USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 909 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 79 ASN : amide:sc= -1.48 K(o=-4.3,f=-8.6!) USER MOD Set 1.2: A 80 ASN : amide:sc= -2.83 K(o=-4.3,f=-6.4!) USER MOD Set 2.1: A 73 CYS SG : rot 28:sc= 0.401 USER MOD Set 2.2: A 116 HIS : no HD1:sc= -8.11! C(o=-7.7!,f=-12!) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -168:sc= -1.74 (180deg=0) USER MOD Set 3.2: A 49 GLN :FLIP amide:sc= -2.11 F(o=-10,f=-8.8) USER MOD Set 3.3: A 64 ASN : amide:sc= -4.93! C(o=-8.8!,f=-11!) USER MOD Set 4.1: A 17 SER OG : rot 114:sc= 1.14 USER MOD Set 4.2: A 39 HIS :FLIP no HE2:sc= -1.61! C(o=-3.9!,f=-0.47!) USER MOD Set 5.1: A 33 LYS NZ :NH3+ -178:sc= -0.25 (180deg=-0.203) USER MOD Set 5.2: A 102 MET CE :methyl -178:sc= -1.15 (180deg=-1.16) USER MOD Set 6.1: A 25 LYS NZ :NH3+ -162:sc= -0.04 (180deg=-0.317) USER MOD Set 6.2: A 28 ASN : amide:sc= 0 X(o=-0.04,f=-0.24) USER MOD Single : A 16 TYR OH : rot 180:sc= -2.03 USER MOD Single : A 18 LYS NZ :NH3+ -117:sc= -0.176 (180deg=-1.46!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 19:sc= -0.776 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= -0.806 (180deg=-0.995) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 43 THR OG1 : rot -61:sc= 0.017 USER MOD Single : A 45 ASN : amide:sc= -0.0534 K(o=-0.053,f=-0.58) USER MOD Single : A 46 GLN : amide:sc= -3.25! C(o=-3.3!,f=-4.1!) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0157 (180deg=-0.194) USER MOD Single : A 48 THR OG1 : rot 130:sc= -0.13 USER MOD Single : A 60 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -151:sc= -2.19 (180deg=-4.31!) USER MOD Single : A 74 THR OG1 : rot 23:sc= 0.403 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -153:sc= -0.496 (180deg=-1.49!) USER MOD Single : A 85 CYS SG : rot 26:sc= -1.2 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.5) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 109 SER OG : rot 70:sc= 1.12 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.601) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 -0.792 6.134 -12.157 1.00 0.00 N ATOM 97 CA ALA A 14 -0.303 6.498 -10.834 1.00 0.00 C ATOM 98 C ALA A 14 0.407 7.847 -10.863 1.00 0.00 C ATOM 99 O ALA A 14 1.153 8.147 -11.795 1.00 0.00 O ATOM 100 CB ALA A 14 0.629 5.420 -10.300 1.00 0.00 C ATOM 0 HA ALA A 14 -1.161 6.583 -10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.987 5.706 -9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.091 4.475 -10.232 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.478 5.307 -10.974 1.00 0.00 H new ATOM 106 N PHE A 15 0.170 8.658 -9.837 1.00 0.00 N ATOM 107 CA PHE A 15 0.786 9.977 -9.747 1.00 0.00 C ATOM 108 C PHE A 15 2.017 9.941 -8.846 1.00 0.00 C ATOM 109 O PHE A 15 3.068 10.483 -9.190 1.00 0.00 O ATOM 110 CB PHE A 15 -0.220 10.998 -9.213 1.00 0.00 C ATOM 111 CG PHE A 15 -0.974 10.522 -8.005 1.00 0.00 C ATOM 112 CD1 PHE A 15 -2.014 9.615 -8.134 1.00 0.00 C ATOM 113 CD2 PHE A 15 -0.644 10.980 -6.740 1.00 0.00 C ATOM 114 CE1 PHE A 15 -2.710 9.175 -7.023 1.00 0.00 C ATOM 115 CE2 PHE A 15 -1.336 10.544 -5.626 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.370 9.640 -5.768 1.00 0.00 C ATOM 0 H PHE A 15 -0.444 8.425 -9.056 1.00 0.00 H new ATOM 0 HA PHE A 15 1.098 10.274 -10.748 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.307 11.919 -8.963 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.931 11.242 -10.002 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.284 9.248 -9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.164 11.687 -6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.519 8.468 -7.137 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.068 10.910 -4.646 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.912 9.297 -4.899 1.00 0.00 H new ATOM 126 N TYR A 16 1.879 9.299 -7.691 1.00 0.00 N ATOM 127 CA TYR A 16 2.978 9.194 -6.739 1.00 0.00 C ATOM 128 C TYR A 16 3.733 7.881 -6.920 1.00 0.00 C ATOM 129 O TYR A 16 3.142 6.802 -6.883 1.00 0.00 O ATOM 130 CB TYR A 16 2.451 9.299 -5.306 1.00 0.00 C ATOM 131 CG TYR A 16 3.531 9.568 -4.282 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.476 10.565 -4.486 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.604 8.825 -3.110 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.465 10.814 -3.553 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.588 9.068 -2.171 1.00 0.00 C ATOM 136 CZ TYR A 16 5.516 10.063 -2.397 1.00 0.00 C ATOM 137 OH TYR A 16 6.498 10.308 -1.465 1.00 0.00 O ATOM 0 H TYR A 16 1.017 8.844 -7.392 1.00 0.00 H new ATOM 0 HA TYR A 16 3.667 10.017 -6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.710 10.097 -5.258 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.939 8.372 -5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.437 11.156 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.879 8.045 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.193 11.592 -3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.630 8.482 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 16 6.392 9.693 -0.709 1.00 0.00 H new ATOM 147 N SER A 17 5.044 7.982 -7.115 1.00 0.00 N ATOM 148 CA SER A 17 5.882 6.804 -7.306 1.00 0.00 C ATOM 149 C SER A 17 7.219 6.966 -6.589 1.00 0.00 C ATOM 150 O SER A 17 7.994 7.873 -6.893 1.00 0.00 O ATOM 151 CB SER A 17 6.116 6.554 -8.797 1.00 0.00 C ATOM 152 OG SER A 17 7.189 5.650 -9.000 1.00 0.00 O ATOM 0 H SER A 17 5.549 8.868 -7.145 1.00 0.00 H new ATOM 0 HA SER A 17 5.362 5.946 -6.879 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.208 6.154 -9.249 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.332 7.498 -9.298 1.00 0.00 H new ATOM 0 HG SER A 17 6.848 4.822 -9.397 1.00 0.00 H new ATOM 158 N LYS A 18 7.483 6.079 -5.635 1.00 0.00 N ATOM 159 CA LYS A 18 8.726 6.121 -4.874 1.00 0.00 C ATOM 160 C LYS A 18 9.172 4.715 -4.483 1.00 0.00 C ATOM 161 O LYS A 18 8.347 3.852 -4.183 1.00 0.00 O ATOM 162 CB LYS A 18 8.551 6.979 -3.619 1.00 0.00 C ATOM 163 CG LYS A 18 9.823 7.129 -2.802 1.00 0.00 C ATOM 164 CD LYS A 18 10.867 7.948 -3.542 1.00 0.00 C ATOM 165 CE LYS A 18 10.581 9.438 -3.440 1.00 0.00 C ATOM 166 NZ LYS A 18 9.755 9.923 -4.580 1.00 0.00 N ATOM 0 H LYS A 18 6.852 5.322 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 18 9.495 6.565 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.198 7.968 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.777 6.537 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.591 7.607 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.228 6.143 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.854 7.737 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.888 7.651 -4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.064 9.645 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.522 9.988 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.298 10.618 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.500 9.120 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.889 10.370 -4.216 1.00 0.00 H new ATOM 180 N LYS A 19 10.482 4.493 -4.487 1.00 0.00 N ATOM 181 CA LYS A 19 11.038 3.193 -4.130 1.00 0.00 C ATOM 182 C LYS A 19 11.247 3.086 -2.623 1.00 0.00 C ATOM 183 O LYS A 19 11.903 3.934 -2.016 1.00 0.00 O ATOM 184 CB LYS A 19 12.366 2.967 -4.858 1.00 0.00 C ATOM 185 CG LYS A 19 12.202 2.577 -6.316 1.00 0.00 C ATOM 186 CD LYS A 19 11.850 3.778 -7.178 1.00 0.00 C ATOM 187 CE LYS A 19 13.084 4.596 -7.525 1.00 0.00 C ATOM 188 NZ LYS A 19 13.782 4.066 -8.729 1.00 0.00 N ATOM 0 H LYS A 19 11.178 5.196 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 19 10.328 2.425 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.962 3.877 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.925 2.186 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.125 2.126 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.421 1.822 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.367 3.440 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.132 4.407 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.795 5.632 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.770 4.595 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.617 4.651 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.081 3.085 -8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.136 4.091 -9.544 1.00 0.00 H new ATOM 202 N CYS A 20 10.688 2.040 -2.026 1.00 0.00 N ATOM 203 CA CYS A 20 10.814 1.822 -0.589 1.00 0.00 C ATOM 204 C CYS A 20 10.659 0.343 -0.248 1.00 0.00 C ATOM 205 O CYS A 20 10.348 -0.476 -1.113 1.00 0.00 O ATOM 206 CB CYS A 20 9.769 2.644 0.166 1.00 0.00 C ATOM 207 SG CYS A 20 8.061 2.155 -0.171 1.00 0.00 S ATOM 0 H CYS A 20 10.143 1.329 -2.514 1.00 0.00 H new ATOM 0 HA CYS A 20 11.809 2.144 -0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.957 2.556 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.893 3.695 -0.093 1.00 0.00 H new ATOM 0 HG CYS A 20 8.045 0.960 -0.682 1.00 0.00 H new ATOM 213 N LYS A 21 10.880 0.007 1.018 1.00 0.00 N ATOM 214 CA LYS A 21 10.765 -1.373 1.475 1.00 0.00 C ATOM 215 C LYS A 21 9.478 -1.579 2.266 1.00 0.00 C ATOM 216 O LYS A 21 8.826 -0.616 2.673 1.00 0.00 O ATOM 217 CB LYS A 21 11.972 -1.747 2.339 1.00 0.00 C ATOM 218 CG LYS A 21 13.266 -1.875 1.553 1.00 0.00 C ATOM 219 CD LYS A 21 14.478 -1.604 2.428 1.00 0.00 C ATOM 220 CE LYS A 21 15.769 -1.666 1.626 1.00 0.00 C ATOM 221 NZ LYS A 21 16.969 -1.510 2.494 1.00 0.00 N ATOM 0 H LYS A 21 11.140 0.672 1.747 1.00 0.00 H new ATOM 0 HA LYS A 21 10.739 -2.019 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.101 -0.992 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.768 -2.691 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.338 -2.877 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.256 -1.176 0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.382 -0.621 2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.515 -2.334 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.824 -2.618 1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.764 -0.882 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.828 -1.558 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.930 -0.590 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.988 -2.273 3.201 1.00 0.00 H new ATOM 235 N LEU A 22 9.117 -2.839 2.482 1.00 0.00 N ATOM 236 CA LEU A 22 7.907 -3.171 3.226 1.00 0.00 C ATOM 237 C LEU A 22 8.194 -4.228 4.288 1.00 0.00 C ATOM 238 O LEU A 22 8.905 -5.201 4.034 1.00 0.00 O ATOM 239 CB LEU A 22 6.819 -3.672 2.273 1.00 0.00 C ATOM 240 CG LEU A 22 5.910 -2.600 1.671 1.00 0.00 C ATOM 241 CD1 LEU A 22 5.191 -3.138 0.443 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.908 -2.107 2.705 1.00 0.00 C ATOM 0 H LEU A 22 9.645 -3.647 2.153 1.00 0.00 H new ATOM 0 HA LEU A 22 7.557 -2.267 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.299 -4.213 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.197 -4.389 2.808 1.00 0.00 H new ATOM 0 HG LEU A 22 6.529 -1.757 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.549 -2.361 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.924 -3.440 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.584 -3.999 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.270 -1.345 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.294 -2.942 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.442 -1.681 3.555 1.00 0.00 H new ATOM 254 N PHE A 23 7.634 -4.032 5.477 1.00 0.00 N ATOM 255 CA PHE A 23 7.829 -4.969 6.577 1.00 0.00 C ATOM 256 C PHE A 23 6.531 -5.175 7.353 1.00 0.00 C ATOM 257 O PHE A 23 5.887 -4.213 7.774 1.00 0.00 O ATOM 258 CB PHE A 23 8.924 -4.463 7.519 1.00 0.00 C ATOM 259 CG PHE A 23 10.298 -4.501 6.915 1.00 0.00 C ATOM 260 CD1 PHE A 23 11.094 -5.628 7.042 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.795 -3.409 6.221 1.00 0.00 C ATOM 262 CE1 PHE A 23 12.360 -5.666 6.487 1.00 0.00 C ATOM 263 CE2 PHE A 23 12.059 -3.442 5.663 1.00 0.00 C ATOM 264 CZ PHE A 23 12.843 -4.572 5.798 1.00 0.00 C ATOM 0 H PHE A 23 7.042 -3.233 5.703 1.00 0.00 H new ATOM 0 HA PHE A 23 8.136 -5.926 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.694 -3.439 7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.918 -5.066 8.427 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.721 -6.487 7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.188 -2.522 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.970 -6.551 6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.434 -2.586 5.122 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.832 -4.599 5.365 1.00 0.00 H new ATOM 274 N TYR A 24 6.152 -6.435 7.537 1.00 0.00 N ATOM 275 CA TYR A 24 4.929 -6.768 8.258 1.00 0.00 C ATOM 276 C TYR A 24 5.249 -7.416 9.601 1.00 0.00 C ATOM 277 O TYR A 24 6.222 -8.160 9.730 1.00 0.00 O ATOM 278 CB TYR A 24 4.058 -7.705 7.421 1.00 0.00 C ATOM 279 CG TYR A 24 4.698 -9.048 7.151 1.00 0.00 C ATOM 280 CD1 TYR A 24 4.681 -10.053 8.111 1.00 0.00 C ATOM 281 CD2 TYR A 24 5.320 -9.312 5.938 1.00 0.00 C ATOM 282 CE1 TYR A 24 5.266 -11.281 7.870 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.906 -10.538 5.687 1.00 0.00 C ATOM 284 CZ TYR A 24 5.876 -11.519 6.656 1.00 0.00 C ATOM 285 OH TYR A 24 6.460 -12.741 6.411 1.00 0.00 O ATOM 0 H TYR A 24 6.674 -7.243 7.197 1.00 0.00 H new ATOM 0 HA TYR A 24 4.382 -5.843 8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.109 -7.861 7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.830 -7.223 6.470 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.202 -9.871 9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.346 -8.546 5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.246 -12.050 8.628 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.385 -10.727 4.738 1.00 0.00 H new ATOM 0 HH TYR A 24 6.844 -12.745 5.509 1.00 0.00 H new ATOM 295 N LYS A 25 4.423 -7.129 10.601 1.00 0.00 N ATOM 296 CA LYS A 25 4.614 -7.685 11.936 1.00 0.00 C ATOM 297 C LYS A 25 3.953 -9.054 12.055 1.00 0.00 C ATOM 298 O LYS A 25 2.728 -9.172 11.996 1.00 0.00 O ATOM 299 CB LYS A 25 4.041 -6.737 12.992 1.00 0.00 C ATOM 300 CG LYS A 25 4.446 -7.092 14.412 1.00 0.00 C ATOM 301 CD LYS A 25 4.316 -5.899 15.344 1.00 0.00 C ATOM 302 CE LYS A 25 4.456 -6.312 16.801 1.00 0.00 C ATOM 303 NZ LYS A 25 3.323 -7.170 17.246 1.00 0.00 N ATOM 0 H LYS A 25 3.614 -6.514 10.513 1.00 0.00 H new ATOM 0 HA LYS A 25 5.685 -7.802 12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.370 -5.721 12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.953 -6.743 12.921 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.822 -7.909 14.776 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.476 -7.450 14.419 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.079 -5.160 15.099 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.348 -5.421 15.192 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.394 -6.850 16.937 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.505 -5.422 17.