USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 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= -4.1 K(o=-5.8,f=-9.6!) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.7 K(o=-5.8,f=-14!) USER MOD Set 2.1: A 71 MET CE :methyl 136:sc= -0.282 (180deg=-0.403) USER MOD Set 2.2: A 73 CYS SG : rot 36:sc= -0.301 USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= -0.0592 USER MOD Set 3.2: A 49 GLN : amide:sc= 0 X(o=-0.34,f=-0.8) USER MOD Set 3.3: A 64 ASN : amide:sc= -0.281 K(o=-0.34,f=-4.3!) USER MOD Set 4.1: A 17 SER OG : rot 180:sc=-0.00344 USER MOD Set 4.2: A 39 HIS :FLIP no HD1:sc= -0.486 F(o=-1,f=-0.49) USER MOD Single : A 16 TYR OH : rot -23:sc= -0.607 USER MOD Single : A 18 LYS NZ :NH3+ -115:sc= 0.0531 (180deg=-0.889) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 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 25 LYS NZ :NH3+ -104:sc= 0.0678 (180deg=-0.607) USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 1.14 (180deg=0.62) USER MOD Single : A 28 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.0705 (180deg=-0.428) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -133:sc= -0.0426 (180deg=-0.973) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.031) USER MOD Single : A 47 LYS NZ :NH3+ -127:sc= -1.69 (180deg=-3.42!) USER MOD Single : A 48 THR OG1 : rot 120:sc= -0.966 USER MOD Single : A 60 ASN : amide:sc= -2.05! C(o=-2.1!,f=-6!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 74 THR OG1 : rot -170:sc= -0.895 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.569 K(o=-0.57,f=-3.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00831 USER MOD Single : A 98 MET CE :methyl 161:sc= -0.0389 (180deg=-0.36) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 176:sc= 0 (180deg=-0.0103) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 141:sc= -1.37 USER MOD Single : A 116 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-4.9!) 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+ -116:sc= -0.167 (180deg=-0.926) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 -0.313 7.034 -11.788 1.00 0.00 N ATOM 97 CA ALA A 14 -0.218 7.377 -10.374 1.00 0.00 C ATOM 98 C ALA A 14 0.488 8.714 -10.180 1.00 0.00 C ATOM 99 O ALA A 14 1.445 9.031 -10.888 1.00 0.00 O ATOM 100 CB ALA A 14 0.508 6.278 -9.612 1.00 0.00 C ATOM 0 HA ALA A 14 -1.230 7.470 -9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.572 6.547 -8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.040 5.341 -9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.513 6.157 -10.017 1.00 0.00 H new ATOM 106 N PHE A 15 0.011 9.496 -9.218 1.00 0.00 N ATOM 107 CA PHE A 15 0.596 10.801 -8.932 1.00 0.00 C ATOM 108 C PHE A 15 1.839 10.660 -8.057 1.00 0.00 C ATOM 109 O PHE A 15 2.848 11.328 -8.282 1.00 0.00 O ATOM 110 CB PHE A 15 -0.428 11.703 -8.240 1.00 0.00 C ATOM 111 CG PHE A 15 -1.079 11.065 -7.046 1.00 0.00 C ATOM 112 CD1 PHE A 15 -2.228 10.305 -7.190 1.00 0.00 C ATOM 113 CD2 PHE A 15 -0.540 11.225 -5.780 1.00 0.00 C ATOM 114 CE1 PHE A 15 -2.829 9.718 -6.093 1.00 0.00 C ATOM 115 CE2 PHE A 15 -1.137 10.640 -4.678 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.282 9.885 -4.835 1.00 0.00 C ATOM 0 H PHE A 15 -0.780 9.249 -8.623 1.00 0.00 H new ATOM 0 HA PHE A 15 0.888 11.255 -9.879 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.064 12.624 -7.927 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.199 11.982 -8.958 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.659 10.170 -8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.357 11.813 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.726 9.129 -6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.708 10.774 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.749 9.426 -3.976 1.00 0.00 H new ATOM 126 N TYR A 16 1.756 9.786 -7.060 1.00 0.00 N ATOM 127 CA TYR A 16 2.872 9.559 -6.149 1.00 0.00 C ATOM 128 C TYR A 16 3.508 8.195 -6.397 1.00 0.00 C ATOM 129 O TYR A 16 2.927 7.158 -6.075 1.00 0.00 O ATOM 130 CB TYR A 16 2.400 9.658 -4.697 1.00 0.00 C ATOM 131 CG TYR A 16 3.494 9.399 -3.686 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.398 10.396 -3.340 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.624 8.157 -3.076 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.399 10.164 -2.417 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.622 7.916 -2.152 1.00 0.00 C ATOM 136 CZ TYR A 16 5.507 8.923 -1.826 1.00 0.00 C ATOM 137 OH TYR A 16 6.503 8.688 -0.905 1.00 0.00 O ATOM 0 H TYR A 16 0.928 9.224 -6.862 1.00 0.00 H new ATOM 0 HA TYR A 16 3.622 10.328 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.986 10.652 -4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.592 8.944 -4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.316 11.369 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.933 7.367 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.093 10.950 -2.160 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.709 6.945 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 16 7.239 9.318 -1.051 1.00 0.00 H new ATOM 147 N SER A 17 4.707 8.204 -6.971 1.00 0.00 N ATOM 148 CA SER A 17 5.422 6.968 -7.266 1.00 0.00 C ATOM 149 C SER A 17 6.858 7.036 -6.753 1.00 0.00 C ATOM 150 O SER A 17 7.684 7.780 -7.281 1.00 0.00 O ATOM 151 CB SER A 17 5.419 6.699 -8.772 1.00 0.00 C ATOM 152 OG SER A 17 4.102 6.729 -9.292 1.00 0.00 O ATOM 0 H SER A 17 5.203 9.053 -7.241 1.00 0.00 H new ATOM 0 HA SER A 17 4.911 6.151 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.031 7.445 -9.279 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.870 5.727 -8.972 1.00 0.00 H new ATOM 0 HG SER A 17 4.127 6.556 -10.256 1.00 0.00 H new ATOM 158 N LYS A 18 7.148 6.252 -5.719 1.00 0.00 N ATOM 159 CA LYS A 18 8.482 6.220 -5.134 1.00 0.00 C ATOM 160 C LYS A 18 8.831 4.817 -4.650 1.00 0.00 C ATOM 161 O LYS A 18 7.987 4.113 -4.094 1.00 0.00 O ATOM 162 CB LYS A 18 8.575 7.210 -3.970 1.00 0.00 C ATOM 163 CG LYS A 18 9.974 7.343 -3.394 1.00 0.00 C ATOM 164 CD LYS A 18 10.880 8.148 -4.310 1.00 0.00 C ATOM 165 CE LYS A 18 10.557 9.633 -4.249 1.00 0.00 C ATOM 166 NZ LYS A 18 11.299 10.318 -3.155 1.00 0.00 N ATOM 0 H LYS A 18 6.476 5.630 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 18 9.196 6.507 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.236 8.189 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.894 6.893 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.922 7.824 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.400 6.352 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.920 7.989 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.771 7.793 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.806 10.098 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.485 9.766 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.625 10.668 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.956 9.647 -2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.836 11.118 -3.547 1.00 0.00 H new ATOM 180 N LYS A 19 10.079 4.415 -4.863 1.00 0.00 N ATOM 181 CA LYS A 19 10.541 3.096 -4.447 1.00 0.00 C ATOM 182 C LYS A 19 10.653 3.013 -2.928 1.00 0.00 C ATOM 183 O LYS A 19 11.100 3.959 -2.277 1.00 0.00 O ATOM 184 CB LYS A 19 11.896 2.782 -5.087 1.00 0.00 C ATOM 185 CG LYS A 19 13.014 3.701 -4.626 1.00 0.00 C ATOM 186 CD LYS A 19 14.379 3.066 -4.835 1.00 0.00 C ATOM 187 CE LYS A 19 14.861 3.242 -6.267 1.00 0.00 C ATOM 188 NZ LYS A 19 16.240 2.712 -6.457 1.00 0.00 N ATOM 0 H LYS A 19 10.790 4.985 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 19 9.809 2.360 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.167 1.751 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.802 2.853 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.962 4.642 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.880 3.938 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.099 3.514 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.328 2.004 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.178 2.730 