 -25.127 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.155 37.399 -23.036 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.511 37.766 -23.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.581 36.810 -21.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.245 35.768 -22.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.347 35.413 -21.897 1.00 0.00 H new ATOM 300 N ALA A 23 -3.248 37.412 -26.318 1.00 0.00 N ATOM 301 CA ALA A 23 -4.575 36.903 -25.996 1.00 0.00 C ATOM 302 C ALA A 23 -5.302 36.429 -27.250 1.00 0.00 C ATOM 303 O ALA A 23 -5.884 35.346 -27.270 1.00 0.00 O ATOM 304 CB ALA A 23 -5.392 37.970 -25.282 1.00 0.00 C ATOM 0 H ALA A 23 -3.068 38.359 -25.986 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.456 36.047 -25.332 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.381 37.575 -25.048 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.888 38.257 -24.359 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.493 38.843 -25.927 1.00 0.00 H new ATOM 310 N ASN A 24 -5.263 37.249 -28.296 1.00 0.00 N ATOM 311 CA ASN A 24 -5.919 36.914 -29.555 1.00 0.00 C ATOM 312 C ASN A 24 -5.594 35.483 -29.973 1.00 0.00 C ATOM 313 O ASN A 24 -6.488 34.645 -30.104 1.00 0.00 O ATOM 314 CB ASN A 24 -5.488 37.888 -30.653 1.00 0.00 C ATOM 315 CG ASN A 24 -6.421 39.078 -30.768 1.00 0.00 C ATOM 316 OD1 ASN A 24 -6.971 39.349 -31.836 1.00 0.00 O ATOM 317 ND2 ASN A 24 -6.603 39.796 -29.666 1.00 0.00 N ATOM 0 H ASN A 24 -4.784 38.150 -28.296 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.996 36.996 -29.408 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.478 38.241 -30.446 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.453 37.363 -31.608 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.219 40.609 -29.683 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.127 39.535 -28.803 1.00 0.00 H new ATOM 324 N LEU A 25 -4.311 35.210 -30.181 1.00 0.00 N ATOM 325 CA LEU A 25 -3.867 33.880 -30.583 1.00 0.00 C ATOM 326 C LEU A 25 -4.614 32.799 -29.808 1.00 0.00 C ATOM 327 O LEU A 25 -5.099 31.828 -30.388 1.00 0.00 O ATOM 328 CB LEU A 25 -2.361 33.734 -30.362 1.00 0.00 C ATOM 329 CG LEU A 25 -1.784 32.333 -30.568 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.977 31.882 -32.008 1.00 0.00 C ATOM 331 CD2 LEU A 25 -0.311 32.302 -30.190 1.00 0.00 C ATOM 0 H LEU A 25 -3.560 35.892 -30.078 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.085 33.757 -31.644 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.847 34.419 -31.036 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.131 34.054 -29.346 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.320 31.641 -29.918 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.560 30.883 -32.135 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.041 31.864 -32.244 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.468 32.575 -32.678 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.083 31.297 -30.343 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.240 33.006 -30.814 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.198 32.580 -29.142 1.00 0.00 H new ATOM 343 N ASN A 26 -4.702 32.975 -28.494 1.00 0.00 N ATOM 344 CA ASN A 26 -5.391 32.015 -27.638 1.00 0.00 C ATOM 345 C ASN A 26 -6.828 31.804 -28.105 1.00 0.00 C ATOM 346 O ASN A 26 -7.272 30.671 -28.291 1.00 0.00 O ATOM 347 CB ASN A 26 -5.380 32.495 -26.186 1.00 0.00 C ATOM 348 CG ASN A 26 -4.282 31.841 -25.369 1.00 0.00 C ATOM 349 OD1 ASN A 26 -4.199 30.615 -25.290 1.00 0.00 O ATOM 350 ND2 ASN A 26 -3.434 32.658 -24.756 1.00 0.00 N ATOM 0 H ASN A 26 -4.305 33.773 -27.998 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.863 31.064 -27.703 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.249 33.577 -26.165 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.346 32.281 -25.728 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.675 32.276 -24.191 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.541 33.668 -24.850 1.00 0.00 H new ATOM 357 N VAL A 27 -7.551 32.904 -28.293 1.00 0.00 N ATOM 358 CA VAL A 27 -8.938 32.840 -28.739 1.00 0.00 C ATOM 359 C VAL A 27 -9.039 32.224 -30.130 1.00 0.00 C ATOM 360 O VAL A 27 -9.807 31.287 -30.351 1.00 0.00 O ATOM 361 CB VAL A 27 -9.585 34.238 -28.760 1.00 0.00 C ATOM 362 CG1 VAL A 27 -11.056 34.150 -28.384 1.00 0.00 C ATOM 363 CG2 VAL A 27 -8.843 35.183 -27.828 1.00 0.00 C ATOM 0 H VAL A 27 -7.199 33.850 -28.143 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.472 32.211 -28.027 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.516 34.636 -29.772 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.497 35.147 -28.404 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.576 33.509 -29.096 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.151 33.731 -27.382 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.314 36.166 -27.856 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.878 34.793 -26.811 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.805 35.269 -28.148 1.00 0.00 H new ATOM 373 N HIS A 28 -8.259 32.756 -31.065 1.00 0.00 N ATOM 374 CA HIS A 28 -8.260 32.257 -32.436 1.00 0.00 C ATOM 375 C HIS A 28 -8.233 30.732 -32.459 1.00 0.00 C ATOM 376 O HIS A 28 -9.009 30.098 -33.176 1.00 0.00 O ATOM 377 CB HIS A 28 -7.060 32.812 -33.204 1.00 0.00 C ATOM 378 CG HIS A 28 -6.671 31.981 -34.388 1.00 0.00 C ATOM 379 ND1 HIS A 28 -7.213 32.160 -35.643 1.00 0.00 N ATOM 380 CD2 HIS A 28 -5.786 30.964 -34.504 1.00 0.00 C ATOM 381 CE1 HIS A 28 -6.680 31.287 -36.479 1.00 0.00 C ATOM 382 NE2 HIS A 28 -5.810 30.550 -35.813 1.00 0.00 N ATOM 0 H HIS A 28 -7.618 33.532 -30.899 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.178 32.594 -32.918 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.290 33.823 -33.540 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.209 32.887 -32.527 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -7.916 32.858 -35.888 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.174 30.554 -33.714 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -6.916 31.192 -37.529 1.00 0.00 H new ATOM 390 N LEU A 29 -7.336 30.149 -31.672 1.00 0.00 N ATOM 391 CA LEU A 29 -7.207 28.697 -31.603 1.00 0.00 C ATOM 392 C LEU A 29 -8.560 28.043 -31.343 1.00 0.00 C ATOM 393 O LEU A 29 -8.811 26.919 -31.778 1.00 0.00 O ATOM 394 CB LEU A 29 -6.218 28.305 -30.503 1.00 0.00 C ATOM 395 CG LEU A 29 -4.780 28.790 -30.690 1.00 0.00 C ATOM 396 CD1 LEU A 29 -4.086 28.932 -29.345 1.00 0.00 C ATOM 397 CD2 LEU A 29 -4.009 27.838 -31.593 1.00 0.00 C ATOM 0 H LEU A 29 -6.687 30.659 -31.073 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.831 28.343 -32.563 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.590 28.690 -29.554 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.206 27.218 -30.423 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.806 29.770 -31.167 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.064 29.278 -29.498 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.626 29.654 -28.732 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.070 27.966 -28.840 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.988 28.199 -31.715 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.992 26.845 -31.144 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.495 27.787 -32.568 1.00 0.00 H new ATOM 409 N ARG A 30 -9.429 28.754 -30.632 1.00 0.00 N ATOM 410 CA ARG A 30 -10.757 28.242 -30.315 1.00 0.00 C ATOM 411 C ARG A 30 -11.446 27.707 -31.567 1.00 0.00 C ATOM 412 O ARG A 30 -12.266 26.791 -31.494 1.00 0.00 O ATOM 413 CB ARG A 30 -11.611 29.340 -29.680 1.00 0.00 C ATOM 414 CG ARG A 30 -11.068 29.844 -28.352 1.00 0.00 C ATOM 415 CD ARG A 30 -11.850 31.048 -27.851 1.00 0.00 C ATOM 416 NE ARG A 30 -13.069 30.655 -27.149 1.00 0.00 N ATOM 417 CZ ARG A 30 -13.106 30.338 -25.860 1.00 0.00 C ATOM 418 NH1 ARG A 30 -11.996 30.369 -25.135 1.00 0.00 N ATOM 419 NH2 ARG A 30 -14.254 29.991 -25.293 1.00 0.00 N ATOM 0 H ARG A 30 -9.237 29.686 -30.265 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.644 27.423 -29.605 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.685 30.177 -30.374 