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.283 -7.180 18.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.431 -6.791 16.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.463 -8.139 16.896 1.00 0.00 H new ATOM 317 N LYS A 26 4.770 -10.088 12.224 1.00 0.00 N ATOM 318 CA LYS A 26 4.266 -11.450 12.354 1.00 0.00 C ATOM 319 C LYS A 26 5.019 -12.207 13.443 1.00 0.00 C ATOM 320 O LYS A 26 6.248 -12.268 13.433 1.00 0.00 O ATOM 321 CB LYS A 26 4.391 -12.192 11.022 1.00 0.00 C ATOM 322 CG LYS A 26 3.841 -13.607 11.060 1.00 0.00 C ATOM 323 CD LYS A 26 4.578 -14.518 10.092 1.00 0.00 C ATOM 324 CE LYS A 26 4.290 -15.984 10.377 1.00 0.00 C ATOM 325 NZ LYS A 26 4.668 -16.857 9.231 1.00 0.00 N ATOM 0 H LYS A 26 5.786 -10.008 12.274 1.00 0.00 H new ATOM 0 HA LYS A 26 3.214 -11.396 12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.866 -11.628 10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.441 -12.227 10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.926 -14.004 12.071 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.780 -13.593 10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.282 -14.280 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.650 -14.336 10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.838 -16.295 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.229 -16.110 10.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.456 -17.848 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.127 -16.577 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.685 -16.757 9.039 1.00 0.00 H new ATOM 339 N ASP A 27 4.274 -12.784 14.380 1.00 0.00 N ATOM 340 CA ASP A 27 4.871 -13.540 15.474 1.00 0.00 C ATOM 341 C ASP A 27 5.770 -12.647 16.325 1.00 0.00 C ATOM 342 O ASP A 27 6.846 -13.060 16.753 1.00 0.00 O ATOM 343 CB ASP A 27 5.676 -14.720 14.928 1.00 0.00 C ATOM 344 CG ASP A 27 6.156 -15.651 16.024 1.00 0.00 C ATOM 345 OD1 ASP A 27 5.311 -16.129 16.809 1.00 0.00 O ATOM 346 OD2 ASP A 27 7.377 -15.900 16.096 1.00 0.00 O ATOM 0 H ASP A 27 3.255 -12.742 14.403 1.00 0.00 H new ATOM 0 HA ASP A 27 4.065 -13.919 16.102 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.061 -15.280 14.223 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.535 -14.344 14.373 1.00 0.00 H new ATOM 351 N ASN A 28 5.319 -11.419 16.563 1.00 0.00 N ATOM 352 CA ASN A 28 6.083 -10.467 17.361 1.00 0.00 C ATOM 353 C ASN A 28 7.457 -10.219 16.745 1.00 0.00 C ATOM 354 O ASN A 28 8.466 -10.188 17.448 1.00 0.00 O ATOM 355 CB ASN A 28 6.240 -10.980 18.794 1.00 0.00 C ATOM 356 CG ASN A 28 4.907 -11.144 19.498 1.00 0.00 C ATOM 357 OD1 ASN A 28 4.043 -10.269 19.428 1.00 0.00 O ATOM 358 ND2 ASN A 28 4.734 -12.269 20.182 1.00 0.00 N ATOM 0 H ASN A 28 4.430 -11.061 16.215 1.00 0.00 H new ATOM 0 HA ASN A 28 5.536 -9.524 17.377 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.760 -11.938 18.779 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.863 -10.287 19.359 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.858 -12.435 20.677 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.477 -12.967 20.213 1.00 0.00 H new ATOM 365 N GLU A 29 7.485 -10.043 15.427 1.00 0.00 N ATOM 366 CA GLU A 29 8.735 -9.798 14.717 1.00 0.00 C ATOM 367 C GLU A 29 8.471 -9.164 13.355 1.00 0.00 C ATOM 368 O GLU A 29 7.413 -9.365 12.758 1.00 0.00 O ATOM 369 CB GLU A 29 9.512 -11.105 14.542 1.00 0.00 C ATOM 370 CG GLU A 29 11.003 -10.903 14.333 1.00 0.00 C ATOM 371 CD GLU A 29 11.768 -12.211 14.279 1.00 0.00 C ATOM 372 OE1 GLU A 29 11.145 -13.249 13.969 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.987 -12.199 14.548 1.00 0.00 O ATOM 0 H GLU A 29 6.658 -10.066 14.831 1.00 0.00 H new ATOM 0 HA GLU A 29 9.332 -9.106 15.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.358 -11.730 15.422 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.105 -11.649 13.690 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.165 -10.354 13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.399 -10.288 15.141 1.00 0.00 H new ATOM 380 N PHE A 30 9.441 -8.396 12.869 1.00 0.00 N ATOM 381 CA PHE A 30 9.314 -7.730 11.578 1.00 0.00 C ATOM 382 C PHE A 30 9.981 -8.548 10.476 1.00 0.00 C ATOM 383 O PHE A 30 11.152 -8.913 10.580 1.00 0.00 O ATOM 384 CB PHE A 30 9.934 -6.332 11.638 1.00 0.00 C ATOM 385 CG PHE A 30 9.007 -5.289 12.193 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.930 -5.068 13.559 1.00 0.00 C ATOM 387 CD2 PHE A 30 8.214 -4.528 11.350 1.00 0.00 C ATOM 388 CE1 PHE A 30 8.078 -4.110 14.073 1.00 0.00 C ATOM 389 CE2 PHE A 30 7.360 -3.567 11.858 1.00 0.00 C ATOM 390 CZ PHE A 30 7.293 -3.357 13.222 1.00 0.00 C ATOM 0 H PHE A 30 10.323 -8.220 13.350 1.00 0.00 H new ATOM 0 HA PHE A 30 8.253 -7.639 11.347 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.835 -6.369 12.250 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.242 -6.036 10.635 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.543 -5.652 14.229 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.264 -4.687 10.283 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.026 -3.950 15.140 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.746 -2.981 11.190 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.628 -2.606 13.622 1.00 0.00 H new ATOM 400 N LYS A 31 9.227 -8.832 9.419 1.00 0.00 N ATOM 401 CA LYS A 31 9.743 -9.606 8.297 1.00 0.00 C ATOM 402 C LYS A 31 9.601 -8.831 6.991 1.00 0.00 C ATOM 403 O LYS A 31 8.556 -8.241 6.720 1.00 0.00 O ATOM 404 CB LYS A 31 9.007 -10.944 8.191 1.00 0.00 C ATOM 405 CG LYS A 31 9.204 -11.844 9.398 1.00 0.00 C ATOM 406 CD LYS A 31 10.381 -12.785 9.205 1.00 0.00 C ATOM 407 CE LYS A 31 11.658 -12.210 9.800 1.00 0.00 C ATOM 408 NZ LYS A 31 11.620 -12.198 11.288 1.00 0.00 N ATOM 0 H LYS A 31 8.256 -8.537 9.316 1.00 0.00 H new ATOM 0 HA LYS A 31 10.802 -9.794 8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.942 -10.754 8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.349 -11.468 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.367 -11.233 10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.298 -12.424 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.161 -13.745 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.527 -12.974 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.512 -12.798 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.805 -11.194 9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.965 -11.281 11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.643 -12.346 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.226 -12.959 11.657 1.00 0.00 H new ATOM 422 N GLU A 32 10.658 -8.839 6.185 1.00 0.00 N ATOM 423 CA GLU A 32 10.649 -8.137 4.907 1.00 0.00 C ATOM 424 C GLU A 32 9.621 -8.746 3.958 1.00 0.00 C ATOM 425 O GLU A 32 9.691 -9.930 3.625 1.00 0.00 O ATOM 426 CB GLU A 32 12.038 -8.179 4.267 1.00 0.00 C ATOM 427 CG GLU A 32 12.197 -7.227 3.094 1.00 0.00 C ATOM 428 CD GLU A 32 13.636 -6.794 2.884 1.00 0.00 C ATOM 429 OE1 GLU A 32 14.400 -6.779 3.872 1.00 0.00 O ATOM 430 OE2 GLU A 32 13.997 -6.471 1.733 1.00 0.00 O ATOM 0 H GLU A 32 11.531 -9.324 6.394 1.00 0.00 H new ATOM 0 HA GLU A 32 10.374 -7.099 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.785 -7.938 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.243 -9.195 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.831 -7.709 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.577 -6.346 3.259 1.00 0.00 H new ATOM 437 N LYS A 33 8.666 -7.930 3.527 1.00 0.00 N ATOM 438 CA LYS A 33 7.622 -8.386 2.616 1.00 0.00 C ATOM 439 C LYS A 33 8.154 -8.494 1.191 1.00 0.00 C ATOM 440 O LYS A 33 7.835 -9.438 0.469 1.00 0.00 O ATOM 441 CB LYS A 33 6.428 -7.429 2.656 1.00 0.00 C ATOM 442 CG LYS A 33 5.296 -7.832 1.727 1.00 0.00 C ATOM 443 CD LYS A 33 3.975 -7.217 2.160 1.00 0.00 C ATOM 444 CE LYS A 33 2.791 -8.014 1.635 1.00 0.00 C ATOM 445 NZ LYS A 33 1.492 -7.386 2.004 1.00 0.00 N ATOM 0 H LYS A 33 8.593 -6.948 3.794 1.00 0.00 H new ATOM 0 HA LYS A 33 7.297 -9.375 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.049 -7.377 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.766 -6.428 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.529 -7.517 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.205 -8.918 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.932 -7.174 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.914 -6.191 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.860 -8.095 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.830 -9.028 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.710 -7.977 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.429 -7.301 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.429 -6.441 1.574 1.00 0.00 H new ATOM 459 N GLY A 34 8.967 -7.521 0.791 1.00 0.00 N ATOM 460 CA GLY A 34 9.531 -7.527 -0.546 1.00 0.00 C ATOM 461 C GLY A 34 9.854 -6.132 -1.045 1.00 0.00 C ATOM 462 O GLY A 34 9.056 -5.208 -0.885 1.00 0.00 O ATOM 0 H GLY A 34 9.245 -6.728 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.438 -8.131 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.828 -8.001 -1.231 1.00 0.00 H new ATOM 466 N ILE A 35 11.027 -5.979 -1.649 1.00 0.00 N ATOM 467 CA ILE A 35 11.454 -4.687 -2.172 1.00 0.00 C ATOM 468 C ILE A 35 10.770 -4.379 -3.499 1.00 0.00 C ATOM 469 O ILE A 35 10.865 -5.151 -4.453 1.00 0.00 O ATOM 470 CB ILE A 35 12.981 -4.636 -2.369 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.697 -4.849 -1.034 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.390 -3.310 -2.991 1.00 0.00 C ATOM 473 CD1 ILE A 35 15.120 -5.340 -1.183 1.00 0.00 C ATOM 0 H ILE A 35 11.699 -6.734 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 35 11.166 -3.937 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 35 13.272 -5.438 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.701 -3.911 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.134 -5.568 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.472 -3.289 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.903 -3.197 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.089 -2.493 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.566 -5.469 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.122 -6.294 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.699 -4.611 -1.750 1.00 0.00 H new ATOM 485 N GLY A 36 10.082 -3.243 -3.554 1.00 0.00 N ATOM 486 CA GLY A 36 9.393 -2.850 -4.770 1.00 0.00 C ATOM 487 C GLY A 36 9.144 -1.357 -4.840 1.00 0.00 C ATOM 488 O GLY A 36 9.848 -0.571 -4.204 1.00 0.00 O ATOM 0 H GLY A 36 9.989 -2.587 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.983 -3.157 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.441 -3.377 -4.831 1.00 0.00 H new ATOM 492 N THR A 37 8.139 -0.961 -5.615 1.00 0.00 N ATOM 493 CA THR A 37 7.800 0.448 -5.767 1.00 0.00 C ATOM 494 C THR A 37 6.300 0.672 -5.618 1.00 0.00 C ATOM 495 O THR A 37 5.493 -0.039 -6.219 1.00 0.00 O ATOM 496 CB THR A 37 8.255 0.990 -7.135 1.00 0.00 C ATOM 497 OG1 THR A 37 9.635 0.674 -7.353 1.00 0.00 O ATOM 498 CG2 THR A 37 8.056 2.496 -7.214 1.00 0.00 C ATOM 0 H THR A 37 7.545 -1.597 -6.147 1.00 0.00 H new ATOM 0 HA THR A 37 8.325 0.986 -4.978 1.00 0.00 H new ATOM 0 HB THR A 37 7.648 0.518 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.916 1.021 -8.225 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.384 2.856 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.001 2.731 -7.077 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.640 2.982 -6.432 1.00 0.00 H new ATOM 506 N LEU A 38 5.932 1.664 -4.815 1.00 0.00 N ATOM 507 CA LEU A 38 4.526 1.983 -4.588 1.00 0.00 C ATOM 508 C LEU A 38 4.005 2.940 -5.655 1.00 0.00 C ATOM 509 O LEU A 38 4.739 3.799 -6.145 1.00 0.00 O ATOM 510 CB LEU A 38 4.341 2.599 -3.200 1.00 0.00 C ATOM 511 CG LEU A 38 2.940 3.121 -2.879 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.670 3.042 -1.385 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.777 4.550 -3.377 1.00 0.00 C ATOM 0 H LEU A 38 6.587 2.261 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 38 3.954 1.057 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.608 1.851 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.047 3.422 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 38 2.212 2.492 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.668 3.418 