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.839 4.299 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.532 2.851 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.896 3.218 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.256 1.697 -6.230 1.00 0.00 H new ATOM 202 N CYS A 20 10.247 1.878 -2.370 1.00 0.00 N ATOM 203 CA CYS A 20 10.303 1.672 -0.927 1.00 0.00 C ATOM 204 C CYS A 20 10.107 0.200 -0.580 1.00 0.00 C ATOM 205 O CYS A 20 9.687 -0.596 -1.420 1.00 0.00 O ATOM 206 CB CYS A 20 9.239 2.520 -0.229 1.00 0.00 C ATOM 207 SG CYS A 20 7.544 2.132 -0.724 1.00 0.00 S ATOM 0 H CYS A 20 9.875 1.086 -2.895 1.00 0.00 H new ATOM 0 HA CYS A 20 11.289 1.980 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.331 2.385 0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.435 3.572 -0.436 1.00 0.00 H new ATOM 0 HG CYS A 20 6.717 2.899 -0.078 1.00 0.00 H new ATOM 213 N LYS A 21 10.414 -0.155 0.662 1.00 0.00 N ATOM 214 CA LYS A 21 10.272 -1.531 1.122 1.00 0.00 C ATOM 215 C LYS A 21 8.964 -1.719 1.883 1.00 0.00 C ATOM 216 O LYS A 21 8.286 -0.747 2.222 1.00 0.00 O ATOM 217 CB LYS A 21 11.454 -1.917 2.016 1.00 0.00 C ATOM 218 CG LYS A 21 12.803 -1.773 1.334 1.00 0.00 C ATOM 219 CD LYS A 21 13.932 -1.678 2.347 1.00 0.00 C ATOM 220 CE LYS A 21 15.257 -2.126 1.749 1.00 0.00 C ATOM 221 NZ LYS A 21 16.289 -2.355 2.798 1.00 0.00 N ATOM 0 H LYS A 21 10.763 0.492 1.369 1.00 0.00 H new ATOM 0 HA LYS A 21 10.259 -2.180 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.440 -1.295 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.330 -2.949 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.973 -2.626 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.801 -0.883 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.020 -0.651 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.696 -2.294 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.107 -3.044 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.613 -1.371 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.177 -2.659 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.451 -1.473 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.961 -3.093 3.453 1.00 0.00 H new ATOM 235 N LEU A 22 8.614 -2.972 2.151 1.00 0.00 N ATOM 236 CA LEU A 22 7.387 -3.287 2.874 1.00 0.00 C ATOM 237 C LEU A 22 7.631 -4.376 3.913 1.00 0.00 C ATOM 238 O LEU A 22 8.226 -5.412 3.614 1.00 0.00 O ATOM 239 CB LEU A 22 6.296 -3.732 1.898 1.00 0.00 C ATOM 240 CG LEU A 22 5.395 -2.627 1.348 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.355 -3.207 0.402 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.722 -1.872 2.485 1.00 0.00 C ATOM 0 H LEU A 22 9.163 -3.787 1.878 1.00 0.00 H new ATOM 0 HA LEU A 22 7.058 -2.385 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.773 -4.236 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.668 -4.470 2.398 1.00 0.00 H new ATOM 0 HG LEU A 22 6.014 -1.925 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.723 -2.405 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.856 -3.701 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.740 -3.931 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.084 -1.089 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.117 -2.563 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.482 -1.423 3.124 1.00 0.00 H new ATOM 254 N PHE A 23 7.166 -4.136 5.135 1.00 0.00 N ATOM 255 CA PHE A 23 7.333 -5.097 6.219 1.00 0.00 C ATOM 256 C PHE A 23 6.018 -5.310 6.963 1.00 0.00 C ATOM 257 O PHE A 23 5.226 -4.382 7.126 1.00 0.00 O ATOM 258 CB PHE A 23 8.411 -4.618 7.192 1.00 0.00 C ATOM 259 CG PHE A 23 9.712 -4.275 6.524 1.00 0.00 C ATOM 260 CD1 PHE A 23 9.945 -2.995 6.048 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.702 -5.232 6.373 1.00 0.00 C ATOM 262 CE1 PHE A 23 11.141 -2.677 5.433 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.900 -4.920 5.759 1.00 0.00 C ATOM 264 CZ PHE A 23 12.120 -3.640 5.289 1.00 0.00 C ATOM 0 H PHE A 23 6.671 -3.284 5.399 1.00 0.00 H new ATOM 0 HA PHE A 23 7.643 -6.047 5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.044 -3.742 7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.588 -5.394 7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.183 -2.237 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.536 -6.234 6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.310 -1.676 5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.663 -5.676 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.056 -3.393 4.810 1.00 0.00 H new ATOM 274 N TYR A 24 5.793 -6.540 7.413 1.00 0.00 N ATOM 275 CA TYR A 24 4.573 -6.877 8.137 1.00 0.00 C ATOM 276 C TYR A 24 4.898 -7.541 9.472 1.00 0.00 C ATOM 277 O TYR A 24 5.898 -8.249 9.600 1.00 0.00 O ATOM 278 CB TYR A 24 3.694 -7.803 7.295 1.00 0.00 C ATOM 279 CG TYR A 24 4.346 -9.129 6.973 1.00 0.00 C ATOM 280 CD1 TYR A 24 4.290 -10.189 7.870 1.00 0.00 C ATOM 281 CD2 TYR A 24 5.018 -9.322 5.773 1.00 0.00 C ATOM 282 CE1 TYR A 24 4.884 -11.402 7.581 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.614 -10.532 5.474 1.00 0.00 C ATOM 284 CZ TYR A 24 5.545 -11.569 6.381 1.00 0.00 C ATOM 285 OH TYR A 24 6.138 -12.775 6.088 1.00 0.00 O ATOM 0 H TYR A 24 6.439 -7.319 7.289 1.00 0.00 H new ATOM 0 HA TYR A 24 4.030 -5.952 8.334 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.760 -7.986 7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.437 -7.298 6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.773 -10.062 8.810 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.076 -8.512 5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.832 -12.215 8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.131 -10.665 4.535 1.00 0.00 H new ATOM 0 HH TYR A 24 6.560 -12.726 5.205 1.00 0.00 H new ATOM 295 N LYS A 25 4.046 -7.308 10.464 1.00 0.00 N ATOM 296 CA LYS A 25 4.239 -7.884 11.790 1.00 0.00 C ATOM 297 C LYS A 25 3.623 -9.277 11.873 1.00 0.00 C ATOM 298 O LYS A 25 2.407 -9.437 11.769 1.00 0.00 O ATOM 299 CB LYS A 25 3.622 -6.977 12.857 1.00 0.00 C ATOM 300 CG LYS A 25 4.103 -7.280 14.265 1.00 0.00 C ATOM 301 CD LYS A 25 5.349 -6.482 14.612 1.00 0.00 C ATOM 302 CE LYS A 25 5.490 -6.294 16.115 1.00 0.00 C ATOM 303 NZ LYS A 25 6.917 -6.193 16.530 1.00 0.00 N ATOM 0 H LYS A 25 3.214 -6.724 10.375 1.00 0.00 H new ATOM 0 HA LYS A 25 5.311 -7.969 11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.854 -5.939 12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.537 -7.077 12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.312 -7.050 14.978 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.315 -8.345 14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.230 -6.994 14.224 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.306 -5.508 14.125 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.959 -5.392 16.420 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.020 -7.131 16.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.215 -7.088 16.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.508 -6.001 15.