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.622 28.961 -29.529 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.115 29.045 -27.612 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.018 30.113 -28.466 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.221 31.637 -27.183 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.108 31.689 -28.694 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.940 30.622 -27.678 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.112 30.637 -25.567 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.026 30.125 -24.145 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.110 29.967 -25.847 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.281 29.748 -24.303 1.00 0.00 H new ATOM 433 N LYS A 31 -11.109 28.284 -32.715 1.00 0.00 N ATOM 434 CA LYS A 31 -11.694 27.866 -33.983 1.00 0.00 C ATOM 435 C LYS A 31 -11.129 26.519 -34.424 1.00 0.00 C ATOM 436 O LYS A 31 -11.794 25.757 -35.127 1.00 0.00 O ATOM 437 CB LYS A 31 -11.431 28.920 -35.061 1.00 0.00 C ATOM 438 CG LYS A 31 -11.859 30.321 -34.660 1.00 0.00 C ATOM 439 CD LYS A 31 -11.556 31.331 -35.754 1.00 0.00 C ATOM 440 CE LYS A 31 -11.206 32.692 -35.174 1.00 0.00 C ATOM 441 NZ LYS A 31 -10.735 33.638 -36.223 1.00 0.00 N ATOM 0 H LYS A 31 -10.433 29.044 -32.793 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.770 27.760 -33.842 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.367 28.928 -35.297 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.958 28.635 -35.972 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.927 30.328 -34.443 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.345 30.611 -33.743 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.728 30.971 -36.364 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.420 31.426 -36.412 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.080 33.110 -34.675 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.431 32.575 -34.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.507 34.554 -35.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.886 33.252 -36.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.483 33.770 -36.933 1.00 0.00 H new ATOM 455 N HIS A 32 -9.900 26.233 -34.008 1.00 0.00 N ATOM 456 CA HIS A 32 -9.247 24.977 -34.359 1.00 0.00 C ATOM 457 C HIS A 32 -9.733 23.843 -33.461 1.00 0.00 C ATOM 458 O HIS A 32 -9.058 22.823 -33.310 1.00 0.00 O ATOM 459 CB HIS A 32 -7.729 25.118 -34.246 1.00 0.00 C ATOM 460 CG HIS A 32 -7.113 25.881 -35.378 1.00 0.00 C ATOM 461 ND1 HIS A 32 -7.276 25.529 -36.701 1.00 0.00 N ATOM 462 CD2 HIS A 32 -6.331 26.986 -35.378 1.00 0.00 C ATOM 463 CE1 HIS A 32 -6.619 26.382 -37.466 1.00 0.00 C ATOM 464 NE2 HIS A 32 -6.038 27.277 -36.687 1.00 0.00 N ATOM 0 H HIS A 32 -9.336 26.854 -33.427 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.506 24.737 -35.390 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.488 25.618 -33.308 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.282 24.125 -34.202 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.999 27.536 -34.510 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.566 26.353 -38.544 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.465 28.058 -37.007 1.00 0.00 H new ATOM 508 N LYS A 36 -11.612 14.951 -33.613 1.00 0.00 N ATOM 509 CA LYS A 36 -11.572 13.642 -32.971 1.00 0.00 C ATOM 510 C LYS A 36 -10.202 13.379 -32.356 1.00 0.00 C ATOM 511 O LYS A 36 -9.265 12.983 -33.049 1.00 0.00 O ATOM 512 CB LYS A 36 -11.908 12.544 -33.983 1.00 0.00 C ATOM 513 CG LYS A 36 -13.400 12.332 -34.178 1.00 0.00 C ATOM 514 CD LYS A 36 -13.714 10.892 -34.546 1.00 0.00 C ATOM 515 CE LYS A 36 -15.173 10.724 -34.941 1.00 0.00 C ATOM 516 NZ LYS A 36 -15.452 11.294 -36.289 1.00 0.00 N ATOM 0 HA LYS A 36 -12.316 13.633 -32.174 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.457 12.796 -34.943 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.456 11.608 -33.654 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.929 12.599 -33.263 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.764 12.997 -34.962 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.074 10.578 -35.371 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.487 10.242 -33.701 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.432 9.665 -34.934 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.808 11.212 -34.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.424 11.056 -36.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.344 12.328 -36.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.783 10.896 -36.979 1.00 0.00 H new ATOM 530 N PHE A 37 -10.092 13.601 -31.050 1.00 0.00 N ATOM 531 CA PHE A 37 -8.836 13.387 -30.341 1.00 0.00 C ATOM 532 C PHE A 37 -8.793 11.995 -29.718 1.00 0.00 C ATOM 533 O PHE A 37 -9.296 11.781 -28.615 1.00 0.00 O ATOM 534 CB PHE A 37 -8.650 14.450 -29.257 1.00 0.00 C ATOM 535 CG PHE A 37 -8.764 15.856 -29.770 1.00 0.00 C ATOM 536 CD1 PHE A 37 -10.006 16.420 -30.016 1.00 0.00 C ATOM 537 CD2 PHE A 37 -7.629 16.615 -30.008 1.00 0.00 C ATOM 538 CE1 PHE A 37 -10.114 17.714 -30.488 1.00 0.00 C ATOM 539 CE2 PHE A 37 -7.732 17.910 -30.480 1.00 0.00 C ATOM 540 CZ PHE A 37 -8.975 18.460 -30.722 1.00 0.00 C ATOM 0 H PHE A 37 -10.858 13.929 -30.461 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.023 13.468 -31.062 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.395 14.295 -28.476 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.672 14.319 -28.795 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.900 15.841 -29.837 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.654 16.190 -29.823 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.088 18.142 -30.674 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.840 18.492 -30.660 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.057 19.471 -31.093 1.00 0.00 H new ATOM 550 N ALA A 38 -8.189 11.051 -30.433 1.00 0.00 N ATOM 551 CA ALA A 38 -8.079 9.680 -29.950 1.00 0.00 C ATOM 552 C ALA A 38 -7.131 9.592 -28.759 1.00 0.00 C ATOM 553 O ALA A 38 -6.131 10.308 -28.694 1.00 0.00 O ATOM 554 CB ALA A 38 -7.611 8.762 -31.069 1.00 0.00 C ATOM 0 H ALA A 38 -7.769 11.211 -31.348 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.066 9.357 -29.620 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.533 7.742 -30.694 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.328 8.794 -31.889 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.636 9.092 -31.427 1.00 0.00 H new ATOM 560 N CYS A 39 -7.450 8.710 -27.818 1.00 0.00 N ATOM 561 CA CYS A 39 -6.628 8.528 -26.628 1.00 0.00 C ATOM 562 C CYS A 39 -5.303 7.858 -26.980 1.00 0.00 C ATOM 563 O CYS A 39 -5.259 6.932 -27.790 1.00 0.00 O ATOM 564 CB CYS A 39 -7.375 7.690 -25.589 1.00 0.00 C ATOM 565 SG CYS A 39 -6.423 7.368 -24.069 1.00 0.00 S ATOM 0 H CYS A 39 -8.273 8.109 -27.857 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.418 9.512 -26.208 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.301 8.200 -25.324 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.654 6.737 -26.039 1.00 0.00 H new ATOM 0 HG CYS A 39 -7.215 6.897 -23.152 1.00 0.00 H new ATOM 570 N ASP A 40 -4.225 8.333 -26.366 1.00 0.00 N ATOM 571 CA ASP A 40 -2.898 7.779 -26.612 1.00 0.00 C ATOM 572 C ASP A 40 -2.618 6.604 -25.682 1.00 0.00 C ATOM 573 O ASP A 40 -1.463 6.250 -25.443 1.00 0.00 O ATOM 574 CB ASP A 40 -1.830 8.858 -26.427 1.00 0.00 C ATOM 575 CG ASP A 40 -1.514 9.587 -27.718 1.00 0.00 C ATOM 576 OD1 ASP A 40 -1.495 8.931 -28.781 1.00 0.00 O ATOM 577 OD2 ASP A 40 -1.284 10.814 -27.666 1.00 0.00 O ATOM 0 H ASP A 40 -4.244 9.100 -25.694 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.866 7.419 -27.641 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.169 9.577 -25.681 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.920 8.401 -26.039 1.00 0.00 H new ATOM 582 N TYR A 41 -3.681 6.004 -25.158 1.00 0.00 N ATOM 583 CA TYR A 41 -3.550 4.870 -24.251 1.00 0.00 C ATOM 584 C TYR A 41 -4.461 3.723 -24.677 1.00 0.00 C ATOM 585 O TYR A 41 -4.130 2.551 -24.496 1.00 0.00 O ATOM 586 CB TYR A 41 -3.881 5.295 -22.819 1.00 0.00 C ATOM 587 CG TYR A 41 -2.983 6.390 -22.290 1.00 0.00 C ATOM 588 CD1 TYR A 41 -2.948 7.640 -22.894 1.00 0.00 C ATOM 589 CD2 TYR A 41 -2.170 6.174 -21.183 1.00 0.00 C ATOM 590 CE1 TYR A 41 -2.128 8.643 -22.414 1.00 0.00 C ATOM 591 CE2 TYR A 41 -1.349 7.172 -20.695 1.00 0.00 C ATOM 592 CZ TYR A 41 -1.331 8.404 -21.314 1.00 0.00 C ATOM 593 OH TYR A 41 -0.514 9.401 -20.832 1.00 0.00 O ATOM 0 H TYR A 41 -4.644 6.284 -25.346 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.517 4.523 -24.291 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.916 5.635 -22.780 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.805 4.427 -22.164 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.573 7.831 -23.754 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.181 5.210 -20.697 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.111 9.609 -22.897 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.725 6.988 -19.833 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.020 9.071 -20.053 1.00 0.00 H new ATOM 603 N CYS A 42 -5.612 4.069 -25.244 1.00 0.00 N ATOM 604 CA CYS A 42 -6.573 3.071 -25.697 1.00 0.00 C ATOM 605 C CYS A 42 -7.273 3.530 -26.973 1.00 0.00 C ATOM 606 O CYS A 42 -6.994 4.610 -27.493 1.00 0.00 O ATOM 607 CB CYS A 42 -7.608 2.797 -24.604 1.00 0.00 C ATOM 608 SG CYS A 42 -8.636 4.238 -24.175 1.00 0.00 S ATOM 0 H CYS A 42 -5.902 5.034 -25.401 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.030 2.151 -25.913 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.258 1.985 -24.929 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.092 2.453 -23.708 1.00 0.00 H new ATOM 0 HG CYS A 42 -7.898 5.308 -24.156 1.00 0.00 H new ATOM 613 N SER A 43 -8.185 2.701 -27.471 1.00 0.00 N ATOM 614 CA SER A 43 -8.923 3.019 -28.688 1.00 0.00 C ATOM 615 C SER A 43 -10.097 3.946 -28.385 1.00 0.00 C ATOM 616 O SER A 43 -11.174 3.813 -28.965 1.00 0.00 O ATOM 617 CB SER A 43 -9.430 1.737 -29.352 1.00 0.00 C ATOM 618 OG SER A 43 -8.465 1.211 -30.246 1.00 0.00 O ATOM 0 H SER A 43 -8.430 1.805 -27.051 1.00 0.00 H new ATOM 0 HA SER A 43 -8.245 3.530 -29.371 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.665 0.996 -28.588 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.355 1.944 -29.890 1.00 0.00 H new ATOM 0 HG SER A 43 -8.812 0.391 -30.656 1.00 0.00 H new ATOM 624 N PHE A 44 -9.879 4.885 -27.470 1.00 0.00 N ATOM 625 CA PHE A 44 -10.918 5.835 -27.088 1.00 0.00 C ATOM 626 C PHE A 44 -10.880 7.072 -27.981 1.00 0.00 C ATOM 627 O PHE A 44 -9.825 7.451 -28.492 1.00 0.00 O ATOM 628 CB PHE A 44 -10.750 6.244 -25.623 1.00 0.00 C ATOM 629 CG PHE A 44 -11.598 7.419 -25.228 1.00 0.00 C ATOM 630 CD1 PHE A 44 -11.170 8.713 -25.477 1.00 0.00 C ATOM 631 CD2 PHE A 44 -12.822 7.230 -24.607 1.00 0.00 C ATOM 632 CE1 PHE A 44 -11.948 9.797 -25.115 1.00 0.00 C ATOM 633 CE2 PHE A 44 -13.604 8.309 -24.244 1.00 0.00 C ATOM 634 CZ PHE A 44 -13.167 9.595 -24.497 1.00 0.00 C ATOM 0 H PHE A 44 -8.993 5.009 -26.980 1.00 0.00 H new ATOM 0 HA PHE A 44 -11.885 5.348 -27.214 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -11.000 5.395 -24.986 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.703 6.484 -25.439 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.218 8.877 -25.959 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -13.169 6.227 -24.404 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.603 10.801 -25.315 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.557 8.147 -23.762 1.00 0.00 H new ATOM 0 HZ PHE A 44 -13.777 10.440 -24.212 1.00 0.00 H new ATOM 644 N THR A 45 -12.038 7.697 -28.166 1.00 0.00 N ATOM 645 CA THR A 45 -12.139 8.889 -28.998 1.00 0.00 C ATOM 646 C THR A 45 -13.253 9.808 -28.509 1.00 0.00 C ATOM 647 O THR A 45 -14.251 9.348 -27.952 1.00 0.00 O ATOM 648 CB THR A 45 -12.399 8.525 -30.472 1.00 0.00 C ATOM 649 OG1 THR A 45 -13.442 7.548 -30.558 1.00 0.00 O ATOM 650 CG2 THR A 45 -11.137 7.987 -31.127 1.00 0.00 C ATOM 0 H THR A 45 -12.920 7.397 -27.750 1.00 0.00 H new ATOM 0 HA THR A 45 -11.184 9.409 -28.923 1.00 0.00 H new ATOM 0 HB THR A 45 -12.705 9.429 -30.999 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.603 7.323 -31.498 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.345 7.737 -32.167 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.354 8.744 -31.086 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.805 7.093 -30.598 1.00 0.00 H new ATOM 658 N CYS A 46 -13.077 11.107 -28.720 1.00 0.00 N ATOM 659 CA CYS A 46 -14.068 12.092 -28.301 1.00 0.00 C ATOM 660 C CYS A 46 -14.054 13.306 -29.224 1.00 0.00 C ATOM 661 O CYS A 46 -13.071 13.555 -29.924 1.00 0.00 O ATOM 662 CB CYS A 46 -13.805 12.528 -26.859 1.00 0.00 C ATOM 663 SG CYS A 46 -15.135 13.515 -26.132 1.00 0.00 S ATOM 0 H CYS A 46 -12.257 11.503 -29.179 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.052 11.628 -28.359 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.648 11.641 -26.245 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -12.880 13.105 -26.828 1.00 0.00 H new ATOM 0 HG CYS A 46 -15.315 13.156 -24.895 1.00 0.00 H new ATOM 669 N LEU A 47 -15.148 14.058 -29.220 1.00 0.00 N ATOM 670 CA LEU A 47 -15.263 15.247 -30.059 1.00 0.00 C ATOM 671 C LEU A 47 -14.939 16.507 -29.263 1.00 0.00 C ATOM 672 O LEU A 47 -15.534 17.562 -29.484 1.00 0.00 O ATOM 673 CB LEU A 47 -16.672 15.348 -30.645 1.00 0.00 C ATOM 674 CG LEU A 47 -16.904 14.610 -31.964 1.00 0.00 C ATOM 675 CD1 LEU A 47 -15.997 15.162 -33.052 1.00 0.00 C ATOM 676 CD2 LEU A 47 -16.678 13.115 -31.786 1.00 0.00 C ATOM 0 H LEU A 47 -15.969 13.866 -28.645 1.00 0.00 H new ATOM 0 HA LEU A 47 -14.544 15.158 -30.873 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.379 14.966 -29.908 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.907 16.402 -30.795 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.939 14.767 -32.268 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -16.177 14.624 -33.983 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.208 16.221 -33.198 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -14.956 15.037 -32.756 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.848 12.606 -32.735 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.654 12.938 -31.457 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.371 12.729 -31.038 1.00 0.00 H new ATOM 688 N SER A 48 -13.991 16.390 -28.339 1.00 0.00 N ATOM 689 CA SER A 48 -13.589 17.520 -27.509 1.00 0.00 C ATOM 690 C SER A 48 -12.240 17.255 -26.847 1.00 0.00 C ATOM 691 O SER A 48 -12.139 16.464 -25.910 1.00 0.00 O ATOM 692 CB SER A 48 -14.648 17.798 -26.441 1.00 0.00 C ATOM 693 OG SER A 48 -14.289 18.914 -25.645 1.00 0.00 O ATOM 0 H SER A 48 -13.487 15.524 -28.146 1.00 0.00 H new ATOM 0 HA SER A 48 -13.493 18.395 -28.152 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.611 17.982 -26.918 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.769 16.919 -25.807 1.00 0.00 H new ATOM 0 HG SER A 48 -14.983 19.072 -24.971 1.00 0.00 H new ATOM 699 N LYS A 49 -11.204 17.924 -27.343 1.00 0.00 N ATOM 700 CA LYS A 49 -9.860 17.764 -26.801 1.00 0.00 C ATOM 701 C LYS A 49 -9.875 17.834 -25.277 1.00 0.00 C ATOM 702 O LYS A 49 -9.342 16.957 -24.600 1.00 0.00 O ATOM 703 CB LYS A 49 -8.930 18.841 -27.362 1.00 0.00 C ATOM 704 CG LYS A 49 -9.524 20.238 -27.324 1.00 0.00 C ATOM 705 CD LYS A 49 -8.669 21.230 -28.094 1.00 0.00 C ATOM 706 CE LYS A 49 -7.443 21.647 -27.296 1.00 0.00 C ATOM 707 NZ LYS A 49 -6.488 22.439 -28.119 1.00 0.00 N ATOM 0 H LYS A 49 -11.270 18.582 -28.120 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.491 16.783 -27.098 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.999 18.836 -26.796 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.678 18.591 -28.392 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.529 20.218 -27.746 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.619 20.566 -26.289 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.356 20.785 -29.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.263 22.111 -28.338 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.754 22.236 -26.434 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.941 20.759 -26.