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.745 2.006 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.403 3.646 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.774 4.906 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.513 5.191 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.927 4.578 -4.456 1.00 0.00 H new ATOM 525 N HIS A 39 2.733 2.787 -6.010 1.00 0.00 N ATOM 526 CA HIS A 39 2.113 3.640 -7.017 1.00 0.00 C ATOM 527 C HIS A 39 0.668 3.958 -6.644 1.00 0.00 C ATOM 528 O HIS A 39 -0.168 3.060 -6.531 1.00 0.00 O ATOM 529 CB HIS A 39 2.161 2.964 -8.388 1.00 0.00 C ATOM 530 CG HIS A 39 3.518 2.989 -9.021 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.442 2.012 -9.173 1.00 0.00 N flip ATOM 532 CD2 HIS A 39 4.064 4.122 -9.587 1.00 0.00 C flip ATOM 533 CE1 HIS A 39 5.517 2.565 -9.823 1.00 0.00 C flip ATOM 534 NE2 HIS A 39 5.264 3.839 -10.062 1.00 0.00 N flip ATOM 0 H HIS A 39 2.112 2.081 -5.615 1.00 0.00 H new ATOM 0 HA HIS A 39 2.673 4.574 -7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.836 1.929 -8.285 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.450 3.456 -9.052 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.356 1.044 -8.862 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.586 5.089 -9.635 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.423 2.043 -10.095 1.00 0.00 H new ATOM 542 N LEU A 40 0.380 5.241 -6.453 1.00 0.00 N ATOM 543 CA LEU A 40 -0.964 5.679 -6.092 1.00 0.00 C ATOM 544 C LEU A 40 -1.673 6.304 -7.289 1.00 0.00 C ATOM 545 O LEU A 40 -1.129 7.182 -7.958 1.00 0.00 O ATOM 546 CB LEU A 40 -0.902 6.683 -4.940 1.00 0.00 C ATOM 547 CG LEU A 40 -0.780 6.088 -3.537 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.298 7.140 -2.551 1.00 0.00 C ATOM 549 CD2 LEU A 40 -2.112 5.504 -3.088 1.00 0.00 C ATOM 0 H LEU A 40 1.060 5.996 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.531 4.804 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.053 7.345 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.799 7.301 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.045 5.284 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.217 6.698 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.678 7.511 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.009 7.966 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.007 5.085 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.868 6.289 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.417 4.719 -3.780 1.00 0.00 H new ATOM 561 N LYS A 41 -2.892 5.846 -7.553 1.00 0.00 N ATOM 562 CA LYS A 41 -3.679 6.362 -8.667 1.00 0.00 C ATOM 563 C LYS A 41 -5.117 6.634 -8.237 1.00 0.00 C ATOM 564 O LYS A 41 -5.721 5.870 -7.484 1.00 0.00 O ATOM 565 CB LYS A 41 -3.663 5.370 -9.832 1.00 0.00 C ATOM 566 CG LYS A 41 -4.257 4.015 -9.486 1.00 0.00 C ATOM 567 CD LYS A 41 -3.203 3.066 -8.941 1.00 0.00 C ATOM 568 CE LYS A 41 -3.531 1.619 -9.275 1.00 0.00 C ATOM 569 NZ LYS A 41 -4.701 1.122 -8.500 1.00 0.00 N ATOM 0 H LYS A 41 -3.357 5.118 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.231 7.301 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.216 5.797 -10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.635 5.232 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.050 4.142 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.715 3.580 -10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.229 3.325 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.130 3.184 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.738 1.530 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.664 0.992 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.769 0.089 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.582 1.367 -7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.570 1.562 -8.863 1.00 0.00 H new ATOM 583 N PRO A 42 -5.682 7.748 -8.727 1.00 0.00 N ATOM 584 CA PRO A 42 -7.056 8.144 -8.409 1.00 0.00 C ATOM 585 C PRO A 42 -8.089 7.222 -9.048 1.00 0.00 C ATOM 586 O PRO A 42 -7.991 6.887 -10.229 1.00 0.00 O ATOM 587 CB PRO A 42 -7.163 9.554 -8.995 1.00 0.00 C ATOM 588 CG PRO A 42 -6.149 9.589 -10.086 1.00 0.00 C ATOM 589 CD PRO A 42 -5.021 8.705 -9.631 1.00 0.00 C ATOM 0 HA PRO A 42 -7.256 8.095 -7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.164 9.748 -9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.958 10.313 -8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.572 9.230 -11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.801 10.607 -10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.542 8.200 -10.470 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.246 9.274 -9.117 1.00 0.00 H new ATOM 597 N THR A 43 -9.080 6.815 -8.261 1.00 0.00 N ATOM 598 CA THR A 43 -10.130 5.931 -8.750 1.00 0.00 C ATOM 599 C THR A 43 -11.287 6.727 -9.342 1.00 0.00 C ATOM 600 O THR A 43 -11.455 7.910 -9.047 1.00 0.00 O ATOM 601 CB THR A 43 -10.668 5.023 -7.627 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.387 5.805 -6.667 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.531 4.284 -6.938 1.00 0.00 C ATOM 0 H THR A 43 -9.177 7.084 -7.282 1.00 0.00 H new ATOM 0 HA THR A 43 -9.684 5.310 -9.527 1.00 0.00 H new ATOM 0 HB THR A 43 -11.340 4.289 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.786 6.469 -6.270 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.935 3.649 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.004 3.667 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.838 5.005 -6.504 1.00 0.00 H new ATOM 611 N ALA A 44 -12.084 6.070 -10.179 1.00 0.00 N ATOM 612 CA ALA A 44 -13.228 6.717 -10.810 1.00 0.00 C ATOM 613 C ALA A 44 -13.953 7.630 -9.829 1.00 0.00 C ATOM 614 O ALA A 44 -14.553 8.629 -10.223 1.00 0.00 O ATOM 615 CB ALA A 44 -14.183 5.672 -11.368 1.00 0.00 C ATOM 0 H ALA A 44 -11.958 5.091 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.859 7.332 -11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.033 6.169 -11.836 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.664 5.064 -12.109 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.537 5.034 -10.559 1.00 0.00 H new ATOM 621 N ASN A 45 -13.895 7.280 -8.548 1.00 0.00 N ATOM 622 CA ASN A 45 -14.549 8.068 -7.509 1.00 0.00 C ATOM 623 C ASN A 45 -13.533 8.919 -6.752 1.00 0.00 C ATOM 624 O ASN A 45 -12.344 8.911 -7.070 1.00 0.00 O ATOM 625 CB ASN A 45 -15.290 7.151 -6.534 1.00 0.00 C ATOM 626 CG ASN A 45 -15.980 5.998 -7.236 1.00 0.00 C ATOM 627 OD1 ASN A 45 -16.456 6.138 -8.363 1.00 0.00 O ATOM 628 ND2 ASN A 45 -16.037 4.849 -6.572 1.00 0.00 N ATOM 0 H ASN A 45 -13.402 6.456 -8.204 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.267 8.732 -7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.585 6.757 -5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -16.029 7.732 -5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.489 4.038 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.629 4.778 -5.640 1.00 0.00 H new ATOM 635 N GLN A 46 -14.011 9.651 -5.751 1.00 0.00 N ATOM 636 CA GLN A 46 -13.145 10.507 -4.949 1.00 0.00 C ATOM 637 C GLN A 46 -12.298 9.678 -3.990 1.00 0.00 C ATOM 638 O GLN A 46 -11.640 10.218 -3.100 1.00 0.00 O ATOM 639 CB GLN A 46 -13.980 11.521 -4.166 1.00 0.00 C ATOM 640 CG GLN A 46 -13.217 12.786 -3.804 1.00 0.00 C ATOM 641 CD GLN A 46 -12.395 12.631 -2.540 1.00 0.00 C ATOM 642 OE1 GLN A 46 -12.825 11.988 -1.581 1.00 0.00 O ATOM 643 NE2 GLN A 46 -11.205 13.219 -2.531 1.00 0.00 N ATOM 0 H GLN A 46 -14.993 9.668 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.477 11.042 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.856 11.791 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.344 11.052 -3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.559 13.057 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.923 13.607 -3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.888 13.742 -3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.607 13.148 -1.708 1.00 0.00 H new ATOM 652 N LYS A 47 -12.318 8.362 -4.176 1.00 0.00 N ATOM 653 CA LYS A 47 -11.551 7.457 -3.328 1.00 0.00 C ATOM 654 C LYS A 47 -10.110 7.345 -3.815 1.00 0.00 C ATOM 655 O LYS A 47 -9.754 7.886 -4.863 1.00 0.00 O ATOM 656 CB LYS A 47 -12.203 6.073 -3.304 1.00 0.00 C ATOM 657 CG LYS A 47 -13.660 6.093 -2.876 1.00 0.00 C ATOM 658 CD LYS A 47 -13.796 6.240 -1.369 1.00 0.00 C ATOM 659 CE LYS A 47 -15.255 6.237 -0.939 1.00 0.00 C ATOM 660 NZ LYS A 47 -15.918 4.937 -1.234 1.00 0.00 N ATOM 0 H LYS A 47 -12.858 7.898 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.543 7.865 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.131 5.630 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.643 5.429 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.174 6.917 -3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.148 5.173 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.268 5.425 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.323 7.168 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.319 6.443 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.786 7.040 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.838 4.899 -0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.062 4.846 -2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.318 4.157 -0.898 1.00 0.00 H new ATOM 674 N THR A 48 -9.285 6.637 -3.051 1.00 0.00 N ATOM 675 CA THR A 48 -7.884 6.453 -3.405 1.00 0.00 C ATOM 676 C THR A 48 -7.480 4.986 -3.310 1.00 0.00 C ATOM 677 O THR A 48 -7.736 4.327 -2.303 1.00 0.00 O ATOM 678 CB THR A 48 -6.960 7.286 -2.497 1.00 0.00 C ATOM 679 OG1 THR A 48 -7.101 8.679 -2.801 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.508 6.868 -2.671 1.00 0.00 C ATOM 0 H THR A 48 -9.564 6.181 -2.182 1.00 0.00 H new ATOM 0 HA THR A 48 -7.773 6.793 -4.435 1.00 0.00 H new ATOM 0 HB THR A 48 -7.250 7.109 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.253 9.181 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.875 7.471 -2.019 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.399 5.815 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.208 7.018 -3.708 1.00 0.00 H new ATOM 688 N GLN A 49 -6.849 4.481 -4.365 1.00 0.00 N ATOM 689 CA GLN A 49 -6.411 3.090 -4.400 1.00 0.00 C ATOM 690 C GLN A 49 -4.916 2.984 -4.119 1.00 0.00 C ATOM 691 O GLN A 49 -4.156 3.916 -4.385 1.00 0.00 O ATOM 692 CB GLN A 49 -6.733 2.466 -5.758 1.00 0.00 C ATOM 693 CG GLN A 49 -6.789 0.947 -5.732 1.00 0.00 C ATOM 694 CD GLN A 49 -7.072 0.349 -7.096 1.00 0.00 C ATOM 695 OE1 GLN A 49 -6.397 -0.749 -7.413 1.00 0.00 O flip ATOM 696 NE2 GLN A 49 -7.889 0.869 -7.856 1.00 0.00 N flip ATOM 0 H GLN A 49 -6.630 5.014 -5.207 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.948 2.546 -3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.691 2.851 -6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.981 2.781 -6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.841 0.559 -5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.562 0.628 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.385 1.713 -7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.070 0.456 -8.771 1.00 0.00 H new ATOM 705 N LEU A 50 -4.500 1.843 -3.581 1.00 0.00 N ATOM 706 CA LEU A 50 -3.095 1.614 -3.264 1.00 0.00 C ATOM 707 C LEU A 50 -2.566 0.382 -3.991 1.00 0.00 C ATOM 708 O LEU A 50 -3.124 -0.710 -3.872 1.00 0.00 O ATOM 709 CB LEU A 50 -2.913 1.446 -1.754 1.00 0.00 C ATOM 710 CG LEU A 50 -1.492 1.640 -1.224 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.566 0.565 -1.772 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.974 3.026 -1.581 1.00 0.00 C ATOM 0 H LEU A 50 -5.116 1.062 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.527 2.482 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.568 2.155 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.250 0.447 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.515 1.551 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.441 0.720 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.927 -0.417 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.548 0.621 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.039 3.146 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.966 3.144 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.623 3.782 -1.139 1.00 0.00 H new ATOM 724 N LEU A 51 -1.486 0.564 -4.743 1.00 0.00 N ATOM 725 CA LEU A 51 -0.879 -0.534 -5.489 1.00 0.00 C ATOM 726 C LEU A 51 0.641 -0.500 -5.366 1.00 0.00 C ATOM 727 O LEU A 51 1.266 0.545 -5.544 1.00 0.00 O ATOM 728 CB LEU A 51 -1.285 -0.461 -6.962 1.00 0.00 C ATOM 729 CG LEU A 51 -1.307 -1.790 -7.718 1.00 0.00 C ATOM 730 CD1 LEU A 51 -2.480 -2.644 -7.263 1.00 0.00 C ATOM 731 CD2 LEU A 51 -1.371 -1.549 -9.219 1.00 0.00 C ATOM 0 H LEU A 51 -1.013 1.461 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.239 -1.472 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.278 -0.015 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.600 0.214 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.385 -2.327 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.479 -3.586 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.390 -2.846 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.413 -2.113 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.386 -2.506 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.276 -0.990 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.497 -0.978 -9.533 1.00 0.00 H new ATOM 743 N VAL A 52 1.231 -1.653 -5.064 1.00 0.00 N ATOM 744 CA VAL A 52 2.678 -1.757 -4.921 1.00 0.00 C ATOM 745 C VAL A 52 3.246 -2.826 -5.848 1.00 0.00 C ATOM 746 O VAL A 52 2.837 -3.986 -5.798 1.00 0.00 O ATOM 747 CB VAL A 52 3.077 -2.086 -3.471 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.588 -2.197 -3.344 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.530 -1.034 -2.517 1.00 0.00 C ATOM 0 H VAL A 52 0.729 -2.528 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 52 3.093 -0.786 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 52 2.643 -3.049 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.850 -2.430 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.951 -2.990 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.048 -1.251 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.821 -1.282 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.934 -0.057 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.443 -1.009 -2.588 1.00 0.00 H new ATOM 759 N ARG A 53 4.192 -2.427 -6.692 1.00 0.00 N ATOM 760 CA ARG A 53 4.816 -3.352 -7.631 1.00 0.00 C ATOM 761 C ARG A 53 6.083 -3.959 -7.035 1.00 0.00 C ATOM 762 O ARG A 53 6.810 -3.298 -6.294 1.00 0.00 O ATOM 763 CB ARG A 53 5.149 -2.634 -8.941 1.00 0.00 C ATOM 764 CG ARG A 53 6.001 -3.462 -9.889 1.00 0.00 C ATOM 765 CD ARG A 53 6.337 -2.689 -11.155 1.00 0.00 C ATOM 766 NE ARG A 53 5.299 -2.827 -12.173 1.00 0.00 N ATOM 767 CZ ARG A 53 5.094 -1.939 -13.139 1.00 0.00 C ATOM 768 NH1 ARG A 53 5.853 -0.854 -13.218 1.00 0.00 N ATOM 769 NH2 ARG A 53 4.130 -2.135 -14.029 1.00 0.00 N ATOM 0 H ARG A 53 4.543 -1.471 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 53 4.109 -4.156 -7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.220 -2.363 -9.443 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.672 -1.705 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.922 -3.759 -9.387 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.471 -4.378 -10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.468 -1.635 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.287 -3.044 -11.555 1.00 0.00 H new ATOM 0 HE ARG A 53 4.698 -3.651 -12.140 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.596 -0.700 -12.536 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.694 -0.173 -13.961 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.545 -2.969 -13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.974 -1.452 -14.770 1.00 0.00 H new ATOM 783 N ALA A 54 6.340 -5.220 -7.365 1.00 0.00 N ATOM 784 CA ALA A 54 7.519 -5.916 -6.864 1.00 0.00 C ATOM 785 C ALA A 54 8.690 -5.779 -7.831 1.00 0.00 C ATOM 786 O ALA A 54 8.522 -5.902 -9.045 1.00 0.00 O ATOM 787 CB ALA A 54 7.202 -7.384 -6.620 1.00 0.00 C ATOM 0 H ALA A 54 5.748 -5.781 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 54 7.807 -5.456 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.092 -7.891 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.402 -7.466 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.886 -7.848 -7.554 1.00 0.00 H new ATOM 793 N ASP A 55 9.874 -5.524 -7.287 1.00 0.00 N ATOM 794 CA ASP A 55 11.073 -5.370 -8.102 1.00 0.00 C ATOM 795 C ASP A 55 11.778 -6.710 -8.289 1.00 0.00 C ATOM 796 O ASP A 55 12.083 -7.113 -9.413 1.00 0.00 O ATOM 797 CB ASP A 55 12.028 -4.363 -7.459 1.00 0.00 C ATOM 798 CG ASP A 55 12.904 -3.663 -8.479 1.00 0.00 C ATOM 799 OD1 ASP A 55 13.761 -4.337 -9.088 1.00 0.00 O ATOM 800 OD2 ASP A 55 12.732 -2.441 -8.670 1.00 0.00 O ATOM 0 H ASP A 55 10.030 -5.419 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 55 10.771 -4.998 -9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.451 -3.620 -6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.659 -4.877 -6.734 1.00 0.00 H new ATOM 859 N ASN A 60 5.036 -9.332 -9.877 1.00 0.00 N ATOM 860 CA ASN A 60 3.992 -9.740 -8.944 1.00 0.00 C ATOM 861 C ASN A 60 3.694 -8.628 -7.942 1.00 0.00 C ATOM 862 O ASN A 60 4.605 -8.070 -7.330 1.00 0.00 O ATOM 863 CB ASN A 60 4.411 -11.011 -8.202 1.00 0.00 C ATOM 864 CG ASN A 60 3.748 -11.133 -6.844 1.00 0.00 C ATOM 865 OD1 ASN A 60 2.617 -11.607 -6.734 1.00 0.00 O ATOM 866 ND2 ASN A 60 4.450 -10.705 -5.802 1.00 0.00 N ATOM 0 HA ASN A 60 3.086 -9.943 -9.516 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.157 -11.882 -8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.494 -11.015 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.055 -10.762 -4.863 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.384 -10.319 -5.940 1.00 0.00 H new ATOM 873 N ILE A 61 2.413 -8.313 -7.780 1.00 0.00 N ATOM 874 CA ILE A 61 1.995 -7.270 -6.852 1.00 0.00 C ATOM 875 C ILE A 61 2.428 -7.597 -5.427 1.00 0.00 C ATOM 876 O ILE A 61 2.468 -8.762 -5.030 1.00 0.00 O ATOM 877 CB ILE A 61 0.468 -7.071 -6.880 1.00 0.00 C ATOM 878 CG1 ILE A 61 0.062 -6.241 -8.099 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.002 -6.403 -5.597 1.00 0.00 C ATOM 880 CD1 ILE A 61 0.317 -4.759 -7.933 1.00 0.00 C ATOM 0 H ILE A 61 1.647 -8.765 -8.279 1.00 0.00 H new ATOM 0 HA ILE A 61 2.479 -6.348 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.010 -8.048 -6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.608 -6.600 -8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.998 -6.399 -8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.083 -6.269 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.259 -7.029 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.481 -5.431 -5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.005 -4.233 -8.835 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.251 -4.385 -7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.380 -4.590 -7.763 1.00 0.00 H new ATOM 892 N LEU A 62 2.749 -6.561 -4.660 1.00 0.00 N ATOM 893 CA LEU A 62 3.177 -6.737 -3.276 1.00 0.00 C ATOM 894 C LEU A 62 2.017 -6.507 -2.314 1.00 0.00 C ATOM 895 O LEU A 62 1.790 -7.299 -1.398 1.00 0.00 O ATOM 896 CB LEU A 62 4.323 -5.777 -2.950 1.00 0.00 C ATOM 897 CG LEU A 62 5.714 -6.209 -3.416 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.744 -5.141 -3.081 1.00 0.00 C ATOM 899 CD2 LEU A 62 6.098 -7.539 -2.785 1.00 0.00 C ATOM 0 H LEU A 62 2.721 -5.590 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 62 3.525 -7.763 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.097 -4.808 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.352 -5.632 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 62 5.691 -6.336 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.728 -5.465 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.477 -4.209 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.766 -4.982 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.091 -7.831 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.104 -7.439 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.375 -8.301 -3.075 1.00 0.00 H new ATOM 911 N LEU A 63 1.283 -5.421 -2.528 1.00 0.00 N ATOM 912 CA LEU A 63 0.144 -5.087 -1.681 1.00 0.00 C ATOM 913 C LEU A 63 -0.862 -4.223 -2.435 1.00 0.00 C ATOM 914 O LEU A 63 -0.554 -3.101 -2.834 1.00 0.00 O ATOM 915 CB LEU A 63 0.615 -4.359 -0.421 1.00 0.00 C ATOM 916 CG LEU A 63 -0.485 -3.801 0.483 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.220 -4.929 1.189 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.101 -2.827 1.495 1.00 0.00 C ATOM 0 H LEU A 63 1.457 -4.756 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.347 -6.017 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.225 -5.046 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.263 -3.536 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.201 -3.262 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.999 -4.512 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.672 -5.588 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.516 -5.497 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.695 -2.439 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.838 -3.342 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.580 -2.001 0.970 1.00 0.00 H new ATOM 930 N ASN A 64 -2.065 -4.754 -2.625 1.00 0.00 N ATOM 931 CA ASN A 64 -3.117 -4.030 -3.330 1.00 0.00 C ATOM 932 C ASN A 64 -4.390 -3.966 -2.492 1.00 0.00 C ATOM 933 O ASN A 64 -5.141 -4.938 -2.410 1.00 0.00 O ATOM 934 CB ASN A 64 -3.411 -4.698 -4.675 1.00 0.00 C ATOM 935 CG ASN A 64 -4.418 -3.919 -5.499 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.937 -2.894 -5.058 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.697 -4.404 -6.704 1.00 0.00 N ATOM 0 H ASN A 64 -2.336 -5.682 -2.301 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.768 -3.012 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.483 -4.797 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.789 -5.706 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.366 -3.923 -7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.242 -5.257 -7.028 1.00 0.00 H new ATOM 944 N VAL A 65 -4.626 -2.815 -1.870 1.00 0.00 N ATOM 945 CA VAL A 65 -5.808 -2.623 -1.039 1.00 0.00 C ATOM 946 C VAL A 65 -6.395 -1.229 -1.232 1.00 0.00 C ATOM 947 O VAL A 65 -5.729 -0.328 -1.743 1.00 0.00 O ATOM 948 CB VAL A 65 -5.486 -2.831 0.453 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.093 -4.276 0.718 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.384 -1.880 0.896 1.00 0.00 C ATOM 0 H VAL A 65 -4.014 -2.001 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.539 -3.368 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.381 -2.611 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.869 -4.404 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.916 -4.934 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.212 -4.527 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.168 -2.040 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.484 -2.067 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.709 -0.851 0.744 1.00 0.00 H new ATOM 960 N LEU A 66 -7.646 -1.058 -0.819 1.00 0.00 N ATOM 961 CA LEU A 66 -8.324 0.228 -0.945 1.00 0.00 C ATOM 962 C LEU A 66 -8.344 0.966 0.389 1.00 0.00 C ATOM 963 O LEU A 66 -8.502 0.354 1.446 1.00 0.00 O ATOM 964 CB LEU A 66 -9.754 0.025 -1.450 1.00 0.00 C ATOM 965 CG LEU A 66 -10.623 1.280 -1.524 1.00 0.00 C ATOM 966 CD1 LEU A 66 -10.108 2.224 -2.600 1.00 0.00 C ATOM 967 CD2 LEU A 66 -12.075 0.908 -1.789 1.00 0.00 C ATOM 0 H LEU A 66 -8.211 -1.793 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.773 0.833 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.707 -0.420 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.248 -0.697 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.569 1.793 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.739 3.112 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.084 2.517 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.131 1.721 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.679 1.814 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.146 0.372 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.440 0.272 -0.983 1.00 0.00 H new ATOM 979 N ILE A 67 -8.184 2.284 0.333 1.00 0.00 N ATOM 980 CA ILE A 67 -8.187 3.106 1.536 1.00 0.00 C ATOM 981 C ILE A 67 -9.428 2.839 2.382 1.00 0.00 C ATOM 982 O ILE A 67 -10.548 3.194 2.014 1.00 0.00 O ATOM 983 CB ILE A 67 -8.126 4.606 1.194 1.00 0.00 C ATOM 984 CG1 ILE A 67 -6.812 4.937 0.485 1.00 0.00 C ATOM 985 CG2 ILE A 67 -8.280 5.444 2.455 1.00 0.00 C ATOM 986 CD1 ILE A 67 -5.598 4.829 1.381 1.00 0.00 C ATOM 0 H ILE A 67 -8.051 2.805 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.297 2.835 2.104 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.950 4.844 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.688 4.265 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.869 5.949 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.235 6.502 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.240 5.225 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.475 5.206 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.702 5.078 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.700 5.521 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.516 3.811 1.761 1.00 0.00 H new ATOM 998 N PRO A 68 -9.226 2.199 3.543 1.00 0.00 N ATOM 999 CA PRO A 68 -10.317 1.872 4.467 1.00 0.00 C ATOM 1000 C PRO A 68 -10.900 3.111 5.137 1.00 0.00 C ATOM 1001 O PRO A 68 -10.356 4.212 5.042 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.644 0.969 5.504 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.206 1.356 5.468 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.918 1.747 4.045 1.00 0.00 C ATOM 0 HA PRO A 68 -11.158 1.404 3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.070 1.120 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.777 -0.084 5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.008 2.184 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.571 0.527 5.781 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.171 2.539 3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.535 0.906 3.467 1.00 0.00 H new ATOM 1012 N PRO A 69 -12.032 2.931 5.834 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.712 4.024 6.535 1.00 0.00 C ATOM 1014 C PRO A 69 -11.928 4.511 7.749 1.00 0.00 C ATOM 1015 O PRO A 69 -12.208 5.578 8.293 1.00 0.00 O ATOM 1016 CB PRO A 69 -14.037 3.393 6.973 1.00 0.00 C ATOM 1017 CG PRO A 69 -13.752 1.934 7.060 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.734 1.646 5.991 1.00 0.00 C ATOM 0 HA PRO A 69 -12.830 4.903 5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.366 3.790 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.830 3.599 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.368 1.669 8.045 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.658 1.349 6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.052 0.849 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.206 1.330 5.061 1.00 0.00 H new ATOM 1026 