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.025 -5.419 17.216 1.00 0.00 H new ATOM 317 N LYS A 26 4.470 -10.283 12.063 1.00 0.00 N ATOM 318 CA LYS A 26 4.009 -11.663 12.163 1.00 0.00 C ATOM 319 C LYS A 26 4.740 -12.400 13.281 1.00 0.00 C ATOM 320 O LYS A 26 5.970 -12.445 13.308 1.00 0.00 O ATOM 321 CB LYS A 26 4.221 -12.391 10.834 1.00 0.00 C ATOM 322 CG LYS A 26 3.846 -13.862 10.880 1.00 0.00 C ATOM 323 CD LYS A 26 4.346 -14.603 9.651 1.00 0.00 C ATOM 324 CE LYS A 26 4.261 -16.110 9.836 1.00 0.00 C ATOM 325 NZ LYS A 26 5.273 -16.608 10.809 1.00 0.00 N ATOM 0 H LYS A 26 5.480 -10.169 12.151 1.00 0.00 H new ATOM 0 HA LYS A 26 2.944 -11.649 12.396 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.631 -11.898 10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.267 -12.300 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.266 -14.318 11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.763 -13.960 10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.757 -14.308 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.378 -14.318 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.263 -16.378 10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.408 -16.603 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.559 -17.573 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.105 -15.984 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.862 -16.614 11.764 1.00 0.00 H new ATOM 339 N ASP A 27 3.975 -12.979 14.200 1.00 0.00 N ATOM 340 CA ASP A 27 4.550 -13.717 15.319 1.00 0.00 C ATOM 341 C ASP A 27 5.539 -12.849 16.092 1.00 0.00 C ATOM 342 O ASP A 27 6.588 -13.322 16.525 1.00 0.00 O ATOM 343 CB ASP A 27 5.247 -14.983 14.818 1.00 0.00 C ATOM 344 CG ASP A 27 4.286 -15.948 14.152 1.00 0.00 C ATOM 345 OD1 ASP A 27 3.074 -15.870 14.440 1.00 0.00 O ATOM 346 OD2 ASP A 27 4.747 -16.781 13.344 1.00 0.00 O ATOM 0 H ASP A 27 2.955 -12.952 14.192 1.00 0.00 H new ATOM 0 HA ASP A 27 3.739 -13.999 15.991 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.029 -14.708 14.111 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.735 -15.481 15.656 1.00 0.00 H new ATOM 351 N ASN A 28 5.195 -11.576 16.260 1.00 0.00 N ATOM 352 CA ASN A 28 6.053 -10.642 16.980 1.00 0.00 C ATOM 353 C ASN A 28 7.389 -10.469 16.264 1.00 0.00 C ATOM 354 O ASN A 28 8.447 -10.492 16.892 1.00 0.00 O ATOM 355 CB ASN A 28 6.287 -11.130 18.411 1.00 0.00 C ATOM 356 CG ASN A 28 7.153 -10.177 19.212 1.00 0.00 C ATOM 357 OD1 ASN A 28 8.345 -10.417 19.404 1.00 0.00 O ATOM 358 ND2 ASN A 28 6.555 -9.090 19.685 1.00 0.00 N ATOM 0 H ASN A 28 4.329 -11.168 15.908 1.00 0.00 H new ATOM 0 HA ASN A 28 5.550 -9.676 17.012 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.327 -11.252 18.912 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.760 -12.112 18.385 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.086 -8.413 20.232 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.564 -8.932 19.501 1.00 0.00 H new ATOM 365 N GLU A 29 7.331 -10.295 14.947 1.00 0.00 N ATOM 366 CA GLU A 29 8.537 -10.118 14.147 1.00 0.00 C ATOM 367 C GLU A 29 8.229 -9.362 12.858 1.00 0.00 C ATOM 368 O GLU A 29 7.098 -9.378 12.371 1.00 0.00 O ATOM 369 CB GLU A 29 9.161 -11.476 13.818 1.00 0.00 C ATOM 370 CG GLU A 29 10.238 -11.408 12.749 1.00 0.00 C ATOM 371 CD GLU A 29 11.106 -12.651 12.714 1.00 0.00 C ATOM 372 OE1 GLU A 29 10.597 -13.718 12.309 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.292 -12.558 13.091 1.00 0.00 O ATOM 0 H GLU A 29 6.463 -10.273 14.412 1.00 0.00 H new ATOM 0 HA GLU A 29 9.247 -9.532 14.731 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.589 -11.899 14.727 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.376 -12.157 13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.769 -11.270 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.867 -10.536 12.927 1.00 0.00 H new ATOM 380 N PHE A 30 9.243 -8.700 12.310 1.00 0.00 N ATOM 381 CA PHE A 30 9.081 -7.937 11.079 1.00 0.00 C ATOM 382 C PHE A 30 9.712 -8.669 9.898 1.00 0.00 C ATOM 383 O PHE A 30 10.933 -8.802 9.816 1.00 0.00 O ATOM 384 CB PHE A 30 9.709 -6.549 11.228 1.00 0.00 C ATOM 385 CG PHE A 30 8.764 -5.519 11.777 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.577 -5.390 13.144 1.00 0.00 C ATOM 387 CD2 PHE A 30 8.062 -4.680 10.926 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.707 -4.443 13.651 1.00 0.00 C ATOM 389 CE2 PHE A 30 7.191 -3.732 11.428 1.00 0.00 C ATOM 390 CZ PHE A 30 7.014 -3.612 12.793 1.00 0.00 C ATOM 0 H PHE A 30 10.185 -8.677 12.700 1.00 0.00 H new ATOM 0 HA PHE A 30 8.014 -7.827 10.887 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.577 -6.620 11.884 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.071 -6.216 10.255 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.117 -6.036 13.820 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.197 -4.768 9.858 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.569 -4.353 14.718 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.649 -3.085 10.754 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.336 -2.870 13.188 1.00 0.00 H new ATOM 400 N LYS A 31 8.870 -9.141 8.985 1.00 0.00 N ATOM 401 CA LYS A 31 9.343 -9.860 7.807 1.00 0.00 C ATOM 402 C LYS A 31 9.185 -9.009 6.551 1.00 0.00 C ATOM 403 O LYS A 31 8.090 -8.538 6.244 1.00 0.00 O ATOM 404 CB LYS A 31 8.577 -11.175 7.645 1.00 0.00 C ATOM 405 CG LYS A 31 8.821 -12.164 8.772 1.00 0.00 C ATOM 406 CD LYS A 31 10.225 -12.743 8.712 1.00 0.00 C ATOM 407 CE LYS A 31 10.340 -13.814 7.639 1.00 0.00 C ATOM 408 NZ LYS A 31 9.518 -15.014 7.962 1.00 0.00 N ATOM 0 H LYS A 31 7.857 -9.039 9.038 1.00 0.00 H new ATOM 0 HA LYS A 31 10.402 -10.078 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.510 -10.959 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.861 -11.637 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.672 -11.668 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.091 -12.971 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.940 -11.946 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.486 -13.168 9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.022 -13.403 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.384 -14.108 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.877 -15.834 7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.575 -15.209 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.528 -14.838 7.698 1.00 0.00 H new ATOM 422 N GLU A 32 10.284 -8.818 5.829 1.00 0.00 N ATOM 423 CA GLU A 32 10.265 -8.024 4.606 1.00 0.00 C ATOM 424 C GLU A 32 9.322 -8.637 3.574 1.00 0.00 C ATOM 425 O GLU A 32 9.625 -9.668 2.974 1.00 0.00 O ATOM 426 CB GLU A 32 11.675 -7.913 4.021 1.00 0.00 C ATOM 427 CG GLU A 32 11.756 -7.026 2.790 1.00 0.00 C ATOM 428 CD GLU A 32 13.181 -6.809 2.320 1.00 0.00 C ATOM 429 OE1 GLU A 32 14.003 -6.323 3.124 1.00 0.00 O ATOM 430 OE2 GLU A 32 13.474 -7.125 1.148 1.00 0.00 O ATOM 0 H GLU A 32 11.198 -9.202 6.069 1.00 0.00 H new ATOM 0 HA GLU A 32 9.904 -7.027 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.346 -7.521 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.032 -8.910 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.176 -7.476 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.299 -6.061 3.011 1.00 0.00 H new ATOM 437 N LYS A 33 8.176 -7.994 3.373 1.00 0.00 N ATOM 438 CA LYS A 33 7.188 -8.473 2.415 1.00 0.00 C ATOM 439 C LYS A 33 7.819 -8.685 1.042 1.00 0.00 C ATOM 440 O LYS A 33 7.622 -9.723 0.412 1.00 0.00 O ATOM 441 CB LYS A 33 6.029 -7.480 2.307 1.00 0.00 C ATOM 442 CG LYS A 33 5.042 -7.814 1.202 1.00 0.00 C ATOM 443 CD LYS A 33 4.015 -8.835 1.661 1.00 0.00 C ATOM 444 CE LYS A 33 2.866 -8.954 0.671 1.00 0.00 C ATOM 445 NZ LYS A 33 2.180 -10.272 0.773 1.00 0.00 N ATOM 0 H LYS A 33 7.909 -7.139 3.862 1.00 0.00 H new ATOM 0 HA LYS A 33 6.807 -9.430 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.499 -7.449 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.432 -6.482 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.534 -6.905 0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.580 -8.202 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.495 -9.806 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.627 -8.548 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.147 -8.155 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.244 -8.819 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.404 -10.314 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.860 -11.034 0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.797 -10.390 1.732 1.00 0.00 H new ATOM 459 N GLY A 34 8.579 -7.695 0.586 1.00 0.00 N ATOM 460 CA GLY A 34 9.229 -7.794 -0.708 1.00 0.00 C ATOM 461 C GLY A 34 9.595 -6.438 -1.278 1.00 0.00 C ATOM 462 O GLY A 34 8.795 -5.503 -1.235 1.00 0.00 O ATOM 0 H GLY A 34 8.757 -6.826 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.130 -8.400 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.569 -8.311 -1.404 1.00 0.00 H new ATOM 466 N ILE A 35 10.807 -6.330 -1.811 1.00 0.00 N ATOM 467 CA ILE A 35 11.277 -5.078 -2.391 1.00 0.00 C ATOM 468 C ILE A 