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.666 22.704 -27.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.171 21.868 -28.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.959 23.299 -28.465 1.00 0.00 H new ATOM 721 N GLY A 50 -10.492 18.885 -24.744 1.00 0.00 N ATOM 722 CA GLY A 50 -10.567 19.049 -23.304 1.00 0.00 C ATOM 723 C GLY A 50 -10.958 17.768 -22.594 1.00 0.00 C ATOM 724 O GLY A 50 -10.262 17.318 -21.682 1.00 0.00 O ATOM 0 H GLY A 50 -10.941 19.625 -25.284 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.601 19.388 -22.929 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.292 19.828 -23.067 1.00 0.00 H new ATOM 728 N HIS A 51 -12.074 17.179 -23.010 1.00 0.00 N ATOM 729 CA HIS A 51 -12.557 15.942 -22.406 1.00 0.00 C ATOM 730 C HIS A 51 -11.471 14.870 -22.421 1.00 0.00 C ATOM 731 O HIS A 51 -11.143 14.289 -21.386 1.00 0.00 O ATOM 732 CB HIS A 51 -13.796 15.438 -23.146 1.00 0.00 C ATOM 733 CG HIS A 51 -14.370 14.181 -22.567 1.00 0.00 C ATOM 734 ND1 HIS A 51 -15.725 13.965 -22.431 1.00 0.00 N ATOM 735 CD2 HIS A 51 -13.763 13.069 -22.090 1.00 0.00 C ATOM 736 CE1 HIS A 51 -15.927 12.775 -21.894 1.00 0.00 C ATOM 737 NE2 HIS A 51 -14.752 12.211 -21.678 1.00 0.00 N ATOM 0 H HIS A 51 -12.661 17.538 -23.763 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.822 16.152 -21.370 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -14.559 16.216 -23.132 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.539 15.263 -24.191 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -12.699 12.890 -22.042 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.889 12.338 -21.670 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -14.604 11.288 -21.271 1.00 0.00 H new ATOM 745 N LEU A 52 -10.917 14.613 -23.601 1.00 0.00 N ATOM 746 CA LEU A 52 -9.868 13.610 -23.751 1.00 0.00 C ATOM 747 C LEU A 52 -8.885 13.671 -22.586 1.00 0.00 C ATOM 748 O LEU A 52 -8.538 12.647 -21.998 1.00 0.00 O ATOM 749 CB LEU A 52 -9.124 13.816 -25.072 1.00 0.00 C ATOM 750 CG LEU A 52 -7.815 13.041 -25.233 1.00 0.00 C ATOM 751 CD1 LEU A 52 -8.056 11.548 -25.072 1.00 0.00 C ATOM 752 CD2 LEU A 52 -7.182 13.339 -26.585 1.00 0.00 C ATOM 0 H LEU A 52 -11.176 15.085 -24.467 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.338 12.626 -23.755 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.790 13.538 -25.888 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.910 14.879 -25.183 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.125 13.363 -24.453 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.114 11.013 -25.190 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.464 11.350 -24.081 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.763 11.210 -25.830 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.252 12.779 -26.682 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.867 13.045 -27.380 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.973 14.406 -26.662 1.00 0.00 H new ATOM 764 N LYS A 53 -8.442 14.879 -22.256 1.00 0.00 N ATOM 765 CA LYS A 53 -7.502 15.076 -21.158 1.00 0.00 C ATOM 766 C LYS A 53 -8.021 14.434 -19.876 1.00 0.00 C ATOM 767 O LYS A 53 -7.285 13.739 -19.175 1.00 0.00 O ATOM 768 CB LYS A 53 -7.257 16.569 -20.931 1.00 0.00 C ATOM 769 CG LYS A 53 -6.642 16.886 -19.579 1.00 0.00 C ATOM 770 CD LYS A 53 -6.497 18.384 -19.369 1.00 0.00 C ATOM 771 CE LYS A 53 -7.719 18.971 -18.680 1.00 0.00 C ATOM 772 NZ LYS A 53 -7.907 18.413 -17.313 1.00 0.00 N ATOM 0 H LYS A 53 -8.719 15.737 -22.733 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.561 14.597 -21.428 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.601 16.944 -21.716 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.203 17.102 -21.024 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.263 16.465 -18.788 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.664 16.411 -19.503 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.609 18.584 -18.770 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.350 18.875 -20.331 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.616 20.054 -18.619 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.606 18.769 -19.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.411 19.104 -16.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.462 17.535 -17.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.979 18.209 -16.891 1.00 0.00 H new ATOM 786 N VAL A 54 -9.294 14.670 -19.574 1.00 0.00 N ATOM 787 CA VAL A 54 -9.912 14.113 -18.377 1.00 0.00 C ATOM 788 C VAL A 54 -9.978 12.591 -18.450 1.00 0.00 C ATOM 789 O VAL A 54 -9.728 11.900 -17.462 1.00 0.00 O ATOM 790 CB VAL A 54 -11.334 14.667 -18.170 1.00 0.00 C ATOM 791 CG1 VAL A 54 -11.991 14.015 -16.963 1.00 0.00 C ATOM 792 CG2 VAL A 54 -11.298 16.180 -18.015 1.00 0.00 C ATOM 0 H VAL A 54 -9.917 15.243 -20.142 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.288 14.407 -17.533 1.00 0.00 H new ATOM 0 HB VAL A 54 -11.930 14.428 -19.051 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -12.995 14.419 -16.833 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.051 12.938 -17.119 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.399 14.220 -16.071 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.311 16.555 -17.870 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.686 16.443 -17.152 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.871 16.628 -18.912 1.00 0.00 H new ATOM 802 N HIS A 55 -10.315 12.074 -19.628 1.00 0.00 N ATOM 803 CA HIS A 55 -10.413 10.633 -19.830 1.00 0.00 C ATOM 804 C HIS A 55 -9.146 9.930 -19.351 1.00 0.00 C ATOM 805 O HIS A 55 -9.210 8.856 -18.753 1.00 0.00 O ATOM 806 CB HIS A 55 -10.656 10.320 -21.307 1.00 0.00 C ATOM 807 CG HIS A 55 -10.265 8.928 -21.696 1.00 0.00 C ATOM 808 ND1 HIS A 55 -11.099 7.840 -21.539 1.00 0.00 N ATOM 809 CD2 HIS A 55 -9.122 8.448 -22.240 1.00 0.00 C ATOM 810 CE1 HIS A 55 -10.485 6.752 -21.968 1.00 0.00 C ATOM 811 NE2 HIS A 55 -9.284 7.094 -22.399 1.00 0.00 N ATOM 0 H HIS A 55 -10.525 12.631 -20.456 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.255 10.265 -19.244 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -11.712 10.468 -21.532 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.097 11.030 -21.917 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -12.042 7.871 -21.152 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.246 9.023 -22.500 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.895 5.753 -21.967 1.00 0.00 H new ATOM 819 N ILE A 56 -7.998 10.544 -19.617 1.00 0.00 N ATOM 820 CA ILE A 56 -6.718 9.976 -19.213 1.00 0.00 C ATOM 821 C ILE A 56 -6.457 10.211 -17.729 1.00 0.00 C ATOM 822 O ILE A 56 -5.946 9.334 -17.032 1.00 0.00 O ATOM 823 CB ILE A 56 -5.555 10.573 -20.027 1.00 0.00 C ATOM 824 CG1 ILE A 56 -5.783 10.348 -21.523 1.00 0.00 C ATOM 825 CG2 ILE A 56 -4.233 9.961 -19.589 1.00 0.00 C ATOM 826 CD1 ILE A 56 -5.160 11.414 -22.397 1.00 0.00 C ATOM 0 H ILE A 56 -7.928 11.434 -20.110 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.773 8.905 -19.405 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.515 11.646 -19.842 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.375 9.377 -21.802 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.855 10.311 -21.717 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.421 10.393 -20.173 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.069 10.168 -18.531 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.261 8.883 -19.748 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.362 11.190 -23.444 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.586 12.385 -22.145 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.083 11.436 -22.232 1.00 0.00 H new ATOM 838 N GLU A 57 -6.814 11.399 -17.251 1.00 0.00 N ATOM 839 CA GLU A 57 -6.620 11.748 -15.849 1.00 0.00 C ATOM 840 C GLU A 57 -7.557 10.943 -14.953 1.00 0.00 C ATOM 841 O GLU A 57 -7.381 10.897 -13.735 1.00 0.00 O ATOM 842 CB GLU A 57 -6.853 13.245 -15.635 1.00 0.00 C ATOM 843 CG GLU A 57 -5.934 14.128 -16.463 1.00 0.00 C ATOM 844 CD GLU A 57 -4.662 14.500 -15.725 1.00 0.00 C ATOM 845 OE1 GLU A 57 -3.912 13.581 -15.335 1.00 0.00 O ATOM 846 OE2 