N ASN A 70 -10.943 3.722 8.167 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.118 4.074 9.317 1.00 0.00 C ATOM 1028 C ASN A 70 -8.698 3.538 9.152 1.00 0.00 C ATOM 1029 O ASN A 70 -8.489 2.331 9.040 1.00 0.00 O ATOM 1030 CB ASN A 70 -10.736 3.523 10.603 1.00 0.00 C ATOM 1031 CG ASN A 70 -9.904 3.844 11.829 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -9.491 2.947 12.565 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -9.652 5.128 12.054 1.00 0.00 N ATOM 0 H ASN A 70 -10.697 2.835 7.727 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.073 5.161 9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.737 3.937 10.728 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.847 2.442 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.096 5.404 12.863 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.014 5.838 11.418 1.00 0.00 H new ATOM 1040 N MET A 71 -7.727 4.446 9.139 1.00 0.00 N ATOM 1041 CA MET A 71 -6.328 4.064 8.990 1.00 0.00 C ATOM 1042 C MET A 71 -5.433 4.922 9.879 1.00 0.00 C ATOM 1043 O MET A 71 -5.126 6.072 9.566 1.00 0.00 O ATOM 1044 CB MET A 71 -5.893 4.197 7.529 1.00 0.00 C ATOM 1045 CG MET A 71 -4.402 3.994 7.317 1.00 0.00 C ATOM 1046 SD MET A 71 -3.474 5.538 7.386 1.00 0.00 S ATOM 1047 CE MET A 71 -1.855 4.939 7.864 1.00 0.00 C ATOM 0 H MET A 71 -7.883 5.450 9.230 1.00 0.00 H new ATOM 0 HA MET A 71 -6.227 3.023 9.298 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.439 3.470 6.928 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.172 5.185 7.164 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.021 3.311 8.076 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.238 3.519 6.350 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.334 5.711 8.430 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.965 4.048 8.482 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.280 4.693 6.971 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.004 4.351 11.014 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.138 5.046 11.971 1.00 0.00 C ATOM 1059 C PRO A 72 -2.728 5.259 11.430 1.00 0.00 C ATOM 1060 O PRO A 72 -2.095 4.324 10.938 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.111 4.103 13.176 1.00 0.00 C ATOM 1062 CG PRO A 72 -4.397 2.755 12.608 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.330 2.983 11.451 1.00 0.00 C ATOM 0 HA PRO A 72 -4.507 6.045 12.202 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.142 4.125 13.675 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.858 4.387 13.918 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.479 2.267 12.279 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.853 2.105 13.355 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.167 2.257 10.654 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.374 2.896 11.753 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.243 6.492 11.524 1.00 0.00 N ATOM 1072 CA CYS A 73 -0.907 6.826 11.042 1.00 0.00 C ATOM 1073 C CYS A 73 0.074 6.948 12.203 1.00 0.00 C ATOM 1074 O CYS A 73 -0.229 7.564 13.226 1.00 0.00 O ATOM 1075 CB CYS A 73 -0.941 8.133 10.248 1.00 0.00 C ATOM 1076 SG CYS A 73 -1.510 9.561 11.200 1.00 0.00 S ATOM 0 H CYS A 73 -2.754 7.276 11.929 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.571 6.021 10.389 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.059 8.340 9.866 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.592 8.004 9.383 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.241 9.379 12.459 1.00 0.00 H new ATOM 1082 N THR A 74 1.253 6.356 12.040 1.00 0.00 N ATOM 1083 CA THR A 74 2.279 6.395 13.075 1.00 0.00 C ATOM 1084 C THR A 74 3.671 6.512 12.465 1.00 0.00 C ATOM 1085 O THR A 74 4.229 5.529 11.977 1.00 0.00 O ATOM 1086 CB THR A 74 2.225 5.141 13.967 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.986 3.979 13.165 1.00 0.00 O ATOM 1088 CG2 THR A 74 1.133 5.271 15.018 1.00 0.00 C ATOM 0 H THR A 74 1.521 5.843 11.200 1.00 0.00 H new ATOM 0 HA THR A 74 2.078 7.275 13.686 1.00 0.00 H new ATOM 0 HB THR A 74 3.185 5.041 14.474 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.272 4.153 12.244 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.114 4.373 15.636 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.334 6.139 15.646 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.168 5.394 14.527 1.00 0.00 H new ATOM 1096 N ARG A 75 4.227 7.718 12.497 1.00 0.00 N ATOM 1097 CA ARG A 75 5.554 7.963 11.947 1.00 0.00 C ATOM 1098 C ARG A 75 6.635 7.670 12.983 1.00 0.00 C ATOM 1099 O ARG A 75 6.647 8.255 14.067 1.00 0.00 O ATOM 1100 CB ARG A 75 5.672 9.411 11.467 1.00 0.00 C ATOM 1101 CG ARG A 75 5.329 9.595 9.998 1.00 0.00 C ATOM 1102 CD ARG A 75 6.479 9.169 9.099 1.00 0.00 C ATOM 1103 NE ARG A 75 7.646 10.033 9.257 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.628 9.792 10.119 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.583 8.719 10.897 1.00 0.00 N ATOM 1106 NH2 ARG A 75 9.657 10.625 10.204 1.00 0.00 N ATOM 0 H ARG A 75 3.779 8.541 12.898 1.00 0.00 H new ATOM 0 HA ARG A 75 5.697 7.294 11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.013 10.039 12.067 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.690 9.761 11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.441 9.012 9.755 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.086 10.640 9.808 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.756 8.140 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.152 9.187 8.059 1.00 0.00 H new ATOM 0 HE ARG A 75 7.711 10.867 8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.793 8.076 10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.338 8.536 11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.695 11.451 9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.410 10.439 10.866 1.00 0.00 H new ATOM 1120 N THR A 76 7.542 6.759 12.644 1.00 0.00 N ATOM 1121 CA THR A 76 8.625 6.386 13.545 1.00 0.00 C ATOM 1122 C THR A 76 9.977 6.473 12.845 1.00 0.00 C ATOM 1123 O THR A 76 10.209 5.808 11.836 1.00 0.00 O ATOM 1124 CB THR A 76 8.435 4.959 14.093 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.553 4.594 14.909 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.282 3.959 12.957 1.00 0.00 C ATOM 0 H THR A 76 7.548 6.266 11.751 1.00 0.00 H new ATOM 0 HA THR A 76 8.602 7.092 14.375 1.00 0.00 H new ATOM 0 HB THR A 76 7.526 4.943 14.695 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.423 3.686 15.254 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.149 2.958 13.368 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.412 4.222 12.355 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.175 3.979 12.332 1.00 0.00 H new ATOM 1134 N GLY A 77 10.867 7.298 13.388 1.00 0.00 N ATOM 1135 CA GLY A 77 12.186 7.456 12.802 1.00 0.00 C ATOM 1136 C GLY A 77 12.249 8.610 11.821 1.00 0.00 C ATOM 1137 O GLY A 77 11.527 9.597 11.963 1.00 0.00 O ATOM 0 H GLY A 77 10.699 7.860 14.223 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.916 7.617 13.595 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.467 6.534 12.293 1.00 0.00 H new ATOM 1141 N LYS A 78 13.118 8.488 10.823 1.00 0.00 N ATOM 1142 CA LYS A 78 13.275 9.528 9.813 1.00 0.00 C ATOM 1143 C LYS A 78 12.916 9.000 8.428 1.00 0.00 C ATOM 1144 O LYS A 78 12.321 9.709 7.618 1.00 0.00 O ATOM 1145 CB LYS A 78 14.711 10.055 9.814 1.00 0.00 C ATOM 1146 CG LYS A 78 15.721 9.069 9.253 1.00 0.00 C ATOM 1147 CD LYS A 78 17.134 9.399 9.706 1.00 0.00 C ATOM 1148 CE LYS A 78 17.467 8.724 11.028 1.00 0.00 C ATOM 1149 NZ LYS A 78 16.899 9.464 12.188 1.00 0.00 N ATOM 0 H LYS A 78 13.725 7.679 10.692 1.00 0.00 H new ATOM 0 HA LYS A 78 12.595 10.344 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.752 10.975 9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.994 10.311 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.462 8.060 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.675 9.080 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.845 9.080 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.241 10.479 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.080 7.705 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.549 8.653 11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.480 9.285 13.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.894 10.483 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.926 9.141 12.363 1.00 0.00 H new ATOM 1163 N ASN A 79 13.282 7.750 8.163 1.00 0.00 N ATOM 1164 CA ASN A 79 12.997 7.127 6.875 1.00 0.00 C ATOM 1165 C ASN A 79 12.075 5.923 7.045 1.00 0.00 C ATOM 1166 O ASN A 79 11.976 5.075 6.160 1.00 0.00 O ATOM 1167 CB ASN A 79 14.299 6.695 6.196 1.00 0.00 C ATOM 1168 CG ASN A 79 14.830 5.384 6.745 1.00 0.00 C ATOM 1169 OD1 ASN A 79 15.009 5.232 7.953 1.00 0.00 O ATOM 1170 ND2 ASN A 79 15.085 4.431 5.856 1.00 0.00 N ATOM 0 H ASN A 79 13.776 7.149 8.822 1.00 0.00 H new ATOM 0 HA ASN A 79 12.493 7.862 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.131 6.595 5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 79 15.051 7.473 6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.445 3.528 6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.921 4.602 4.864 1.00 0.00 H new ATOM 1177 N ASN A 80 11.402 5.857 8.189 1.00 0.00 N ATOM 1178 CA ASN A 80 10.488 4.758 8.476 1.00 0.00 C ATOM 1179 C ASN A 80 9.138 5.284 8.953 1.00 0.00 C ATOM 1180 O ASN A 80 9.071 6.209 9.763 1.00 0.00 O ATOM 1181 CB ASN A 80 11.089 3.829 9.533 1.00 0.00 C ATOM 1182 CG ASN A 80 12.603 3.786 9.471 1.00 0.00 C ATOM 1183 OD1 ASN A 80 13.190 3.724 8.390 1.00 0.00 O ATOM 1184 ND2 ASN A 80 13.244 3.820 10.633 1.00 0.00 N ATOM 0 H ASN A 80 11.473 6.552 8.932 1.00 0.00 H new ATOM 0 HA ASN A 80 10.334 4.196 7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.778 4.161 10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.694 2.823 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.263 3.795 10.654 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.717 3.871 11.505 1.00 0.00 H new ATOM 1191 N VAL A 81 8.063 4.687 8.447 1.00 0.00 N ATOM 1192 CA VAL A 81 6.714 5.093 8.822 1.00 0.00 C ATOM 1193 C VAL A 81 5.801 3.883 8.986 1.00 0.00 C ATOM 1194 O VAL A 81 5.648 3.078 8.067 1.00 0.00 O ATOM 1195 CB VAL A 81 6.104 6.046 7.777 1.00 0.00 C ATOM 1196 CG1 VAL A 81 5.823 5.305 6.479 1.00 0.00 C ATOM 1197 CG2 VAL A 81 4.836 6.688 8.319 1.00 0.00 C ATOM 0 H VAL A 81 8.101 3.920 7.776 1.00 0.00 H new ATOM 0 HA VAL A 81 6.794 5.615 9.776 1.00 0.00 H new ATOM 0 HB VAL A 81 6.824 6.837 7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.392 5.994 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.753 4.897 6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.122 4.492 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.418 7.358 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.109 5.912 8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.071 7.254 9.220 1.00 0.00 H new ATOM 1207 N LEU A 82 5.196 3.761 10.162 1.00 0.00 N ATOM 1208 CA LEU A 82 4.297 2.648 10.448 1.00 0.00 C ATOM 1209 C LEU A 82 2.867 2.985 10.036 1.00 0.00 C ATOM 1210 O LEU A 82 2.401 4.107 10.235 1.00 0.00 O ATOM 1211 CB LEU A 82 4.342 2.299 11.936 1.00 0.00 C ATOM 1212 CG LEU A 82 5.377 1.252 12.349 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.670 1.350 13.838 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.895 -0.145 11.988 1.00 0.00 C ATOM 0 H LEU A 82 5.311 4.419 10.933 1.00 0.00 H new ATOM 0 HA LEU A 82 4.630 1.786 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.535 3.213 12.497 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.356 1.944 12.235 1.00 0.00 H new ATOM 0 HG LEU A 82 6.301 1.447 11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.409 0.597 14.114 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.059 2.342 14.068 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.752 1.181 14.401 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.644 -0.877 12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.958 -0.351 12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.738 -0.209 10.911 1.00 0.00 H new ATOM 1226 N ILE A 83 2.176 2.006 9.463 1.00 0.00 N ATOM 1227 CA ILE A 83 0.798 2.197 9.026 1.00 0.00 C ATOM 1228 C ILE A 83 0.000 0.903 9.142 1.00 0.00 C ATOM 1229 O ILE A 83 0.470 -0.166 8.753 1.00 0.00 O ATOM 1230 CB ILE A 83 0.733 2.699 7.572 1.00 0.00 C ATOM 1231 CG1 ILE A 83 1.523 1.766 6.651 1.00 0.00 C ATOM 1232 CG2 ILE A 83 1.267 4.121 7.477 1.00 0.00 C ATOM 1233 CD1 ILE A 83 1.031 1.769 5.221 1.00 0.00 C ATOM 0 H ILE A 83 2.548 1.072 9.290 1.00 0.00 H new ATOM 0 HA ILE A 83 0.361 2.950 9.681 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.309 2.700 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.573 2.058 6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.469 0.750 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.214 4.461 6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.666 4.778 8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.303 4.144 7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.637 1.086 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.010 1.448 5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.111 2.776 4.811 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.212 1.008 9.679 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.078 -0.153 9.844 1.00 0.00 C ATOM 1247 C VAL A 84 -3.042 -0.290 8.671 1.00 0.00 C ATOM 1248 O VAL A 84 -3.852 0.602 8.412 1.00 0.00 O ATOM 1249 CB VAL A 84 -2.887 -0.069 11.152 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.643 -1.366 11.396 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -1.972 0.253 