35 10.457 -4.699 -3.620 1.00 0.00 C ATOM 469 O ILE A 35 10.041 -5.562 -4.392 1.00 0.00 O ATOM 470 CB ILE A 35 12.763 -5.163 -2.787 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.608 -5.593 -1.586 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.244 -3.826 -3.329 1.00 0.00 C ATOM 473 CD1 ILE A 35 13.809 -4.496 -0.564 1.00 0.00 C ATOM 0 H ILE A 35 11.481 -7.094 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 35 11.156 -4.312 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 35 12.873 -5.911 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.130 -6.445 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 35 14.582 -5.931 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.296 -3.902 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.657 -3.557 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.124 -3.059 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.417 -4.872 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.314 -3.651 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.841 -4.173 -0.182 1.00 0.00 H new ATOM 485 N GLY A 36 10.228 -3.401 -3.796 1.00 0.00 N ATOM 486 CA GLY A 36 9.460 -2.930 -4.933 1.00 0.00 C ATOM 487 C GLY A 36 9.206 -1.436 -4.883 1.00 0.00 C ATOM 488 O GLY A 36 9.903 -0.703 -4.181 1.00 0.00 O ATOM 0 H GLY A 36 10.561 -2.667 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.991 -3.174 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.506 -3.457 -4.966 1.00 0.00 H new ATOM 492 N THR A 37 8.205 -0.982 -5.631 1.00 0.00 N ATOM 493 CA THR A 37 7.862 0.433 -5.671 1.00 0.00 C ATOM 494 C THR A 37 6.373 0.646 -5.420 1.00 0.00 C ATOM 495 O THR A 37 5.542 -0.164 -5.832 1.00 0.00 O ATOM 496 CB THR A 37 8.237 1.064 -7.025 1.00 0.00 C ATOM 497 OG1 THR A 37 9.555 0.655 -7.407 1.00 0.00 O ATOM 498 CG2 THR A 37 8.174 2.582 -6.951 1.00 0.00 C ATOM 0 H THR A 37 7.618 -1.575 -6.217 1.00 0.00 H new ATOM 0 HA THR A 37 8.434 0.919 -4.881 1.00 0.00 H new ATOM 0 HB THR A 37 7.520 0.722 -7.771 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.786 1.059 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.443 3.005 -7.919 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.163 2.892 -6.688 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.871 2.939 -6.193 1.00 0.00 H new ATOM 506 N LEU A 38 6.043 1.740 -4.742 1.00 0.00 N ATOM 507 CA LEU A 38 4.653 2.060 -4.437 1.00 0.00 C ATOM 508 C LEU A 38 4.112 3.114 -5.397 1.00 0.00 C ATOM 509 O LEU A 38 4.797 4.085 -5.719 1.00 0.00 O ATOM 510 CB LEU A 38 4.528 2.556 -2.995 1.00 0.00 C ATOM 511 CG LEU A 38 3.200 3.217 -2.625 1.00 0.00 C ATOM 512 CD1 LEU A 38 3.057 4.558 -3.330 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.034 2.304 -2.972 1.00 0.00 C ATOM 0 H LEU A 38 6.719 2.420 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 38 4.063 1.151 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.689 1.711 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.331 3.269 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 38 3.191 3.391 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.106 5.014 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.874 5.215 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.088 4.407 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.097 2.791 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.040 2.097 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.128 1.368 -2.421 1.00 0.00 H new ATOM 525 N HIS A 39 2.879 2.916 -5.852 1.00 0.00 N ATOM 526 CA HIS A 39 2.245 3.852 -6.774 1.00 0.00 C ATOM 527 C HIS A 39 0.814 4.156 -6.341 1.00 0.00 C ATOM 528 O HIS A 39 -0.017 3.254 -6.230 1.00 0.00 O ATOM 529 CB HIS A 39 2.251 3.284 -8.193 1.00 0.00 C ATOM 530 CG HIS A 39 3.622 3.153 -8.781 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.721 2.506 -8.327 1.00 0.00 N flip ATOM 532 CD2 HIS A 39 3.987 3.732 -9.978 1.00 0.00 C flip ATOM 533 CE1 HIS A 39 5.719 2.702 -9.250 1.00 0.00 C flip ATOM 534 NE2 HIS A 39 5.250 3.445 -10.236 1.00 0.00 N flip ATOM 0 H HIS A 39 2.299 2.116 -5.598 1.00 0.00 H new ATOM 0 HA HIS A 39 2.815 4.781 -6.760 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.773 2.304 -8.185 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.649 3.927 -8.835 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.341 4.327 -10.606 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.724 2.312 -9.181 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.774 3.746 -11.057 1.00 0.00 H new ATOM 542 N LEU A 40 0.533 5.432 -6.097 1.00 0.00 N ATOM 543 CA LEU A 40 -0.797 5.855 -5.675 1.00 0.00 C ATOM 544 C LEU A 40 -1.613 6.353 -6.864 1.00 0.00 C ATOM 545 O LEU A 40 -1.250 7.336 -7.512 1.00 0.00 O ATOM 546 CB LEU A 40 -0.693 6.956 -4.618 1.00 0.00 C ATOM 547 CG LEU A 40 -0.412 6.489 -3.189 1.00 0.00 C ATOM 548 CD1 LEU A 40 0.030 7.658 -2.322 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.642 5.818 -2.596 1.00 0.00 C ATOM 0 H LEU A 40 1.209 6.191 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.305 4.992 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.097 7.645 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.625 7.521 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 40 0.397 5.759 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.225 7.306 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.939 8.095 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.757 8.412 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.424 5.492 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.471 6.526 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.914 4.955 -3.203 1.00 0.00 H new ATOM 561 N LYS A 41 -2.717 5.670 -7.145 1.00 0.00 N ATOM 562 CA LYS A 41 -3.587 6.044 -8.254 1.00 0.00 C ATOM 563 C LYS A 41 -5.051 5.793 -7.906 1.00 0.00 C ATOM 564 O LYS A 41 -5.398 4.811 -7.248 1.00 0.00 O ATOM 565 CB LYS A 41 -3.210 5.259 -9.513 1.00 0.00 C ATOM 566 CG LYS A 41 -3.232 3.753 -9.320 1.00 0.00 C ATOM 567 CD LYS A 41 -2.737 3.025 -10.558 1.00 0.00 C ATOM 568 CE LYS A 41 -2.069 1.706 -10.200 1.00 0.00 C ATOM 569 NZ LYS A 41 -0.608 1.871 -9.963 1.00 0.00 N ATOM 0 H LYS A 41 -3.031 4.854 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.454 7.109 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.898 5.524 -10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.213 5.561 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.609 3.486 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.247 3.430 -9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.574 2.839 -11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.030 3.658 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.537 1.292 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.228 0.988 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.087 1.131 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.305 2.806 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.410 1.791 -8.945 1.00 0.00 H new ATOM 583 N PRO A 42 -5.931 6.698 -8.357 1.00 0.00 N ATOM 584 CA PRO A 42 -7.372 6.595 -8.107 1.00 0.00 C ATOM 585 C PRO A 42 -8.013 5.444 -8.875 1.00 0.00 C ATOM 586 O PRO A 42 -7.586 5.107 -9.980 1.00 0.00 O ATOM 587 CB PRO A 42 -7.916 7.937 -8.603 1.00 0.00 C ATOM 588 CG PRO A 42 -6.926 8.395 -9.618 1.00 0.00 C ATOM 589 CD PRO A 42 -5.589 7.892 -9.148 1.00 0.00 C ATOM 0 HA PRO A 42 -7.590 6.393 -7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.908 7.825 -9.040 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.007 8.654 -7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.167 7.999 -10.605 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.927 9.482 -9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.936 7.646 -9.985 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.069 8.637 -8.546 1.00 0.00 H new ATOM 597 N THR A 43 -9.041 4.843 -8.283 1.00 0.00 N ATOM 598 CA THR A 43 -9.740 3.729 -8.912 1.00 0.00 C ATOM 599 C THR A 43 -11.158 4.123 -9.308 1.00 0.00 C ATOM 600 O THR A 43 -11.712 5.090 -8.786 1.00 0.00 O ATOM 601 CB THR A 43 -9.801 2.505 -7.978 1.00 0.00 C ATOM 602 OG1 