GLU A 57 -4.418 15.710 -15.538 1.00 0.00 O ATOM 0 H GLU A 57 -7.239 12.136 -17.814 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.592 11.506 -15.581 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.888 13.482 -15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.714 13.479 -14.579 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.676 13.611 -17.387 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.466 15.037 -16.744 1.00 0.00 H new ATOM 853 N ARG A 58 -8.553 10.311 -15.565 1.00 0.00 N ATOM 854 CA ARG A 58 -9.519 9.510 -14.823 1.00 0.00 C ATOM 855 C ARG A 58 -9.336 8.024 -15.121 1.00 0.00 C ATOM 856 O ARG A 58 -9.474 7.181 -14.234 1.00 0.00 O ATOM 857 CB ARG A 58 -10.945 9.938 -15.174 1.00 0.00 C ATOM 858 CG ARG A 58 -11.516 9.221 -16.386 1.00 0.00 C ATOM 859 CD ARG A 58 -12.753 9.928 -16.920 1.00 0.00 C ATOM 860 NE ARG A 58 -13.929 9.671 -16.094 1.00 0.00 N ATOM 861 CZ ARG A 58 -14.817 8.718 -16.355 1.00 0.00 C ATOM 862 NH1 ARG A 58 -14.663 7.936 -17.415 1.00 0.00 N ATOM 863 NH2 ARG A 58 -15.862 8.546 -15.556 1.00 0.00 N ATOM 0 H ARG A 58 -8.712 10.338 -16.572 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.348 9.674 -13.759 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.592 9.754 -14.316 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.958 11.012 -15.359 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.759 9.168 -17.169 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.769 8.195 -16.118 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.567 11.001 -16.962 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.947 9.598 -17.940 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.077 10.255 -15.271 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.861 8.066 -18.032 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.346 7.205 -17.613 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.984 9.146 -14.740 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.543 7.814 -15.758 1.00 0.00 H new ATOM 877 N VAL A 59 -9.025 7.711 -16.374 1.00 0.00 N ATOM 878 CA VAL A 59 -8.822 6.328 -16.789 1.00 0.00 C ATOM 879 C VAL A 59 -7.360 5.920 -16.646 1.00 0.00 C ATOM 880 O VAL A 59 -7.023 5.042 -15.851 1.00 0.00 O ATOM 881 CB VAL A 59 -9.265 6.108 -18.248 1.00 0.00 C ATOM 882 CG1 VAL A 59 -9.043 4.661 -18.661 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.722 6.506 -18.427 1.00 0.00 C ATOM 0 H VAL A 59 -8.908 8.397 -17.120 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.435 5.708 -16.134 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.657 6.741 -18.894 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.362 4.525 -19.694 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.985 4.416 -18.572 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.623 4.004 -18.013 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.019 6.344 -19.463 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.348 5.900 -17.772 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.845 7.559 -18.174 1.00 0.00 H new ATOM 893 N HIS A 60 -6.493 6.564 -17.422 1.00 0.00 N ATOM 894 CA HIS A 60 -5.065 6.270 -17.382 1.00 0.00 C ATOM 895 C HIS A 60 -4.323 7.293 -16.527 1.00 0.00 C ATOM 896 O HIS A 60 -3.365 7.919 -16.981 1.00 0.00 O ATOM 897 CB HIS A 60 -4.486 6.254 -18.797 1.00 0.00 C ATOM 898 CG HIS A 60 -5.396 5.630 -19.809 1.00 0.00 C ATOM 899 ND1 HIS A 60 -5.404 4.278 -20.082 1.00 0.00 N ATOM 900 CD2 HIS A 60 -6.333 6.180 -20.616 1.00 0.00 C ATOM 901 CE1 HIS A 60 -6.305 4.024 -21.014 1.00 0.00 C ATOM 902 NE2 HIS A 60 -6.884 5.162 -21.354 1.00 0.00 N ATOM 0 H HIS A 60 -6.755 7.293 -18.086 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.935 5.285 -16.933 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.264 7.277 -19.102 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.540 5.712 -18.788 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.598 7.226 -20.669 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.530 3.052 -21.428 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.621 5.267 -22.052 1.00 0.00 H new ATOM 910 N LYS A 61 -4.773 7.459 -15.288 1.00 0.00 N ATOM 911 CA LYS A 61 -4.153 8.405 -14.368 1.00 0.00 C ATOM 912 C LYS A 61 -2.976 7.764 -13.639 1.00 0.00 C ATOM 913 O LYS A 61 -2.978 6.562 -13.374 1.00 0.00 O ATOM 914 CB LYS A 61 -5.181 8.911 -13.354 1.00 0.00 C ATOM 915 CG LYS A 61 -5.448 7.936 -12.221 1.00 0.00 C ATOM 916 CD LYS A 61 -4.537 8.197 -11.034 1.00 0.00 C ATOM 917 CE LYS A 61 -5.179 9.150 -10.037 1.00 0.00 C ATOM 918 NZ LYS A 61 -4.553 9.048 -8.690 1.00 0.00 N ATOM 0 H LYS A 61 -5.566 6.950 -14.897 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.781 9.248 -14.950 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.832 9.855 -12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.117 9.119 -13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.489 8.018 -11.907 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.302 6.916 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.303 7.254 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.593 8.616 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.089 10.173 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.244 8.932 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.018 9.713 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.661 8.078 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.542 9.281 -8.759 1.00 0.00 H new ATOM 995 N GLN A 65 5.284 3.693 -16.025 1.00 0.00 N ATOM 996 CA GLN A 65 6.074 3.435 -17.223 1.00 0.00 C ATOM 997 C GLN A 65 7.283 2.564 -16.901 1.00 0.00 C ATOM 998 O GLN A 65 7.941 2.751 -15.877 1.00 0.00 O ATOM 999 CB GLN A 65 6.532 4.753 -17.851 1.00 0.00 C ATOM 1000 CG GLN A 65 5.385 5.643 -18.301 1.00 0.00 C ATOM 1001 CD GLN A 65 4.723 5.145 -19.571 1.00 0.00 C ATOM 1002 OE1 GLN A 65 4.575 3.940 -19.776 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.319 6.073 -20.431 1.00 0.00 N ATOM 0 HA GLN A 65 5.444 2.901 -17.935 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.142 5.297 -17.130 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.170 4.535 -18.708 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.641 5.700 -17.506 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.757 6.655 -18.462 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.462 7.061 -20.220 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.866 5.798 -21.302 1.00 0.00 H new ATOM 1012 N HIS A 66 7.572 1.612 -17.782 1.00 0.00 N ATOM 1013 CA HIS A 66 8.704 0.711 -17.592 1.00 0.00 C ATOM 1014 C HIS A 66 9.545 0.619 -18.861 1.00 0.00 C ATOM 1015 O HIS A 66 9.101 0.077 -19.874 1.00 0.00 O ATOM 1016 CB HIS A 66 8.214 -0.680 -17.188 1.00 0.00 C ATOM 1017 CG HIS A 66 7.554 -1.429 -18.305 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.193 -1.412 -18.521 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.078 -2.220 -19.271 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.907 -2.162 -19.571 1.00 0.00 C ATOM 1021 NE2 HIS A 66 7.033 -2.663 -20.045 1.00 0.00 N ATOM 0 H HIS A 66 7.038 1.444 -18.635 1.00 0.00 H new ATOM 0 HA HIS A 66 9.327 1.114 -16.794 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.059 -1.262 -16.821 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.511 -0.583 -16.361 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.123 -2.458 -19.408 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.920 -2.336 -19.973 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.114 -3.279 -20.854 1.00 0.00 H new ATOM 1029 N CYS A 67 10.760 1.152 -18.800 1.00 0.00 N ATOM 1030 CA CYS A 67 11.663 1.131 -19.945 1.00 0.00 C ATOM 1031 C CYS A 67 11.699 -0.254 -20.584 1.00 0.00 C ATOM 1032 O CYS A 67 11.335 -1.248 -19.957 1.00 0.00 O ATOM 1033 CB CYS A 67 13.073 1.544 -19.516 1.00 0.00 C ATOM 1034 SG CYS A 67 14.216 1.839 -20.904 1.00 0.00 S ATOM 0 H CYS A 67 11.143 1.604 -17.970 1.00 0.00 H new ATOM 0 HA CYS A 67 11.292 1.842 -20.683 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.007 2.451 -18.914 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.489 0.766 -18.876 1.00 0.00 H new ATOM 0 HG CYS A 67 14.642 3.067 -20.862 1.00 0.00 H new