12.324 1.00 0.00 C ATOM 0 H VAL A 84 -1.616 1.885 10.007 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.430 -1.028 9.882 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.616 0.736 11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.209 -1.288 12.324 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.328 -1.549 10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.935 -2.191 11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.560 0.309 13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.219 -0.529 12.423 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.481 1.210 12.150 1.00 0.00 H new ATOM 1261 N CYS A 85 -2.951 -1.411 7.965 1.00 0.00 N ATOM 1262 CA CYS A 85 -3.816 -1.666 6.818 1.00 0.00 C ATOM 1263 C CYS A 85 -4.024 -3.163 6.615 1.00 0.00 C ATOM 1264 O CYS A 85 -3.278 -3.982 7.152 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.217 -1.046 5.554 1.00 0.00 C ATOM 1266 SG CYS A 85 -1.573 -1.669 5.134 1.00 0.00 S ATOM 0 H CYS A 85 -2.287 -2.158 8.166 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.785 -1.207 7.016 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -3.889 -1.233 4.717 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.162 0.035 5.683 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.422 -2.862 5.627 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.043 -3.513 5.838 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.350 -4.912 5.564 1.00 0.00 C ATOM 1274 C VAL A 86 -4.502 -5.447 4.416 1.00 0.00 C ATOM 1275 O VAL A 86 -4.571 -4.966 3.285 1.00 0.00 O ATOM 1276 CB VAL A 86 -6.840 -5.103 5.221 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.131 -6.561 4.900 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.717 -4.614 6.363 1.00 0.00 C ATOM 0 H VAL A 86 -5.670 -2.847 5.387 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.119 -5.470 6.472 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.071 -4.508 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.188 -6.677 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.529 -6.873 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.885 -7.180 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.766 -4.757 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.487 -5.179 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.528 -3.555 6.539 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.682 -6.466 4.711 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.805 -7.090 3.716 1.00 0.00 C ATOM 1290 C PRO A 87 -3.583 -7.889 2.676 1.00 0.00 C ATOM 1291 O PRO A 87 -4.332 -8.804 3.016 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.923 -8.019 4.553 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.736 -8.324 5.763 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.548 -7.089 6.038 1.00 0.00 C ATOM 0 HA PRO A 87 -2.246 -6.349 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.673 -8.927 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.982 -7.538 4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.382 -9.186 5.592 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.097 -8.568 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.520 -7.334 6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.046 -6.427 6.744 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.401 -7.536 1.407 1.00 0.00 N ATOM 1303 CA ASN A 88 -4.087 -8.221 0.318 1.00 0.00 C ATOM 1304 C ASN A 88 -3.090 -8.723 -0.722 1.00 0.00 C ATOM 1305 O ASN A 88 -2.405 -7.947 -1.388 1.00 0.00 O ATOM 1306 CB ASN A 88 -5.101 -7.284 -0.343 1.00 0.00 C ATOM 1307 CG ASN A 88 -6.222 -8.039 -1.030 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -6.218 -8.203 -2.250 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -7.191 -8.501 -0.248 1.00 0.00 N ATOM 0 H ASN A 88 -2.785 -6.780 1.108 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.613 -9.079 0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.523 -6.619 0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.590 -6.655 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.973 -9.015 -0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.153 -8.342 0.759 1.00 0.00 H new ATOM 1316 N PRO A 89 -3.006 -10.054 -0.866 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.816 -10.988 -0.078 1.00 0.00 C ATOM 1318 C PRO A 89 -3.399 -11.022 1.388 1.00 0.00 C ATOM 1319 O PRO A 89 -2.294 -10.623 1.754 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.544 -12.340 -0.743 1.00 0.00 C ATOM 1321 CG PRO A 89 -2.206 -12.188 -1.379 1.00 0.00 C ATOM 1322 CD PRO A 89 -2.113 -10.750 -1.808 1.00 0.00 C ATOM 0 HA PRO A 89 -4.869 -10.707 -0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.545 -13.148 -0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.309 -12.578 -1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.410 -12.438 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.101 -12.858 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.091 -10.377 -1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.436 -10.617 -2.841 1.00 0.00 H new ATOM 1330 N PRO A 90 -4.304 -11.510 2.250 1.00 0.00 N ATOM 1331 CA PRO A 90 -4.052 -11.608 3.691 1.00 0.00 C ATOM 1332 C PRO A 90 -3.014 -12.674 4.026 1.00 0.00 C ATOM 1333 O PRO A 90 -3.193 -13.850 3.709 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.418 -11.994 4.264 1.00 0.00 C ATOM 1335 CG PRO A 90 -6.122 -12.675 3.141 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.643 -12.003 1.884 1.00 0.00 C ATOM 0 HA PRO A 90 -3.650 -10.681 4.099 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.314 -12.655 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.968 -11.116 4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.893 -13.741 3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.203 -12.583 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.600 -12.700 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.304 -11.189 1.587 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.930 -12.254 4.669 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.864 -13.173 5.049 1.00 0.00 C ATOM 1346 C ILE A 91 -1.410 -14.343 5.861 1.00 0.00 C ATOM 1347 O ILE A 91 -1.064 -15.498 5.614 1.00 0.00 O ATOM 1348 CB ILE A 91 0.229 -12.461 5.867 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.782 -11.265 5.088 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.345 -13.433 6.219 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.432 -10.220 5.967 1.00 0.00 C ATOM 0 H ILE A 91 -1.767 -11.284 4.938 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.427 -13.548 4.124 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.212 -12.094 6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.512 -11.621 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.029 -10.802 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.110 -12.915 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.939 -14.255 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.787 -13.827 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.801 -9.402 5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.700 -9.836 6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.264 -10.668 6.510 1.00 0.00 H new ATOM 1363 N ASP A 92 -2.266 -14.035 6.829 1.00 0.00 N ATOM 1364 CA ASP A 92 -2.863 -15.060 7.677 1.00 0.00 C ATOM 1365 C ASP A 92 -4.381 -15.068 7.533 1.00 0.00 C ATOM 1366 O ASP A 92 -4.991 -14.040 7.239 1.00 0.00 O ATOM 1367 CB ASP A 92 -2.478 -14.832 9.139 1.00 0.00 C ATOM 1368 CG ASP A 92 -0.999 -14.542 9.310 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -0.191 -15.116 8.551 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -0.651 -13.742 10.204 1.00 0.00 O ATOM 0 H ASP A 92 -2.562 -13.083 7.046 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.480 -16.029 7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.057 -13.999 9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.742 -15.714 9.723 1.00 0.00 H new ATOM 1375 N GLU A 93 -4.985 -16.234 7.742 1.00 0.00 N ATOM 1376 CA GLU A 93 -6.432 -16.374 7.633 1.00 0.00 C ATOM 1377 C GLU A 93 -7.113 -16.032 8.955 1.00 0.00 C ATOM 1378 O GLU A 93 -8.133 -15.342 8.982 1.00 0.00 O ATOM 1379 CB GLU A 93 -6.799 -17.799 7.213 1.00 0.00 C ATOM 1380 CG GLU A 93 -6.338 -18.861 8.196 1.00 0.00 C ATOM 1381 CD GLU A 93 -6.422 -20.263 7.623 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -7.535 -20.828 7.601 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -5.375 -20.794 7.198 1.00 0.00 O ATOM 0 H GLU A 93 -4.495 -17.094 7.987 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.782 -15.676 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.881 -17.868 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.361 -18.005 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.309 -18.655 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.947 -18.804 9.098 1.00 0.00 H new ATOM 1390 N LYS A 94 -6.542 -16.519 10.052 1.00 0.00 N ATOM 1391 CA LYS A 94 -7.090 -16.265 11.378 1.00 0.00 C ATOM 1392 C LYS A 94 -7.380 -14.780 11.573 1.00 0.00 C ATOM 1393 O LYS A 94 -8.425 -14.406 12.104 1.00 0.00 O ATOM 1394 CB LYS A 94 -6.119 -16.751 12.456 1.00 0.00 C ATOM 1395 CG LYS A 94 -5.985 -18.263 12.517 1.00 0.00 C ATOM 1396 CD LYS A 94 -5.094 -18.698 13.669 1.00 0.00 C ATOM 1397 CE LYS A 94 -5.001 -20.213 13.760 1.00 0.00 C ATOM 1398 NZ LYS A 94 -4.515 -20.660 15.095 1.00 0.00 N ATOM 0 H LYS A 94 -5.699 -17.093 10.048 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.027 -16.815 11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.137 -16.315 12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.454 -16.385 13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.972 -18.712 12.629 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.572 -18.631 11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.097 -18.278 13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.487 -18.300 14.605 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.981 -20.649 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.328 -20.583 12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.466 -21.699 15.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.569 -20.265 15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.170 -20.329 15.832 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.448 -13.938 11.138 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.605 -12.493 11.263 1.00 0.00 C ATOM 1414 C ASN A 95 -6.731 -11.839 9.891 1.00 0.00 C ATOM 1415 O ASN A 95 -6.619 -10.620 9.760 1.00 0.00 O ATOM 1416 CB ASN A 95 -5.417 -11.895 12.019 1.00 0.00 C ATOM 1417 CG ASN A 95 -4.103 -12.109 11.293 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -3.882 -11.563 10.212 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -3.223 -12.907 11.886 1.00 0.00 N ATOM 0 H ASN A 95 -5.577 -14.231 10.696 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.519 -12.298 11.823 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.581 -10.827 12.161 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.358 -12.343 13.011 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.321 -13.089 11.445 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.449 -13.338 12.782 1.00 0.00 H new ATOM 1426 N ALA A 96 -6.966 -12.657 8.870 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.111 -12.158 7.509 1.00 0.00 C ATOM 1428 C ALA A 96 -7.922 -10.867 7.480 1.00 0.00 C ATOM 1429 O ALA A 96 -7.426 -9.818 7.067 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.763 -13.212 6.626 1.00 0.00 C ATOM 0 H ALA A 96 -7.060 -13.669 8.960 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.116 -11.940 7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.865 -12.825 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.143 -14.109 6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.749 -13.458 7.021 1.00 0.00 H new ATOM 1436 N THR A 97 -9.174 -10.950 7.921 1.00 0.00 N ATOM 1437 CA THR A 97 -10.054 -9.789 7.945 1.00 0.00 C ATOM 1438 C THR A 97 -9.423 -8.635 8.716 1.00 0.00 C ATOM 1439 O THR A 97 -9.478 -7.484 8.284 1.00 0.00 O ATOM 1440 CB THR A 97 -11.417 -10.130 8.577 1.00 0.00 C ATOM 1441 OG1 THR A 97 -11.222 -10.765 9.846 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.223 -11.043 7.666 1.00 0.00 C ATOM 0 H THR A 97 -9.601 -11.810 8.266 1.00 0.00 H new ATOM 0 HA THR A 97 -10.207 -9.488 6.909 1.00 0.00 H new ATOM 0 HB THR A 97 -11.971 -9.202 8.716 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.093 -10.977 10.243 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.181 -11.270 8.134 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.394 -10.546 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.672 -11.969 7.499 1.00 0.00 H new ATOM 1450 N MET A 98 -8.823 -8.952 9.859 1.00 0.00 N ATOM 1451 CA MET A 98 -8.179 -7.941 10.689 1.00 0.00 C ATOM 1452 C MET A 98 -6.877 -7.464 10.054 1.00 0.00 C ATOM 1453 O MET A 98 -6.104 -8.248 9.503 1.00 0.00 O ATOM 1454 CB MET A 98 -7.904 -8.498 12.087 1.00 0.00 C ATOM 1455 CG MET A 98 -7.166 -7.526 12.994 1.00 0.00 C ATOM 1456 SD MET A 98 -6.503 -8.321 14.470 1.00 0.00 S ATOM 1457 CE MET A 98 -5.455 -7.019 15.114 1.00 0.00 C ATOM 0 H MET A 98 -8.770 -9.900 10.231 1.00 0.00 H new ATOM 0 HA MET A 98 -8.855 -7.090 10.771 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.851 -8.770 12.554 1.00 0.00 H new ATOM 0 HB3 MET A 98 -7.319 -9.413 11.996 1.00 0.00 H new ATOM 0 HG2 MET A 98 -6.351 -7.064 12.438 1.00 0.00 H new ATOM 0 HG3 MET A 98 -7.844 -6.726 13.290 1.00 0.00 H new ATOM 0 HE1 MET A 98 -4.973 -7.360 16.030 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.694 -6.766 14.376 1.00 0.00 H new ATOM 0 HE3 MET A 98 -6.060 -6.138 