THR A 43 -10.368 1.388 -8.671 1.00 0.00 O ATOM 603 CG2 THR A 43 -10.627 2.812 -6.738 1.00 0.00 C ATOM 0 H THR A 43 -9.408 5.109 -7.369 1.00 0.00 H new ATOM 0 HA THR A 43 -9.176 3.466 -9.807 1.00 0.00 H new ATOM 0 HB THR A 43 -8.785 2.261 -7.667 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.402 0.614 -8.071 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.656 1.933 -6.093 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.176 3.644 -6.197 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.642 3.079 -7.034 1.00 0.00 H new ATOM 611 N ALA A 44 -11.741 3.368 -10.233 1.00 0.00 N ATOM 612 CA ALA A 44 -13.096 3.637 -10.697 1.00 0.00 C ATOM 613 C ALA A 44 -14.017 3.980 -9.531 1.00 0.00 C ATOM 614 O ALA A 44 -15.041 4.637 -9.710 1.00 0.00 O ATOM 615 CB ALA A 44 -13.638 2.442 -11.467 1.00 0.00 C ATOM 0 H ALA A 44 -11.295 2.565 -10.676 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.061 4.498 -11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.651 2.657 -11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.000 2.244 -12.328 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.652 1.567 -10.818 1.00 0.00 H new ATOM 621 N ASN A 45 -13.646 3.529 -8.337 1.00 0.00 N ATOM 622 CA ASN A 45 -14.440 3.787 -7.142 1.00 0.00 C ATOM 623 C ASN A 45 -14.139 5.172 -6.577 1.00 0.00 C ATOM 624 O ASN A 45 -14.440 5.459 -5.418 1.00 0.00 O ATOM 625 CB ASN A 45 -14.165 2.720 -6.081 1.00 0.00 C ATOM 626 CG ASN A 45 -14.943 1.442 -6.330 1.00 0.00 C ATOM 627 OD1 ASN A 45 -14.387 0.442 -6.783 1.00 0.00 O ATOM 628 ND2 ASN A 45 -16.237 1.471 -6.034 1.00 0.00 N ATOM 0 H ASN A 45 -12.800 2.983 -8.172 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.493 3.749 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -13.099 2.495 -6.064 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -14.424 3.114 -5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.812 0.642 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -16.656 2.323 -5.660 1.00 0.00 H new ATOM 635 N GLN A 46 -13.543 6.026 -7.403 1.00 0.00 N ATOM 636 CA GLN A 46 -13.201 7.380 -6.986 1.00 0.00 C ATOM 637 C GLN A 46 -12.457 7.367 -5.654 1.00 0.00 C ATOM 638 O GLN A 46 -12.579 8.295 -4.854 1.00 0.00 O ATOM 639 CB GLN A 46 -14.464 8.235 -6.870 1.00 0.00 C ATOM 640 CG GLN A 46 -14.998 8.342 -5.451 1.00 0.00 C ATOM 641 CD GLN A 46 -16.513 8.396 -5.400 1.00 0.00 C ATOM 642 OE1 GLN A 46 -17.094 9.326 -4.840 1.00 0.00 O ATOM 643 NE2 GLN A 46 -17.161 7.397 -5.986 1.00 0.00 N ATOM 0 H GLN A 46 -13.287 5.804 -8.365 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.547 7.812 -7.743 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.251 9.236 -7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -15.239 7.813 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.649 7.488 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.590 9.236 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.639 6.646 -6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -18.181 7.380 -5.984 1.00 0.00 H new ATOM 652 N LYS A 47 -11.687 6.310 -5.423 1.00 0.00 N ATOM 653 CA LYS A 47 -10.922 6.176 -4.189 1.00 0.00 C ATOM 654 C LYS A 47 -9.446 5.932 -4.487 1.00 0.00 C ATOM 655 O LYS A 47 -9.078 5.579 -5.608 1.00 0.00 O ATOM 656 CB LYS A 47 -11.478 5.029 -3.342 1.00 0.00 C ATOM 657 CG LYS A 47 -12.817 5.343 -2.698 1.00 0.00 C ATOM 658 CD LYS A 47 -13.419 4.114 -2.035 1.00 0.00 C ATOM 659 CE LYS A 47 -12.813 3.870 -0.661 1.00 0.00 C ATOM 660 NZ LYS A 47 -11.510 3.155 -0.749 1.00 0.00 N ATOM 0 H LYS A 47 -11.576 5.533 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.013 7.109 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.584 4.144 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.758 4.782 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.689 6.132 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.505 5.724 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.497 4.241 -1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.255 3.241 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.670 4.823 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.507 3.287 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.534 2.313 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.339 2.864 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.745 3.787 -0.437 1.00 0.00 H new ATOM 674 N THR A 48 -8.603 6.121 -3.476 1.00 0.00 N ATOM 675 CA THR A 48 -7.168 5.922 -3.631 1.00 0.00 C ATOM 676 C THR A 48 -6.804 4.445 -3.530 1.00 0.00 C ATOM 677 O THR A 48 -6.937 3.835 -2.469 1.00 0.00 O ATOM 678 CB THR A 48 -6.374 6.708 -2.570 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.928 8.019 -2.415 1.00 0.00 O ATOM 680 CG2 THR A 48 -4.908 6.814 -2.960 1.00 0.00 C ATOM 0 H THR A 48 -8.890 6.412 -2.541 1.00 0.00 H new ATOM 0 HA THR A 48 -6.903 6.292 -4.621 1.00 0.00 H new ATOM 0 HB THR A 48 -6.444 6.171 -1.624 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.228 8.140 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.368 7.373 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.482 5.815 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.822 7.330 -3.916 1.00 0.00 H new ATOM 688 N GLN A 49 -6.345 3.876 -4.640 1.00 0.00 N ATOM 689 CA GLN A 49 -5.962 2.470 -4.676 1.00 0.00 C ATOM 690 C GLN A 49 -4.447 2.316 -4.595 1.00 0.00 C ATOM 691 O GLN A 49 -3.714 2.835 -5.438 1.00 0.00 O ATOM 692 CB GLN A 49 -6.487 1.809 -5.951 1.00 0.00 C ATOM 693 CG GLN A 49 -6.343 0.295 -5.956 1.00 0.00 C ATOM 694 CD GLN A 49 -6.513 -0.303 -7.338 1.00 0.00 C ATOM 695 OE1 GLN A 49 -7.558 -0.149 -7.970 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.482 -0.991 -7.816 1.00 0.00 N ATOM 0 H GLN A 49 -6.229 4.367 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.405 1.977 -3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.539 2.066 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.954 2.219 -6.809 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.361 0.026 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.083 -0.139 -5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.635 -1.094 -7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.538 -1.417 -8.741 1.00 0.00 H new ATOM 705 N LEU A 50 -3.983 1.600 -3.577 1.00 0.00 N ATOM 706 CA LEU A 50 -2.554 1.377 -3.386 1.00 0.00 C ATOM 707 C LEU A 50 -2.078 0.174 -4.193 1.00 0.00 C ATOM 708 O LEU A 50 -2.721 -0.877 -4.200 1.00 0.00 O ATOM 709 CB LEU A 50 -2.245 1.166 -1.903 1.00 0.00 C ATOM 710 CG LEU A 50 -0.778 1.310 -1.496 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.447 2.764 -1.198 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.470 0.433 -0.291 1.00 0.00 C ATOM 0 H LEU A 50 -4.576 1.164 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.023 2.261 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.833 1.879 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.584 0.169 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.156 0.980 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.601 2.847 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.628 3.368 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.077 3.121 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.578 0.548 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.100 0.731 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.667 -0.610 -0.540 1.00 0.00 H new ATOM 724 N LEU A 51 -0.947 0.334 -4.871 1.00 0.00 N ATOM 725 CA LEU A 51 -0.382 -0.741 -5.680 1.00 0.00 C ATOM 726 C LEU A 51 1.141 -0.748 -5.589 1.00 0.00 C ATOM 727 O LEU A 51 1.799 0.232 -5.937 1.00 0.00 O ATOM 728 CB LEU A 51 -0.815 -0.589 -7.139 1.00 0.00 C ATOM 729 CG LEU A 51 -0.769 -1.859 -7.989 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.861 -2.827 -7.563 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.903 -1.518 -9.466 1.00 0.00 C ATOM 0 H LEU A 51 -0.403 1.197 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.756 -1.689 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.834 -0.201 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.180 0.162 -7.609 1.00 0.00 