ATOM 1039 N ARG A 68 12.142 -0.310 -21.836 1.00 0.00 N ATOM 1040 CA ARG A 68 12.225 -1.572 -22.561 1.00 0.00 C ATOM 1041 C ARG A 68 13.679 -1.985 -22.768 1.00 0.00 C ATOM 1042 O ARG A 68 13.972 -3.150 -23.042 1.00 0.00 O ATOM 1043 CB ARG A 68 11.519 -1.455 -23.913 1.00 0.00 C ATOM 1044 CG ARG A 68 12.279 -0.615 -24.926 1.00 0.00 C ATOM 1045 CD ARG A 68 12.092 -1.143 -26.340 1.00 0.00 C ATOM 1046 NE ARG A 68 12.647 -0.235 -27.341 1.00 0.00 N ATOM 1047 CZ ARG A 68 12.788 -0.553 -28.623 1.00 0.00 C ATOM 1048 NH1 ARG A 68 12.418 -1.749 -29.058 1.00 0.00 N ATOM 1049 NH2 ARG A 68 13.301 0.328 -29.473 1.00 0.00 N ATOM 0 H ARG A 68 12.449 0.504 -22.369 1.00 0.00 H new ATOM 0 HA ARG A 68 11.729 -2.338 -21.965 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.368 -2.454 -24.322 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.531 -1.020 -23.761 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.936 0.418 -24.874 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.340 -0.612 -24.675 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.571 -2.118 -26.429 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.030 -1.291 -26.534 1.00 0.00 H new ATOM 0 HE ARG A 68 12.942 0.693 -27.039 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.024 -2.429 -28.408 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.528 -1.990 -30.043 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.587 1.249 -29.142 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.409 0.084 -30.457 1.00 0.00 H new ATOM 1063 N PHE A 69 14.587 -1.024 -22.636 1.00 0.00 N ATOM 1064 CA PHE A 69 16.010 -1.287 -22.810 1.00 0.00 C ATOM 1065 C PHE A 69 16.594 -1.964 -21.574 1.00 0.00 C ATOM 1066 O PHE A 69 17.178 -3.045 -21.660 1.00 0.00 O ATOM 1067 CB PHE A 69 16.761 0.016 -23.094 1.00 0.00 C ATOM 1068 CG PHE A 69 16.181 0.806 -24.232 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.191 0.298 -25.521 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.626 2.056 -24.013 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.659 1.023 -26.570 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.092 2.786 -25.058 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.107 2.268 -26.339 1.00 0.00 C ATOM 0 H PHE A 69 14.362 -0.055 -22.409 1.00 0.00 H new ATOM 0 HA PHE A 69 16.127 -1.959 -23.660 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.756 0.632 -22.195 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.803 -0.215 -23.316 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.619 -0.676 -25.708 1.00 0.00 H new ATOM 0 HD2 PHE A 69 15.610 2.465 -23.014 1.00 0.00 H new ATOM 0 HE1 PHE A 69 15.675 0.616 -27.570 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.664 3.760 -24.874 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.688 2.835 -27.157 1.00 0.00 H new ATOM 1083 N CYS A 70 16.431 -1.321 -20.422 1.00 0.00 N ATOM 1084 CA CYS A 70 16.941 -1.859 -19.167 1.00 0.00 C ATOM 1085 C CYS A 70 15.801 -2.370 -18.291 1.00 0.00 C ATOM 1086 O CYS A 70 16.030 -2.940 -17.224 1.00 0.00 O ATOM 1087 CB CYS A 70 17.736 -0.789 -18.415 1.00 0.00 C ATOM 1088 SG CYS A 70 16.813 0.754 -18.121 1.00 0.00 S ATOM 0 H CYS A 70 15.949 -0.426 -20.332 1.00 0.00 H new ATOM 0 HA CYS A 70 17.600 -2.695 -19.400 1.00 0.00 H new ATOM 0 HB2 CYS A 70 18.056 -1.196 -17.456 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.639 -0.558 -18.981 1.00 0.00 H new ATOM 0 HG CYS A 70 17.247 1.319 -17.034 1.00 0.00 H new ATOM 1093 N LYS A 71 14.571 -2.162 -18.749 1.00 0.00 N ATOM 1094 CA LYS A 71 13.394 -2.602 -18.010 1.00 0.00 C ATOM 1095 C LYS A 71 13.259 -1.838 -16.697 1.00 0.00 C ATOM 1096 O LYS A 71 12.703 -2.348 -15.723 1.00 0.00 O ATOM 1097 CB LYS A 71 13.474 -4.105 -17.731 1.00 0.00 C ATOM 1098 CG LYS A 71 13.589 -4.951 -18.987 1.00 0.00 C ATOM 1099 CD LYS A 71 12.247 -5.103 -19.683 1.00 0.00 C ATOM 1100 CE LYS A 71 12.272 -6.231 -20.702 1.00 0.00 C ATOM 1101 NZ LYS A 71 12.993 -5.840 -21.945 1.00 0.00 N ATOM 0 H LYS A 71 14.364 -1.691 -19.630 1.00 0.00 H new ATOM 0 HA LYS A 71 12.515 -2.398 -18.621 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.334 -4.302 -17.090 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.587 -4.411 -17.177 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.304 -4.493 -19.670 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.979 -5.935 -18.729 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.472 -5.298 -18.942 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.986 -4.169 -20.180 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.752 -7.106 -20.264 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.250 -6.519 -20.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.421 -6.098 -22.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.156 -4.813 -21.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.907 -6.335 -21.987 1.00 0.00 H new ATOM 1115 N LYS A 72 13.769 -0.611 -16.676 1.00 0.00 N ATOM 1116 CA LYS A 72 13.703 0.226 -15.484 1.00 0.00 C ATOM 1117 C LYS A 72 12.329 0.875 -15.350 1.00 0.00 C ATOM 1118 O LYS A 72 11.858 1.551 -16.265 1.00 0.00 O ATOM 1119 CB LYS A 72 14.786 1.306 -15.534 1.00 0.00 C ATOM 1120 CG LYS A 72 14.969 2.044 -14.219 1.00 0.00 C ATOM 1121 CD LYS A 72 16.067 1.417 -13.376 1.00 0.00 C ATOM 1122 CE LYS A 72 15.840 1.664 -11.892 1.00 0.00 C ATOM 1123 NZ LYS A 72 16.496 2.920 -11.433 1.00 0.00 N ATOM 0 H LYS A 72 14.233 -0.174 -17.472 1.00 0.00 H new ATOM 0 HA LYS A 72 13.871 -0.409 -14.615 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.733 0.847 -15.818 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.534 2.026 -16.313 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.212 3.088 -14.417 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.032 2.035 -13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.105 0.344 -13.566 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.033 1.827 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.770 1.719 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.228 0.821 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.318 3.053 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.521 2.858 -11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.108 3.727 -11.961 1.00 0.00 H new ATOM 1137 N LYS A 73 11.690 0.666 -14.204 1.00 0.00 N ATOM 1138 CA LYS A 73 10.371 1.233 -13.948 1.00 0.00 C ATOM 1139 C LYS A 73 10.480 2.694 -13.525 1.00 0.00 C ATOM 1140 O LYS A 73 11.504 3.122 -12.993 1.00 0.00 O ATOM 1141 CB LYS A 73 9.650 0.429 -12.864 1.00 0.00 C ATOM 1142 CG LYS A 73 8.703 -0.623 -13.415 1.00 0.00 C ATOM 1143 CD LYS A 73 7.343 -0.030 -13.746 1.00 0.00 C ATOM 1144 CE LYS A 73 6.270 -1.105 -13.821 1.00 0.00 C ATOM 1145 NZ LYS A 73 5.192 -0.747 -14.784 1.00 0.00 N ATOM 0 H LYS A 73 12.065 0.108 -13.437 1.00 0.00 H new ATOM 0 HA LYS A 73 9.795 1.183 -14.872 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.392 -0.058 -12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.089 1.114 -12.228 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.135 -1.069 -14.311 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.584 -1.424 -12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.071 0.705 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.397 0.499 -14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.723 -2.050 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.838 -1.256 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.314 -1.238 -14.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.034 0.281 -14.