15.328 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.627 -6.148 10.130 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.419 -5.538 9.567 1.00 0.00 C ATOM 1469 C PRO A 99 -4.162 -5.921 10.341 1.00 0.00 C ATOM 1470 O PRO A 99 -4.240 -6.420 11.464 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.688 -4.036 9.694 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.652 -3.918 10.824 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.505 -5.155 10.771 1.00 0.00 C ATOM 0 HA PRO A 99 -5.235 -5.867 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.770 -3.485 9.898 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.106 -3.629 8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.129 -3.845 11.777 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.261 -3.019 10.725 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.812 -5.474 11.767 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.415 -4.991 10.194 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.004 -5.684 9.734 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.729 -6.002 10.367 1.00 0.00 C ATOM 1483 C VAL A 100 -0.778 -4.812 10.317 1.00 0.00 C ATOM 1484 O VAL A 100 -0.953 -3.896 9.514 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.056 -7.213 9.695 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -2.019 -8.388 9.622 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.552 -6.840 8.309 1.00 0.00 C ATOM 0 H VAL A 100 -2.922 -5.273 8.804 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.944 -6.247 11.407 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.201 -7.513 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.525 -9.234 9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.327 -8.669 10.629 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.896 -8.104 9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.079 -7.707 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.390 -6.513 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.175 -6.032 8.391 1.00 0.00 H new ATOM 1497 N THR A 101 0.232 -4.832 11.181 1.00 0.00 N ATOM 1498 CA THR A 101 1.212 -3.755 11.237 1.00 0.00 C ATOM 1499 C THR A 101 2.103 -3.758 9.999 1.00 0.00 C ATOM 1500 O THR A 101 2.581 -4.807 9.570 1.00 0.00 O ATOM 1501 CB THR A 101 2.098 -3.865 12.492 1.00 0.00 C ATOM 1502 OG1 THR A 101 1.281 -3.880 13.668 1.00 0.00 O ATOM 1503 CG2 THR A 101 3.079 -2.705 12.565 1.00 0.00 C ATOM 0 H THR A 101 0.393 -5.583 11.852 1.00 0.00 H new ATOM 0 HA THR A 101 0.652 -2.821 11.278 1.00 0.00 H new ATOM 0 HB THR A 101 2.663 -4.795 12.431 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.851 -3.952 14.462 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.694 -2.804 13.460 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.718 -2.713 11.682 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.529 -1.765 12.606 1.00 0.00 H new ATOM 1511 N MET A 102 2.321 -2.576 9.431 1.00 0.00 N ATOM 1512 CA MET A 102 3.156 -2.443 8.243 1.00 0.00 C ATOM 1513 C MET A 102 4.075 -1.231 8.357 1.00 0.00 C ATOM 1514 O MET A 102 3.714 -0.220 8.960 1.00 0.00 O ATOM 1515 CB MET A 102 2.285 -2.320 6.991 1.00 0.00 C ATOM 1516 CG MET A 102 1.750 -3.652 6.490 1.00 0.00 C ATOM 1517 SD MET A 102 1.113 -3.555 4.806 1.00 0.00 S ATOM 1518 CE MET A 102 2.111 -4.802 3.994 1.00 0.00 C ATOM 0 H MET A 102 1.931 -1.698 9.774 1.00 0.00 H new ATOM 0 HA MET A 102 3.772 -3.338 8.162 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.446 -1.658 7.206 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.867 -1.850 6.198 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.545 -4.397 6.531 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.957 -3.994 7.155 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.859 -4.836 2.934 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.166 -4.554 4.108 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.916 -5.775 4.445 1.00 0.00 H new ATOM 1528 N LEU A 103 5.265 -1.340 7.776 1.00 0.00 N ATOM 1529 CA LEU A 103 6.237 -0.252 7.813 1.00 0.00 C ATOM 1530 C LEU A 103 6.765 0.054 6.416 1.00 0.00 C ATOM 1531 O LEU A 103 6.985 -0.853 5.612 1.00 0.00 O ATOM 1532 CB LEU A 103 7.398 -0.611 8.742 1.00 0.00 C ATOM 1533 CG LEU A 103 8.324 0.541 9.135 1.00 0.00 C ATOM 1534 CD1 LEU A 103 8.907 0.308 10.520 1.00 0.00 C ATOM 1535 CD2 LEU A 103 9.434 0.707 8.108 1.00 0.00 C ATOM 0 H LEU A 103 5.580 -2.170 7.274 1.00 0.00 H new ATOM 0 HA LEU A 103 5.736 0.637 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.987 -1.047 9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.997 -1.384 8.260 1.00 0.00 H new ATOM 0 HG LEU A 103 7.739 1.460 9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.563 1.138 10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.099 0.240 11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.477 -0.621 10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.083 1.531 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.017 -0.212 8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.998 0.921 7.132 1.00 0.00 H new ATOM 1547 N ILE A 104 6.968 1.337 6.133 1.00 0.00 N ATOM 1548 CA ILE A 104 7.474 1.762 4.834 1.00 0.00 C ATOM 1549 C ILE A 104 8.811 2.480 4.973 1.00 0.00 C ATOM 1550 O ILE A 104 8.870 3.620 5.435 1.00 0.00 O ATOM 1551 CB ILE A 104 6.476 2.692 4.118 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.383 1.871 3.432 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.201 3.569 3.109 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.305 2.717 2.791 1.00 0.00 C ATOM 0 H ILE A 104 6.790 2.100 6.786 1.00 0.00 H new ATOM 0 HA ILE A 104 7.610 0.860 4.238 1.00 0.00 H new ATOM 0 HB ILE A 104 6.006 3.338 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.839 1.239 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.925 1.207 4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.483 4.221 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.946 4.176 3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.694 2.940 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.564 2.069 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.823 3.330 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.751 3.363 2.034 1.00 0.00 H new ATOM 1566 N ARG A 105 9.883 1.807 4.569 1.00 0.00 N ATOM 1567 CA ARG A 105 11.221 2.381 4.648 1.00 0.00 C ATOM 1568 C ARG A 105 11.663 2.918 3.290 1.00 0.00 C ATOM 1569 O ARG A 105 11.931 2.151 2.365 1.00 0.00 O ATOM 1570 CB ARG A 105 12.220 1.334 5.145 1.00 0.00 C ATOM 1571 CG ARG A 105 12.092 1.026 6.627 1.00 0.00 C ATOM 1572 CD ARG A 105 13.417 0.571 7.218 1.00 0.00 C ATOM 1573 NE ARG A 105 13.824 -0.736 6.710 1.00 0.00 N ATOM 1574 CZ ARG A 105 15.085 -1.152 6.676 1.00 0.00 C ATOM 1575 NH1 ARG A 105 16.057 -0.367 7.118 1.00 0.00 N ATOM 1576 NH2 ARG A 105 15.375 -2.355 6.199 1.00 0.00 N ATOM 0 H ARG A 105 9.851 0.863 4.183 1.00 0.00 H new ATOM 0 HA ARG A 105 11.193 3.210 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.081 0.414 4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 105 13.232 1.684 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.742 1.913 7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.341 0.250 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.188 1.306 6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.333 0.528 8.304 1.00 0.00 H new ATOM 0 HE ARG A 105 13.100 -1.364 6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.838 0.559 7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.025 -0.689 7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 105 14.629 -2.962 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 105 16.344 -2.674 6.173 1.00 0.00 H new ATOM 1590 N VAL A 106 11.737 4.240 3.177 1.00 0.00 N ATOM 1591 CA VAL A 106 12.147 4.880 1.932 1.00 0.00 C ATOM 1592 C VAL A 106 13.637 5.198 1.943 1.00 0.00 C ATOM 1593 O VAL A 106 14.295 5.110 2.981 1.00 0.00 O ATOM 1594 CB VAL A 106 11.357 6.178 1.682 1.00 0.00 C ATOM 1595 CG1 VAL A 106 11.820 7.275 2.628 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.501 6.617 0.233 1.00 0.00 C ATOM 0 H VAL A 106 11.518 4.889 3.933 1.00 0.00 H new ATOM 0 HA VAL A 106 11.935 4.175 1.128 1.00 0.00 H new ATOM 0 HB VAL A 106 10.302 5.985 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.251 8.185 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.661 6.958 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 106 12.880 7.470 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.937 7.536 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.553 6.794 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.117 5.836 -0.424 1.00 0.00 H new ATOM 1606 N LYS A 107 14.166 5.570 0.782 1.00 0.00 N ATOM 1607 CA LYS A 107 15.580 5.904 0.657 1.00 0.00 C ATOM 1608 C LYS A 107 15.957 7.038 1.604 1.00 0.00 C ATOM 1609 O LYS A 107 16.812 6.876 2.475 1.00 0.00 O ATOM 1610 CB LYS A 107 15.905 6.300 -0.785 1.00 0.00 C ATOM 1611 CG LYS A 107 16.350 5.134 -1.651 1.00 0.00 C ATOM 1612 CD LYS A 107 16.940 5.610 -2.968 1.00 0.00 C ATOM 1613 CE LYS A 107 17.225 4.445 -3.904 1.00 0.00 C ATOM 1614 NZ LYS A 107 16.037 4.095 -4.731 1.00 0.00 N ATOM 0 H LYS A 107 13.636 5.648 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 107 16.162 5.022 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.024 6.760 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 107 16.690 7.056 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.090 4.542 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.500 4.480 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.249 6.303 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.862 6.159 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 107 18.060 4.699 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.530 3.576 -3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.272 3.297 -5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 15.248 3.828 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.761 4.916 -5.307 1.00 0.00 H new ATOM 1628 N THR A 108 15.312 8.188 1.430 1.00 0.00 N ATOM 1629 CA THR A 108 15.580 9.349 2.269 1.00 0.00 C ATOM 1630 C THR A 108 14.359 9.717 3.104 1.00 0.00 C ATOM 1631 O THR A 108 13.223 9.595 2.646 1.00 0.00 O ATOM 1632 CB THR A 108 15.997 10.568 1.425 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.961 10.896 0.492 1.00 0.00 O ATOM 1634 CG2 THR A 108 17.291 10.290 0.675 1.00 0.00 C ATOM 0 H THR A 108 14.600 8.340 0.715 1.00 0.00 H new ATOM 0 HA THR A 108 16.402 9.077 2.932 1.00 0.00 H new ATOM 0 HB THR A 108 16.159 11.410 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 108 15.233 11.673 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 108 17.565 11.165 0.086 1.00 0.00 H new ATOM 0 HG22 THR A 108 18.085 10.069 1.389 1.00 0.00 H new ATOM 0 HG23 THR A 108 17.151 9.436 0.012 1.00 0.00 H new ATOM 1642 N SER A 109 14.601 10.169 4.330 1.00 0.00 N ATOM 1643 CA SER A 109 13.519 10.552 5.230 1.00 0.00 C ATOM 1644 C SER A 109 12.532 11.481 4.530 1.00 0.00 C ATOM 1645 O SER A 109 11.337 11.198 4.466 1.00 0.00 O ATOM 1646 CB SER A 109 14.084 11.236 6.477 1.00 0.00 C ATOM 1647 OG SER A 109 13.084 11.987 7.143 1.00 0.00 O ATOM 0 H SER A 109 15.536 10.279 4.723 1.00 0.00 H new ATOM 0 HA SER A 109 12.990 9.647 5.528 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.491 10.485 7.154 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.908 11.891 6.195 1.00 0.00 H new ATOM 0 HG SER A 109 12.439 11.377 7.558 1.00 0.00 H new ATOM 1653 N GLU A 110 13.043 12.590 4.005 1.00 0.00 N ATOM 1654 CA GLU A 110 12.207 13.561 3.310 1.00 0.00 C ATOM 1655 C GLU A 110 11.143 12.860 2.470 1.00 0.00 C ATOM 1656 O GLU A 110 9.996 13.302 2.407 1.00 0.00 O ATOM 1657 CB GLU A 110 13.065 14.461 2.418 1.00 0.00 C ATOM 1658 CG GLU A 110 13.738 13.721 1.275 1.00 0.00 C ATOM 1659 CD GLU A 110 15.048 14.360 0.857 1.00 0.00 C ATOM 1660 OE1 GLU A 110 15.877 14.651 1.745 1.00 0.00 O ATOM 1661 OE2 GLU A 110 15.245 14.570 -0.358 1.00 0.00 O ATOM 0 H GLU A 110 14.031 12.838 4.048 1.00 0.00 H new ATOM 0 HA GLU A 110 11.708 14.175 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.440 15.254 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.829 14.941 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 110 13.921 12.689 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.063 13.691 0.419 1.00 0.00 H new ATOM 1668 N ASP A 111 11.533 11.766 1.826 1.00 0.00 N ATOM 1669 CA ASP A 111 10.614 11.002 0.990 1.00 0.00 C ATOM 1670 C ASP A 111 9.529 10.344 1.836 1.00 0.00 C ATOM 1671 O ASP A 111 8.364 10.296 1.442 1.00 0.00 O ATOM 1672 CB ASP A 111 11.375 9.939 0.197 1.00 0.00 C ATOM 1673 CG ASP A 111 12.331 10.544 -0.812 1.00 0.00 C ATOM 1674 OD1 ASP A 111 12.579 11.765 -0.737 1.00 0.00 O ATOM 1675 OD2 ASP A 111 12.831 9.796 -1.679 1.00 0.00 O ATOM 0 H ASP A 111 12.479 11.388 1.867 1.00 0.00 H new ATOM 0 HA ASP A 111 10.138 11.692 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.932 9.305 0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.663 9.297 -0.321 1.00 0.00 H new ATOM 1680 N ALA A 112 9.920 9.836 3.001 1.00 0.00 N ATOM 1681 CA ALA A 112 8.981 9.181 3.903 1.00 0.00 C ATOM 1682 C ALA A 112 7.808 10.097 4.233 1.00 0.00 C ATOM 1683 O ALA A 112 6.657 9.780 3.933 1.00 0.00 O ATOM 1684 CB ALA A 112 9.690 8.747 5.177 1.00 0.00 C ATOM 0 H ALA A 112 10.881 9.866 3.342 1.00 0.00 H new ATOM 0 HA ALA A 112 8.587 8.297 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.977 8.259 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 112 10.490 8.050 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.111 9.621 5.675 1.00 0.00 H new ATOM 1690 N ASP A 113 8.107 11.233 4.854 1.00 0.00 N ATOM 1691 CA ASP A 113 