H new ATOM 0 HG LEU A 51 0.196 -2.341 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.812 -3.725 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.720 -3.097 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.835 -2.354 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.868 -2.434 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.853 -1.012 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.084 -0.863 -9.764 1.00 0.00 H new ATOM 743 N VAL A 52 1.695 -1.862 -5.120 1.00 0.00 N ATOM 744 CA VAL A 52 3.140 -1.999 -4.985 1.00 0.00 C ATOM 745 C VAL A 52 3.679 -3.078 -5.918 1.00 0.00 C ATOM 746 O VAL A 52 3.354 -4.257 -5.774 1.00 0.00 O ATOM 747 CB VAL A 52 3.539 -2.341 -3.538 1.00 0.00 C ATOM 748 CG1 VAL A 52 5.036 -2.598 -3.443 1.00 0.00 C ATOM 749 CG2 VAL A 52 3.121 -1.226 -2.592 1.00 0.00 C ATOM 0 H VAL A 52 1.165 -2.683 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 52 3.576 -1.037 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 52 3.018 -3.252 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.299 -2.838 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.304 -3.433 -4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.579 -1.707 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.411 -1.485 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.612 -0.298 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.040 -1.095 -2.639 1.00 0.00 H new ATOM 759 N ARG A 53 4.504 -2.667 -6.875 1.00 0.00 N ATOM 760 CA ARG A 53 5.088 -3.598 -7.833 1.00 0.00 C ATOM 761 C ARG A 53 6.513 -3.968 -7.432 1.00 0.00 C ATOM 762 O ARG A 53 7.327 -3.099 -7.122 1.00 0.00 O ATOM 763 CB ARG A 53 5.083 -2.990 -9.236 1.00 0.00 C ATOM 764 CG ARG A 53 5.896 -3.783 -10.247 1.00 0.00 C ATOM 765 CD ARG A 53 6.137 -2.983 -11.518 1.00 0.00 C ATOM 766 NE ARG A 53 4.913 -2.806 -12.294 1.00 0.00 N ATOM 767 CZ ARG A 53 4.452 -3.707 -13.155 1.00 0.00 C ATOM 768 NH1 ARG A 53 5.110 -4.841 -13.349 1.00 0.00 N ATOM 769 NH2 ARG A 53 3.331 -3.473 -13.824 1.00 0.00 N ATOM 0 H ARG A 53 4.783 -1.695 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 53 4.483 -4.504 -7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.054 -2.917 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.475 -1.974 -9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.852 -4.065 -9.806 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.373 -4.708 -10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.547 -2.007 -11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.884 -3.490 -12.129 1.00 0.00 H new ATOM 0 HE ARG A 53 4.383 -1.944 -12.168 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.973 -5.024 -12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.754 -5.531 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.822 -2.601 -13.678 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.978 -4.165 -14.485 1.00 0.00 H new ATOM 783 N ALA A 54 6.807 -5.264 -7.441 1.00 0.00 N ATOM 784 CA ALA A 54 8.134 -5.749 -7.080 1.00 0.00 C ATOM 785 C ALA A 54 9.176 -5.308 -8.103 1.00 0.00 C ATOM 786 O ALA A 54 8.903 -5.266 -9.302 1.00 0.00 O ATOM 787 CB ALA A 54 8.125 -7.265 -6.952 1.00 0.00 C ATOM 0 H ALA A 54 6.144 -5.997 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 54 8.403 -5.316 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.122 -7.613 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.416 -7.561 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.831 -7.709 -7.903 1.00 0.00 H new ATOM 793 N ASP A 55 10.370 -4.981 -7.620 1.00 0.00 N ATOM 794 CA ASP A 55 11.453 -4.544 -8.492 1.00 0.00 C ATOM 795 C ASP A 55 12.377 -5.708 -8.837 1.00 0.00 C ATOM 796 O ASP A 55 12.536 -6.064 -10.005 1.00 0.00 O ATOM 797 CB ASP A 55 12.253 -3.423 -7.826 1.00 0.00 C ATOM 798 CG ASP A 55 13.181 -2.719 -8.795 1.00 0.00 C ATOM 799 OD1 ASP A 55 14.192 -3.330 -9.199 1.00 0.00 O ATOM 800 OD2 ASP A 55 12.896 -1.556 -9.150 1.00 0.00 O ATOM 0 H ASP A 55 10.612 -5.010 -6.629 1.00 0.00 H new ATOM 0 HA ASP A 55 11.012 -4.167 -9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.565 -2.697 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.837 -3.837 -7.004 1.00 0.00 H new ATOM 859 N ASN A 60 4.763 -8.152 -10.397 1.00 0.00 N ATOM 860 CA ASN A 60 3.760 -8.904 -9.653 1.00 0.00 C ATOM 861 C ASN A 60 3.045 -8.008 -8.646 1.00 0.00 C ATOM 862 O ASN A 60 3.396 -6.839 -8.482 1.00 0.00 O ATOM 863 CB ASN A 60 4.410 -10.085 -8.930 1.00 0.00 C ATOM 864 CG ASN A 60 5.112 -9.666 -7.652 1.00 0.00 C ATOM 865 OD1 ASN A 60 5.115 -8.489 -7.291 1.00 0.00 O ATOM 866 ND2 ASN A 60 5.710 -10.630 -6.962 1.00 0.00 N ATOM 0 HA ASN A 60 3.025 -9.282 -10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.648 -10.828 -8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.128 -10.564 -9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.198 -10.409 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.681 -11.592 -7.300 1.00 0.00 H new ATOM 873 N ILE A 61 2.042 -8.564 -7.975 1.00 0.00 N ATOM 874 CA ILE A 61 1.280 -7.816 -6.983 1.00 0.00 C ATOM 875 C ILE A 61 1.731 -8.160 -5.568 1.00 0.00 C ATOM 876 O ILE A 61 1.589 -9.298 -5.118 1.00 0.00 O ATOM 877 CB ILE A 61 -0.231 -8.091 -7.109 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.735 -7.666 -8.489 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.995 -7.364 -6.013 1.00 0.00 C ATOM 880 CD1 ILE A 61 -2.147 -8.122 -8.784 1.00 0.00 C ATOM 0 H ILE A 61 1.738 -9.530 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 61 1.466 -6.759 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.401 -9.161 -6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.690 -6.580 -8.565 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.066 -8.067 -9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.061 -7.568 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.651 -7.711 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.821 -6.291 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.438 -7.785 -9.779 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.194 -9.210 -8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.828 -7.700 -8.045 1.00 0.00 H new ATOM 892 N LEU A 62 2.275 -7.170 -4.869 1.00 0.00 N ATOM 893 CA LEU A 62 2.746 -7.367 -3.502 1.00 0.00 C ATOM 894 C LEU A 62 1.650 -7.036 -2.495 1.00 0.00 C ATOM 895 O LEU A 62 1.356 -7.828 -1.598 1.00 0.00 O ATOM 896 CB LEU A 62 3.978 -6.500 -3.237 1.00 0.00 C ATOM 897 CG LEU A 62 5.327 -7.121 -3.599 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.463 -6.170 -3.253 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.510 -8.453 -2.886 1.00 0.00 C ATOM 0 H LEU A 62 2.401 -6.223 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 62 3.016 -8.417 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.869 -5.569 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.993 -6.239 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 62 5.345 -7.301 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.415 -6.629 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.341 -5.240 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.447 -5.958 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.476 -8.880 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.471 -8.297 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.715 -9.137 -3.183 1.00 0.00 H new ATOM 911 N LEU A 63 1.047 -5.862 -2.650 1.00 0.00 N ATOM 912 CA LEU A 63 -0.020 -5.427 -1.755 1.00 0.00 C ATOM 913 C LEU A 63 -0.953 -4.446 -2.457 1.00 0.00 C ATOM 914 O LEU A 63 -0.562 -3.327 -2.784 1.00 0.00 O ATOM 915 CB LEU A 63 0.572 -4.777 -0.503 1.00 0.00 C ATOM 916 CG LEU A 63 -0.403 -3.977 0.363 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.247 -4.909 1.217 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.351 -2.985 1.237 1.00 0.00 C ATOM 0 H LEU A 63 1.278 -5.195 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.597 -6.305 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.016 -5.559 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.382 -4.115 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.069 -3.418 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.934 -4.322 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.815 -5.579 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.597 -5.496 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.358 -2.425 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.041 -3.524 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.911 -2.295 0.605 1.00 0.00 H new ATOM 930 N ASN A 64 -2.191 -4.875 -2.685 1.00 0.00 N ATOM 931 CA ASN A 64 -3.181 -4.034 -3.347 1.00 0.00 C ATOM 932 C ASN A 64 -4.406 -3.834 -2.460 1.00 0.00 C ATOM 933 O ASN A 64 -5.161 -4.772 -2.205 1.00 0.00 O ATOM 934 CB ASN A 64 -3.600 -4.657 -4.681 1.00 0.00 C ATOM 935 CG ASN A 64 -4.464 -3.725 -5.508 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.878 -2.665 -5.040 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.739 -4.118 -6.747 1.00 0.00 N ATOM 0 H ASN A 64 -2.532 -5.800 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.727 -3.061 -3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.709 -4.923 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.145 -5.582 -4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.315 -3.532 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.374 -5.005 -7.093 1.00 0.00 H new ATOM 944 N VAL A 65 -4.596 -2.604 -1.992 1.00 0.00 N ATOM 945 CA VAL A 65 -5.729 -2.279 -1.134 1.00 0.00 C ATOM 946 C VAL A 65 -6.137 -0.819 -1.292 1.00 0.00 C ATOM 947 O VAL A 65 -5.444 -0.036 -1.943 1.00 0.00 O ATOM 948 CB VAL A 65 -5.409 -2.554 0.347 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.199 -4.043 0.581 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.188 -1.760 0.784 1.00 0.00 C ATOM 0 H VAL A 65 -3.980 -1.816 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.555 -2.919 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.258 -2.232 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.974 -4.218 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.104 -4.585 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.368 -4.394 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.976 -1.966 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.330 -2.049 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.381 -0.695 0.656 1.00 0.00 H new ATOM 960 N LEU A 66 -7.266 -0.458 -0.692 1.00 0.00 N ATOM 961 CA LEU A 66 -7.768 0.910 -0.765 1.00 0.00 C ATOM 962 C LEU A 66 -7.711 1.584 0.602 1.00 0.00 C ATOM 963 O LEU A 66 -7.908 0.938 1.632 1.00 0.00 O ATOM 964 CB LEU A 66 -9.203 0.921 -1.293 1.00 0.00 C ATOM 965 CG LEU A 66 -9.392 0.448 -2.735 1.00 0.00 C ATOM 966 CD1 LEU A 66 -10.799 -0.091 -2.940 1.00 0.00 C ATOM 967 CD2 LEU A 66 -9.105 1.581 -3.709 1.00 0.00 C ATOM 0 H LEU A 66 -7.851 -1.093 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.132 1.468 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.813 0.293 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.591 1.936 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.685 -0.359 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.915 -0.423 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.968 -0.932 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.524 0.695 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.244 1.227 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.787 2.409 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.077 1.920 -3.580 1.00 0.00 H new ATOM 979 N ILE A 67 -7.444 2.886 0.604 1.00 0.00 N ATOM 980 CA ILE A 67 -7.366 3.648 1.844 1.00 0.00 C ATOM 981 C ILE A 67 -8.755 4.039 2.337 1.00 0.00 C ATOM 982 O ILE A 67 -9.447 4.859 1.733 1.00 0.00 O ATOM 983 CB ILE A 67 -6.517 4.921 1.670 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.100 4.558 1.222 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.481 5.715 2.968 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.265 5.757 0.830 1.00 0.00 C ATOM 0 H ILE A 67 -7.278 3.435 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.890 3.002 2.582 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.974 5.542 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.598 4.024 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.159 3.874 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.877 6.612 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.495 6.000 3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.045 5.103 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.273 5.425 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.745 6.280 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.175 6.432 1.681 1.00 0.00 H new ATOM 998 N PRO A 68 -9.173 3.442 3.463 1.00 0.00 N ATOM 999 CA PRO A 68 -10.482 3.714 4.064 1.00 0.00 C ATOM 1000 C PRO A 68 -10.566 5.115 4.660 1.00 0.00 C ATOM 1001 O PRO A 68 -9.564 5.816 4.804 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.594 2.657 5.165 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.184 2.321 5.512 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.401 2.455 4.235 1.00 0.00 C ATOM 0 HA PRO A 68 -11.285 3.669 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.134 3.042 6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.136 1.778 4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.799 2.994 6.278 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.111 1.309 5.911 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.383 2.798 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.325 1.504 3.709 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.788 5.535 5.017 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.031 6.856 5.605 1.00 0.00 C ATOM 1014 C PRO A 69 -11.471 6.974 7.019 1.00 0.00 C ATOM 1015 O PRO A 69 -11.211 8.074 7.503 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.559 6.960 5.625 1.00 0.00 C ATOM 1017 CG PRO A 69 -14.034 5.549 5.660 1.00 0.00 C ATOM 1018 CD PRO A 69 -13.028 4.753 4.875 1.00 0.00 C ATOM 0 HA PRO A 69 -11.543 7.649 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.907 7.516 6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.932 7.482 4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.104 5.186 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.028 5.461 5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.915 3.745 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.322 4.652 3.830 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.288 5.832 7.674 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.759 5.808 9.033 1.00 0.00 C ATOM 1028 C ASN A 70 -9.548 4.884 9.129 1.00 0.00 C ATOM 1029 O ASN A 70 -9.689 3.662 9.165 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.840 5.354 10.016 1.00 0.00 C ATOM 1031 CG ASN A 70 -11.541 5.778 11.441 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -11.343 6.961 11.719 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -11.507 4.812 12.351 1.00 0.00 N ATOM 0 H ASN A 70 -11.498 4.912 7.286 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.444 6.819 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.801 5.767 9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.932 4.269 9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.311 5.037 13.326 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.677 3.845 12.075 1.00 0.00 H new ATOM 1040 N MET A 71 -8.360 5.477 9.170 1.00 0.00 N ATOM 1041 CA MET A 71 -7.125 4.708 9.263 1.00 0.00 C ATOM 1042 C MET A 71 -6.082 5.451 10.092 1.00 0.00 C ATOM 1043 O MET A 71 -5.685 6.572 9.773 1.00 0.00 O ATOM 1044 CB MET A 71 -6.572 4.419 7.866 1.00 0.00 C ATOM 1045 CG MET A 71 -5.165 3.842 7.876 1.00 0.00 C ATOM 1046 SD MET A 71 -4.287 4.126 6.328 1.00 0.00 S ATOM 1047 CE MET A 71 -2.973 5.212 6.878 1.00 0.00 C ATOM 0 H MET A 71 -8.226 6.488 9.140 1.00 0.00 H new ATOM 0 HA MET A 71 -7.351 3.764 9.759 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.238 3.722 7.358 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.573 5.342 7.286 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.600 4.286 8.696 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.217 2.770 8.068 