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.474 -1.033 -15.743 1.00 0.00 H new ATOM 1159 N TYR A 74 9.417 3.455 -13.763 1.00 0.00 N ATOM 1160 CA TYR A 74 9.393 4.868 -13.407 1.00 0.00 C ATOM 1161 C TYR A 74 7.971 5.331 -13.106 1.00 0.00 C ATOM 1162 O TYR A 74 7.044 5.065 -13.871 1.00 0.00 O ATOM 1163 CB TYR A 74 9.986 5.710 -14.539 1.00 0.00 C ATOM 1164 CG TYR A 74 11.498 5.705 -14.569 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.194 4.711 -15.246 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.229 6.693 -13.922 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.576 4.701 -15.276 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.610 6.692 -13.948 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.279 5.694 -14.626 1.00 0.00 C ATOM 1170 OH TYR A 74 15.655 5.689 -14.654 1.00 0.00 O ATOM 0 H TYR A 74 8.561 3.116 -14.201 1.00 0.00 H new ATOM 0 HA TYR A 74 9.996 5.000 -12.509 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.611 5.338 -15.492 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.636 6.737 -14.438 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.646 3.933 -15.757 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.709 7.475 -13.389 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.102 3.920 -15.805 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.163 7.468 -13.440 1.00 0.00 H new ATOM 0 HH TYR A 74 15.964 5.221 -15.458 1.00 0.00 H new ATOM 1180 N SER A 75 7.807 6.025 -11.984 1.00 0.00 N ATOM 1181 CA SER A 75 6.497 6.523 -11.578 1.00 0.00 C ATOM 1182 C SER A 75 5.938 7.491 -12.616 1.00 0.00 C ATOM 1183 O SER A 75 4.847 7.287 -13.147 1.00 0.00 O ATOM 1184 CB SER A 75 6.591 7.215 -10.217 1.00 0.00 C ATOM 1185 OG SER A 75 5.434 7.990 -9.958 1.00 0.00 O ATOM 0 H SER A 75 8.564 6.255 -11.340 1.00 0.00 H new ATOM 0 HA SER A 75 5.820 5.672 -11.499 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.715 6.468 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.474 7.854 -10.191 1.00 0.00 H new ATOM 0 HG SER A 75 5.519 8.862 -10.397 1.00 0.00 H new ATOM 1191 N ASP A 76 6.695 8.546 -12.900 1.00 0.00 N ATOM 1192 CA ASP A 76 6.277 9.546 -13.875 1.00 0.00 C ATOM 1193 C ASP A 76 7.051 9.390 -15.180 1.00 0.00 C ATOM 1194 O ASP A 76 8.271 9.225 -15.175 1.00 0.00 O ATOM 1195 CB ASP A 76 6.481 10.954 -13.312 1.00 0.00 C ATOM 1196 CG ASP A 76 5.467 11.301 -12.240 1.00 0.00 C ATOM 1197 OD1 ASP A 76 5.300 10.498 -11.299 1.00 0.00 O ATOM 1198 OD2 ASP A 76 4.839 12.377 -12.342 1.00 0.00 O ATOM 0 H ASP A 76 7.601 8.730 -12.469 1.00 0.00 H new ATOM 0 HA ASP A 76 5.218 9.395 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.486 11.034 -12.897 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.412 11.680 -14.122 1.00 0.00 H new ATOM 1203 N VAL A 77 6.333 9.442 -16.298 1.00 0.00 N ATOM 1204 CA VAL A 77 6.952 9.306 -17.611 1.00 0.00 C ATOM 1205 C VAL A 77 7.986 10.401 -17.847 1.00 0.00 C ATOM 1206 O VAL A 77 9.060 10.149 -18.393 1.00 0.00 O ATOM 1207 CB VAL A 77 5.901 9.356 -18.735 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.161 10.685 -18.715 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.556 9.122 -20.088 1.00 0.00 C ATOM 0 H VAL A 77 5.322 9.577 -16.320 1.00 0.00 H new ATOM 0 HA VAL A 77 7.446 8.334 -17.629 1.00 0.00 H new ATOM 0 HB VAL A 77 5.175 8.560 -18.566 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.422 10.702 -19.516 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.658 10.807 -17.756 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.871 11.499 -18.859 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.798 9.161 -20.871 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.304 9.894 -20.269 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.036 8.143 -20.096 1.00 0.00 H new ATOM 1219 N LYS A 78 7.655 11.619 -17.432 1.00 0.00 N ATOM 1220 CA LYS A 78 8.554 12.755 -17.596 1.00 0.00 C ATOM 1221 C LYS A 78 10.000 12.347 -17.330 1.00 0.00 C ATOM 1222 O LYS A 78 10.872 12.533 -18.177 1.00 0.00 O ATOM 1223 CB LYS A 78 8.152 13.891 -16.653 1.00 0.00 C ATOM 1224 CG LYS A 78 7.136 14.848 -17.252 1.00 0.00 C ATOM 1225 CD LYS A 78 6.483 15.709 -16.184 1.00 0.00 C ATOM 1226 CE LYS A 78 7.439 16.770 -15.663 1.00 0.00 C ATOM 1227 NZ LYS A 78 8.380 16.219 -14.648 1.00 0.00 N ATOM 0 H LYS A 78 6.769 11.845 -16.979 1.00 0.00 H new ATOM 0 HA LYS A 78 8.476 13.102 -18.626 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.741 13.464 -15.738 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.044 14.451 -16.371 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.626 15.487 -17.986 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.370 14.282 -17.782 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.594 16.188 -16.595 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.152 15.079 -15.359 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.006 17.188 -16.495 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.869 17.588 -15.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.417 16.856 -13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.051 15.281 -14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.329 16.135 -15.064 1.00 0.00 H new ATOM 1241 N ASN A 79 10.244 11.789 -16.149 1.00 0.00 N ATOM 1242 CA ASN A 79 11.584 11.354 -15.772 1.00 0.00 C ATOM 1243 C ASN A 79 12.095 10.278 -16.726 1.00 0.00 C ATOM 1244 O ASN A 79 13.190 10.393 -17.279 1.00 0.00 O ATOM 1245 CB ASN A 79 11.586 10.821 -14.338 1.00 0.00 C ATOM 1246 CG ASN A 79 11.541 11.933 -13.308 1.00 0.00 C ATOM 1247 OD1 ASN A 79 12.531 12.207 -12.629 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.388 12.581 -13.187 1.00 0.00 N ATOM 0 H ASN A 79 9.532 11.627 -15.437 1.00 0.00 H new ATOM 0 HA ASN A 79 12.249 12.216 -15.833 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.728 10.163 -14.196 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.480 10.218 -14.179 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.298 13.339 -12.511 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.593 12.321 -13.770 1.00 0.00 H new ATOM 1255 N LEU A 80 11.296 9.235 -16.915 1.00 0.00 N ATOM 1256 CA LEU A 80 11.666 8.138 -17.803 1.00 0.00 C ATOM 1257 C LEU A 80 12.291 8.667 -19.090 1.00 0.00 C ATOM 1258 O LEU A 80 13.308 8.152 -19.555 1.00 0.00 O ATOM 1259 CB LEU A 80 10.440 7.285 -18.131 1.00 0.00 C ATOM 1260 CG LEU A 80 10.656 6.159 -19.143 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.620 5.122 -18.589 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.329 5.513 -19.514 1.00 0.00 C ATOM 0 H LEU A 80 10.387 9.125 -16.465 1.00 0.00 H new ATOM 0 HA LEU A 80 12.403 7.521 -17.290 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.069 6.847 -17.204 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.657 7.941 -18.510 1.00 0.00 H new ATOM 0 HG LEU A 80 11.093 6.586 -20.045 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.762 4.328 -19.323 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.579 5.594 -18.375 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.211 4.699 -17.671 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.502 4.714 -20.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.863 5.100 -18.620 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.670 6.262 -19.954 1.00 0.00 H new ATOM 1274 N ILE A 81 11.677 9.699 -19.659 1.00 0.00 N ATOM 1275 CA ILE A 81 12.175 10.299 -20.891 1.00 0.00 C ATOM 1276 C ILE A 81 13.647 10.676 -20.762 1.00 0.00 C ATOM 1277 O ILE A 81 14.468 10.316 -21.606 1.00 0.00 O ATOM 1278 CB ILE A 81 11.366 11.553 -21.272 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.877 11.217 -21.367 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.870 12.128 -22.588 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.542 10.271 -22.499 1.00 0.00 C ATOM 0 H ILE A 81 10.834 10.137 -19.287 1.00 0.00 H new ATOM 0 HA ILE A 81 12.062 9.551 -21.676 1.00 0.00 H new ATOM 0 HB ILE A 81 11.500 12.304 -20.494 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.552 10.774 -20.426 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.312 12.140 -21.496 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.289 13.014 -22.844 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.921 12.400 -22.488 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.762 11.383 -23.376 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.469 10.077 -22.506 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.836 10.720 -23.448 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.079 9.333 -22.360 1.00 0.00 H new ATOM 1293 N LYS A 82 13.975 11.404 -19.699 1.00 0.00 N ATOM 1294 CA LYS A 82 15.348 11.828 -19.457 1.00 0.00 C ATOM 1295 C LYS A 82 16.252 10.626 -19.202 1.00 0.00 C ATOM 1296 O LYS A 82 17.390 10.582 -19.671 1.00 0.00 O ATOM 1297 CB LYS A 82 15.405 12.784 -18.263 1.00 0.00 C ATOM 1298 CG LYS A 82 16.504 13.827 -18.371 1.00 0.00 C ATOM 1299 CD LYS A 82 15.980 15.131 -18.950 1.00 0.00 C ATOM 1300 CE LYS A 82 16.007 15.115 -20.471 1.00 0.00 C ATOM 1301 NZ LYS A 82 15.316 16.301 -21.050 1.00 0.00 N ATOM 0 H LYS A 82 13.308 11.712 -18.992 1.00 0.00 H new ATOM 0 HA LYS A 82 15.704 12.346 -20.348 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.444 13.289 -18.167 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.553 12.205 -17.351 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.930 14.011 -17.385 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.308 13.446 -19.000 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.960 15.300 -18.605 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.583 15.962 -18.583 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.041 15.093 -20.816 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.530 14.204 -20.