7.076 12.195 5.226 1.00 0.00 C ATOM 1692 C ASP A 113 6.077 12.387 4.089 1.00 0.00 C ATOM 1693 O ASP A 113 4.870 12.460 4.317 1.00 0.00 O ATOM 1694 CB ASP A 113 7.710 13.537 5.596 1.00 0.00 C ATOM 1695 CG ASP A 113 6.764 14.430 6.373 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.168 13.948 7.358 1.00 0.00 O ATOM 1697 OD2 ASP A 113 6.618 15.612 5.995 1.00 0.00 O ATOM 0 H ASP A 113 9.055 11.510 5.110 1.00 0.00 H new ATOM 0 HA ASP A 113 6.543 11.803 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.607 13.360 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.025 14.050 4.687 1.00 0.00 H new ATOM 1702 N GLU A 114 6.589 12.470 2.865 1.00 0.00 N ATOM 1703 CA GLU A 114 5.741 12.656 1.694 1.00 0.00 C ATOM 1704 C GLU A 114 4.670 11.570 1.620 1.00 0.00 C ATOM 1705 O GLU A 114 3.502 11.853 1.352 1.00 0.00 O ATOM 1706 CB GLU A 114 6.585 12.642 0.418 1.00 0.00 C ATOM 1707 CG GLU A 114 5.802 13.000 -0.834 1.00 0.00 C ATOM 1708 CD GLU A 114 5.741 14.495 -1.077 1.00 0.00 C ATOM 1709 OE1 GLU A 114 5.544 15.247 -0.099 1.00 0.00 O ATOM 1710 OE2 GLU A 114 5.890 14.914 -2.244 1.00 0.00 O ATOM 0 H GLU A 114 7.586 12.411 2.659 1.00 0.00 H new ATOM 0 HA GLU A 114 5.248 13.624 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.412 13.343 0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.022 11.651 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.260 12.514 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.789 12.608 -0.748 1.00 0.00 H new ATOM 1717 N LEU A 115 5.077 10.329 1.859 1.00 0.00 N ATOM 1718 CA LEU A 115 4.154 9.200 1.819 1.00 0.00 C ATOM 1719 C LEU A 115 3.048 9.364 2.856 1.00 0.00 C ATOM 1720 O LEU A 115 1.866 9.413 2.516 1.00 0.00 O ATOM 1721 CB LEU A 115 4.908 7.891 2.062 1.00 0.00 C ATOM 1722 CG LEU A 115 4.186 6.612 1.635 1.00 0.00 C ATOM 1723 CD1 LEU A 115 2.750 6.617 2.136 1.00 0.00 C ATOM 1724 CD2 LEU A 115 4.225 6.458 0.122 1.00 0.00 C ATOM 0 H LEU A 115 6.040 10.078 2.083 1.00 0.00 H new ATOM 0 HA LEU A 115 3.697 9.170 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.861 7.940 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.136 7.818 3.125 1.00 0.00 H new ATOM 0 HG LEU A 115 4.701 5.761 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.252 5.699 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.745 6.679 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.223 7.476 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.707 5.543 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.735 7.313 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.261 6.408 -0.212 1.00 0.00 H new ATOM 1736 N HIS A 116 3.441 9.451 4.123 1.00 0.00 N ATOM 1737 CA HIS A 116 2.483 9.613 5.211 1.00 0.00 C ATOM 1738 C HIS A 116 1.588 10.825 4.971 1.00 0.00 C ATOM 1739 O HIS A 116 0.384 10.781 5.222 1.00 0.00 O ATOM 1740 CB HIS A 116 3.214 9.760 6.546 1.00 0.00 C ATOM 1741 CG HIS A 116 2.322 10.175 7.675 1.00 0.00 C ATOM 1742 ND1 HIS A 116 1.676 11.392 7.716 1.00 0.00 N ATOM 1743 CD2 HIS A 116 1.969 9.525 8.809 1.00 0.00 C ATOM 1744 CE1 HIS A 116 0.965 11.474 8.827 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.126 10.354 9.507 1.00 0.00 N ATOM 0 H HIS A 116 4.416 9.412 4.421 1.00 0.00 H new ATOM 0 HA HIS A 116 1.856 8.722 5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.687 8.811 6.798 1.00 0.00 H new ATOM 0 HB3 HIS A 116 4.012 10.495 6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.291 8.538 9.109 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.356 12.314 9.127 1.00 0.00 H new ATOM 0 HE2 HIS A 116 0.694 10.139 10.406 1.00 0.00 H new ATOM 1753 N LYS A 117 2.186 11.908 4.486 1.00 0.00 N ATOM 1754 CA LYS A 117 1.444 13.134 4.211 1.00 0.00 C ATOM 1755 C LYS A 117 0.283 12.865 3.259 1.00 0.00 C ATOM 1756 O LYS A 117 -0.881 13.032 3.624 1.00 0.00 O ATOM 1757 CB LYS A 117 2.373 14.193 3.614 1.00 0.00 C ATOM 1758 CG LYS A 117 1.970 15.617 3.954 1.00 0.00 C ATOM 1759 CD LYS A 117 2.481 16.029 5.325 1.00 0.00 C ATOM 1760 CE LYS A 117 2.481 17.541 5.489 1.00 0.00 C ATOM 1761 NZ LYS A 117 1.127 18.062 5.827 1.00 0.00 N ATOM 0 H LYS A 117 3.182 11.962 4.275 1.00 0.00 H new ATOM 0 HA LYS A 117 1.040 13.504 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.388 14.017 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.392 14.079 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.363 16.298 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.884 15.705 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.858 15.578 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.492 15.647 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.184 17.821 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.830 18.006 4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.169 19.096 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.461 17.817 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.805 17.637 6.720 1.00 0.00 H new ATOM 1775 N ILE A 118 0.608 12.448 2.040 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.409 12.154 1.038 1.00 0.00 C ATOM 1777 C ILE A 118 -1.500 11.255 1.609 1.00 0.00 C ATOM 1778 O ILE A 118 -2.682 11.604 1.590 1.00 0.00 O ATOM 1779 CB ILE A 118 0.202 11.477 -0.202 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.205 12.413 -0.880 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.893 11.070 -1.178 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.013 11.745 -1.971 1.00 0.00 C ATOM 0 H ILE A 118 1.567 12.306 1.723 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.846 13.108 0.743 1.00 0.00 H new ATOM 0 HB ILE A 118 0.730 10.578 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.668 13.262 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.885 12.810 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.445 10.593 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.573 10.371 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.446 11.954 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.703 12.468 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.577 10.914 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.342 11.372 -2.744 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.097 10.096 2.119 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.041 9.146 2.698 1.00 0.00 C ATOM 1796 C LEU A 119 -3.170 9.872 3.422 1.00 0.00 C ATOM 1797 O LEU A 119 -4.347 9.664 3.125 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.319 8.208 3.667 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.711 6.946 3.052 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.144 6.213 4.074 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.804 6.034 2.515 1.00 0.00 C ATOM 0 H LEU A 119 -0.124 9.792 2.143 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.473 8.560 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.523 8.768 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.023 7.907 4.443 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.072 7.242 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.568 5.318 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.950 6.866 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.472 5.929 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.353 5.142 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.469 5.745 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.374 6.561 1.750 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.804 10.727 4.371 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.786 11.487 5.137 1.00 0.00 C ATOM 1815 C LEU A 120 -4.799 12.154 4.212 1.00 0.00 C ATOM 1816 O LEU A 120 -6.004 12.105 4.458 1.00 0.00 O ATOM 1817 CB LEU A 120 -3.087 12.543 5.994 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.308 12.021 7.201 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -1.491 13.137 7.833 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -3.255 11.406 8.222 1.00 0.00 C ATOM 0 H LEU A 120 -1.834 10.911 4.628 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.318 10.794 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.400 13.102 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.838 13.249 6.349 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.622 11.246 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.943 12.746 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.786 13.531 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.157 13.935 8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.683 11.040 9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.966 12.160 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.795 10.577 7.764 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.302 12.774 3.147 1.00 0.00 N ATOM 1833 CA GLU A 121 -5.165 13.450 2.185 1.00 0.00 C ATOM 1834 C GLU A 121 -5.972 12.439 1.375 1.00 0.00 C ATOM 1835 O GLU A 121 -7.140 12.669 1.061 1.00 0.00 O ATOM 1836 CB GLU A 121 -4.332 14.324 1.245 1.00 0.00 C ATOM 1837 CG GLU A 121 -4.100 15.731 1.769 1.00 0.00 C ATOM 1838 CD GLU A 121 -5.344 16.595 1.692 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -6.361 16.229 2.317 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -5.299 17.638 1.007 1.00 0.00 O ATOM 0 H GLU A 121 -3.307 12.822 2.928 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.858 14.083 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.368 13.845 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.832 14.383 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.762 15.678 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -3.300 16.201 1.197 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.341 11.320 1.039 1.00 0.00 N ATOM 1848 CA LYS A 122 -5.998 10.273 0.266 1.00 0.00 C ATOM 1849 C LYS A 122 -6.953 9.468 1.142 1.00 0.00 C ATOM 1850 O LYS A 122 -7.513 8.461 0.707 1.00 0.00 O ATOM 1851 CB LYS A 122 -4.957 9.342 -0.360 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.002 10.048 -1.308 1.00 0.00 C ATOM 1853 CD LYS A 122 -4.703 10.485 -2.583 1.00 0.00 C ATOM 1854 CE LYS A 122 -3.944 11.602 -3.282 1.00 0.00 C ATOM 1855 NZ LYS A 122 -4.220 12.930 -2.667 1.00 0.00 N ATOM 0 H LYS A 122 -4.374 11.114 1.290 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.574 10.750 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.382 8.867 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.471 8.547 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.572 10.918 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.176 9.382 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.800 9.633 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.712 10.822 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.874 11.397 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.221 11.625 -4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.684 13.665 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.237 13.138 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.932 12.916 -1.668 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.135 9.918 2.379 1.00 0.00 N ATOM 1870 CA LYS A 123 -8.024 9.242 3.317 1.00 0.00 C ATOM 1871 C LYS A 123 -8.899 10.247 4.058 1.00 0.00 C ATOM 1872 O LYS A 123 -8.399 11.074 4.822 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.211 8.420 4.319 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.915 9.158 5.613 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.111 8.298 6.575 1.00 0.00 C ATOM 1876 CE LYS A 123 -5.185 9.143 7.436 1.00 0.00 C ATOM 1877 NZ LYS A 123 -5.011 8.563 8.797 1.00 0.00 N ATOM 0 H LYS A 123 -6.678 10.749 2.756 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.671 8.574 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.754 7.503 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.270 8.125 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -6.364 10.072 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.851 9.456 6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.790 7.733 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.525 7.572 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -4.213 9.227 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.588 10.152 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -4.137 8.933 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -5.823 8.823 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -4.951 7.527 8.728 1.00 0.00 H new ATOM 1891 N ASP A 124 -10.205 10.170 3.829 1.00 0.00 N ATOM 1892 CA ASP A 124 -11.149 11.072 4.478 1.00 0.00 C ATOM 1893 C ASP A 124 -10.925 12.512 4.026 1.00 0.00 C ATOM 1894 O ASP A 124 -11.103 13.451 4.800 1.00 0.00 O ATOM 1895 CB ASP A 124 -11.017 10.976 5.999 1.00 0.00 C ATOM 1896 CG ASP A 124 -12.311 11.311 6.715 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -13.356 10.727 6.357 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -12.278 12.156 7.633 1.00 0.00 O ATOM 0 H ASP A 124 -10.634 9.492 3.199 1.00 0.00 H new ATOM 0 HA ASP A 124 -12.156 10.772 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.705 9.967 6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -10.233 11.654 6.336 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.530 12.676 2.767 1.00 0.00 N ATOM 1904 CA ALA A 125 -10.282 14.001 2.212 1.00 0.00 C ATOM 1905 C ALA A 125 -11.472 14.925 2.443 1.00 0.00 C ATOM 1906 O ALA A 125 -12.576 14.469 2.745 1.00 0.00 O ATOM 1907 CB ALA A 125 -9.971 13.900 0.726 1.00 0.00 C ATOM 0 H ALA A 125 -10.375 11.909 2.113 1.00 0.00 H new ATOM 0 HA ALA A 125 -9.420 14.427 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -9.788 14.896 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.085 13.282 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.817 13.449 0.207 1.00 0.00 H new