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.356 16.254 -22.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.323 16.309 -20.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.786 17.170 -20.725 1.00 0.00 H new ATOM 1315 N HIS A 83 15.738 9.652 -18.458 1.00 0.00 N ATOM 1316 CA HIS A 83 16.500 8.448 -18.143 1.00 0.00 C ATOM 1317 C HIS A 83 17.159 7.879 -19.396 1.00 0.00 C ATOM 1318 O HIS A 83 18.347 7.555 -19.390 1.00 0.00 O ATOM 1319 CB HIS A 83 15.590 7.395 -17.509 1.00 0.00 C ATOM 1320 CG HIS A 83 15.972 5.989 -17.852 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.031 5.331 -17.261 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.429 5.112 -18.729 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.124 4.112 -17.761 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.163 3.954 -18.654 1.00 0.00 N ATOM 0 H HIS A 83 14.798 9.672 -18.062 1.00 0.00 H new ATOM 0 HA HIS A 83 17.282 8.718 -17.433 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.610 7.514 -16.426 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.564 7.573 -17.830 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.577 5.290 -19.369 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.860 3.371 -17.487 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.994 3.109 -19.199 1.00 0.00 H new ATOM 1332 N ILE A 84 16.381 7.761 -20.467 1.00 0.00 N ATOM 1333 CA ILE A 84 16.891 7.232 -21.726 1.00 0.00 C ATOM 1334 C ILE A 84 17.944 8.158 -22.325 1.00 0.00 C ATOM 1335 O ILE A 84 19.015 7.713 -22.735 1.00 0.00 O ATOM 1336 CB ILE A 84 15.759 7.029 -22.750 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.719 6.048 -22.206 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.324 6.531 -24.072 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.351 6.207 -22.832 1.00 0.00 C ATOM 0 H ILE A 84 15.396 8.024 -20.488 1.00 0.00 H new ATOM 0 HA ILE A 84 17.345 6.267 -21.502 1.00 0.00 H new ATOM 0 HB ILE A 84 15.270 7.988 -22.924 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.070 5.030 -22.373 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.634 6.183 -21.128 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.512 6.392 -24.786 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.031 7.262 -24.464 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.835 5.581 -23.915 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.665 5.479 -22.398 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.979 7.214 -22.642 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.422 6.043 -23.907 1.00 0.00 H new ATOM 1351 N ARG A 85 17.631 9.449 -22.371 1.00 0.00 N ATOM 1352 CA ARG A 85 18.551 10.439 -22.920 1.00 0.00 C ATOM 1353 C ARG A 85 19.915 10.348 -22.242 1.00 0.00 C ATOM 1354 O ARG A 85 20.933 10.730 -22.820 1.00 0.00 O ATOM 1355 CB ARG A 85 17.978 11.847 -22.751 1.00 0.00 C ATOM 1356 CG ARG A 85 16.558 11.994 -23.272 1.00 0.00 C ATOM 1357 CD ARG A 85 16.542 12.459 -24.720 1.00 0.00 C ATOM 1358 NE ARG A 85 15.255 13.039 -25.094 1.00 0.00 N ATOM 1359 CZ ARG A 85 14.232 12.326 -25.551 1.00 0.00 C ATOM 1360 NH1 ARG A 85 14.345 11.012 -25.690 1.00 0.00 N ATOM 1361 NH2 ARG A 85 13.093 12.927 -25.870 1.00 0.00 N ATOM 0 H ARG A 85 16.748 9.834 -22.035 1.00 0.00 H new ATOM 0 HA ARG A 85 18.678 10.231 -23.982 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.997 12.113 -21.694 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.622 12.557 -23.271 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.038 11.040 -23.189 1.00 0.00 H new ATOM 0 HG3 ARG A 85 16.014 12.708 -22.653 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.330 13.196 -24.873 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.763 11.616 -25.374 1.00 0.00 H new ATOM 0 HE ARG A 85 15.135 14.047 -24.999 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.219 10.547 -25.446 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.558 10.467 -26.041 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.003 13.937 -25.764 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.308 12.379 -26.221 1.00 0.00 H new ATOM 1375 N ASP A 86 19.927 9.841 -21.015 1.00 0.00 N ATOM 1376 CA ASP A 86 21.166 9.699 -20.258 1.00 0.00 C ATOM 1377 C ASP A 86 21.708 8.277 -20.364 1.00 0.00 C ATOM 1378 O ASP A 86 22.766 8.047 -20.949 1.00 0.00 O ATOM 1379 CB ASP A 86 20.937 10.062 -18.790 1.00 0.00 C ATOM 1380 CG ASP A 86 20.960 11.560 -18.554 1.00 0.00 C ATOM 1381 OD1 ASP A 86 21.718 12.260 -19.258 1.00 0.00 O ATOM 1382 OD2 ASP A 86 20.220 12.031 -17.666 1.00 0.00 O ATOM 0 H ASP A 86 19.093 9.521 -20.523 1.00 0.00 H new ATOM 0 HA ASP A 86 21.902 10.382 -20.683 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.977 9.660 -18.465 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.704 9.589 -18.178 1.00 0.00 H new ATOM 1387 N ALA A 87 20.976 7.326 -19.794 1.00 0.00 N ATOM 1388 CA ALA A 87 21.382 5.926 -19.825 1.00 0.00 C ATOM 1389 C ALA A 87 21.453 5.407 -21.257 1.00 0.00 C ATOM 1390 O ALA A 87 22.469 4.851 -21.677 1.00 0.00 O ATOM 1391 CB ALA A 87 20.423 5.080 -19.001 1.00 0.00 C ATOM 0 H ALA A 87 20.098 7.499 -19.305 1.00 0.00 H new ATOM 0 HA ALA A 87 22.379 5.852 -19.390 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.738 4.037 -19.033 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.426 5.428 -17.968 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.417 5.168 -19.411 1.00 0.00 H new ATOM 1397 N HIS A 88 20.368 5.591 -22.003 1.00 0.00 N ATOM 1398 CA HIS A 88 20.308 5.141 -23.389 1.00 0.00 C ATOM 1399 C HIS A 88 20.370 6.326 -24.348 1.00 0.00 C ATOM 1400 O HIS A 88 19.616 6.391 -25.319 1.00 0.00 O ATOM 1401 CB HIS A 88 19.029 4.339 -23.632 1.00 0.00 C ATOM 1402 CG HIS A 88 18.743 3.330 -22.563 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.588 2.280 -22.273 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.697 3.216 -21.710 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.075 1.563 -21.289 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.928 2.110 -20.930 1.00 0.00 N ATOM 0 H HIS A 88 19.519 6.048 -21.671 1.00 0.00 H new ATOM 0 HA HIS A 88 21.170 4.500 -23.575 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.187 5.027 -23.705 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.107 3.828 -24.591 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.841 3.872 -21.654 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.518 0.680 -20.853 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.313 1.766 -20.192 1.00 0.00 H new ATOM 1414 N ASP A 89 21.271 7.261 -24.069 1.00 0.00 N ATOM 1415 CA ASP A 89 21.432 8.443 -24.907 1.00 0.00 C ATOM 1416 C ASP A 89 21.532 8.056 -26.379 1.00 0.00 C ATOM 1417 O ASP A 89 22.549 7.540 -26.843 1.00 0.00 O ATOM 1418 CB ASP A 89 22.675 9.228 -24.487 1.00 0.00 C ATOM 1419 CG ASP A 89 23.956 8.448 -24.713 1.00 0.00 C ATOM 1420 OD1 ASP A 89 23.878 7.210 -24.863 1.00 0.00 O ATOM 1421 OD2 ASP A 89 25.035 9.075 -24.742 1.00 0.00 O ATOM 0 H ASP A 89 21.902 7.223 -23.268 1.00 0.00 H new ATOM 0 HA ASP A 89 20.553 9.074 -24.775 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.718 10.162 -25.047 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.595 9.492 -23.433 1.00 0.00 H new