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.030 4.898 6.430 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.196 6.235 6.575 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.892 5.165 7.964 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.627 4.815 11.181 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.625 5.398 12.078 1.00 0.00 C ATOM 1059 C PRO A 72 -3.246 5.480 11.431 1.00 0.00 C ATOM 1060 O PRO A 72 -2.805 4.542 10.766 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.602 4.429 13.263 1.00 0.00 C ATOM 1062 CG PRO A 72 -5.066 3.130 12.699 1.00 0.00 C ATOM 1063 CD PRO A 72 -6.056 3.477 11.622 1.00 0.00 C ATOM 0 HA PRO A 72 -4.872 6.423 12.353 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.600 4.343 13.684 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.257 4.769 14.065 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.230 2.560 12.292 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.528 2.513 13.469 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.029 2.757 10.804 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.077 3.488 12.003 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.571 6.607 11.629 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.242 6.812 11.064 1.00 0.00 C ATOM 1073 C CYS A 73 -0.204 6.987 12.167 1.00 0.00 C ATOM 1074 O CYS A 73 -0.419 7.728 13.127 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.239 8.034 10.145 1.00 0.00 C ATOM 1076 SG CYS A 73 -2.506 7.992 8.856 1.00 0.00 S ATOM 0 H CYS A 73 -2.922 7.393 12.176 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.981 5.928 10.482 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.381 8.930 10.749 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.260 8.119 9.674 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.583 7.435 9.324 1.00 0.00 H new ATOM 1082 N THR A 74 0.924 6.297 12.025 1.00 0.00 N ATOM 1083 CA THR A 74 1.996 6.374 13.010 1.00 0.00 C ATOM 1084 C THR A 74 3.353 6.532 12.335 1.00 0.00 C ATOM 1085 O THR A 74 3.899 5.574 11.786 1.00 0.00 O ATOM 1086 CB THR A 74 2.024 5.122 13.908 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.499 3.997 13.196 1.00 0.00 O ATOM 1088 CG2 THR A 74 1.215 5.348 15.177 1.00 0.00 C ATOM 0 H THR A 74 1.119 5.679 11.237 1.00 0.00 H new ATOM 0 HA THR A 74 1.797 7.250 13.627 1.00 0.00 H new ATOM 0 HB THR A 74 3.059 4.924 14.186 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.373 3.248 13.815 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.249 4.451 15.795 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.635 6.187 15.732 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.180 5.568 14.914 1.00 0.00 H new ATOM 1096 N ARG A 75 3.894 7.745 12.380 1.00 0.00 N ATOM 1097 CA ARG A 75 5.188 8.028 11.772 1.00 0.00 C ATOM 1098 C ARG A 75 6.325 7.695 12.734 1.00 0.00 C ATOM 1099 O ARG A 75 6.467 8.321 13.785 1.00 0.00 O ATOM 1100 CB ARG A 75 5.270 9.498 11.357 1.00 0.00 C ATOM 1101 CG ARG A 75 4.793 9.757 9.937 1.00 0.00 C ATOM 1102 CD ARG A 75 5.823 9.309 8.912 1.00 0.00 C ATOM 1103 NE ARG A 75 6.824 10.341 8.655 1.00 0.00 N ATOM 1104 CZ ARG A 75 7.969 10.436 9.321 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.257 9.567 10.280 1.00 0.00 N ATOM 1106 NH2 ARG A 75 8.830 11.403 9.029 1.00 0.00 N ATOM 0 H ARG A 75 3.456 8.548 12.832 1.00 0.00 H new ATOM 0 HA ARG A 75 5.290 7.402 10.886 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.673 10.095 12.046 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.302 9.837 11.452 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.855 9.230 9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.589 10.820 9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.318 8.405 9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.319 9.053 7.980 1.00 0.00 H new ATOM 0 HE ARG A 75 6.633 11.026 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.598 8.822 10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.137 9.643 10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.613 12.074 8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.709 11.475 9.541 1.00 0.00 H new ATOM 1120 N THR A 76 7.134 6.706 12.367 1.00 0.00 N ATOM 1121 CA THR A 76 8.257 6.289 13.197 1.00 0.00 C ATOM 1122 C THR A 76 9.584 6.731 12.590 1.00 0.00 C ATOM 1123 O THR A 76 9.687 6.934 11.381 1.00 0.00 O ATOM 1124 CB THR A 76 8.277 4.761 13.389 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.500 4.362 14.018 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.131 4.046 12.054 1.00 0.00 C ATOM 0 H THR A 76 7.032 6.179 11.500 1.00 0.00 H new ATOM 0 HA THR A 76 8.127 6.768 14.167 1.00 0.00 H new ATOM 0 HB THR A 76 7.435 4.486 14.025 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.504 3.389 14.138 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.148 2.968 12.215 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.186 4.329 11.591 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.955 4.328 11.398 1.00 0.00 H new ATOM 1134 N GLY A 77 10.598 6.879 13.437 1.00 0.00 N ATOM 1135 CA GLY A 77 11.905 7.295 12.965 1.00 0.00 C ATOM 1136 C GLY A 77 11.840 8.540 12.103 1.00 0.00 C ATOM 1137 O GLY A 77 11.001 9.414 12.322 1.00 0.00 O ATOM 0 H GLY A 77 10.537 6.718 14.442 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.554 7.482 13.820 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.357 6.484 12.394 1.00 0.00 H new ATOM 1141 N LYS A 78 12.729 8.624 11.119 1.00 0.00 N ATOM 1142 CA LYS A 78 12.771 9.771 10.220 1.00 0.00 C ATOM 1143 C LYS A 78 12.417 9.359 8.795 1.00 0.00 C ATOM 1144 O LYS A 78 11.840 10.138 8.039 1.00 0.00 O ATOM 1145 CB LYS A 78 14.159 10.416 10.247 1.00 0.00 C ATOM 1146 CG LYS A 78 15.223 9.597 9.537 1.00 0.00 C ATOM 1147 CD LYS A 78 15.956 8.680 10.502 1.00 0.00 C ATOM 1148 CE LYS A 78 16.978 9.444 11.330 1.00 0.00 C ATOM 1149 NZ LYS A 78 18.278 9.581 10.617 1.00 0.00 N ATOM 0 H LYS A 78 13.431 7.910 10.924 1.00 0.00 H new ATOM 0 HA LYS A 78 12.034 10.497 10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.102 11.401 9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.460 10.567 11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.761 9.003 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.937 10.265 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.237 8.198 11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.457 7.889 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.587 10.434 11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.136 8.929 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.948 10.107 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.664 8.637 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.132 10.095 9.725 1.00 0.00 H new ATOM 1163 N ASN A 79 12.767 8.128 8.436 1.00 0.00 N ATOM 1164 CA ASN A 79 12.485 7.612 7.101 1.00 0.00 C ATOM 1165 C ASN A 79 11.555 6.405 7.170 1.00 0.00 C ATOM 1166 O ASN A 79 11.411 5.663 6.199 1.00 0.00 O ATOM 1167 CB ASN A 79 13.787 7.227 6.395 1.00 0.00 C ATOM 1168 CG ASN A 79 14.129 5.760 6.572 1.00 0.00 C ATOM 1169 OD1 ASN A 79 13.907 5.184 7.637 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.674 5.150 5.526 1.00 0.00 N ATOM 0 H ASN A 79 13.246 7.470 9.050 1.00 0.00 H new ATOM 0 HA ASN A 79 11.989 8.398 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.701 7.451 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.602 7.837 6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.927 4.164 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.840 5.668 4.663 1.00 0.00 H new ATOM 1177 N ASN A 80 10.926 6.214 8.325 1.00 0.00 N ATOM 1178 CA ASN A 80 10.009 5.097 8.521 1.00 0.00 C ATOM 1179 C ASN A 80 8.575 5.592 8.683 1.00 0.00 C ATOM 1180 O ASN A 80 8.338 6.679 9.209 1.00 0.00 O ATOM 1181 CB ASN A 80 10.420 4.282 9.748 1.00 0.00 C ATOM 1182 CG ASN A 80 11.871 3.843 9.691 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.410 3.582 8.616 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.510 3.760 10.853 1.00 0.00 N ATOM 0 H ASN A 80 11.035 6.818 9.140 1.00 0.00 H new ATOM 0 HA ASN A 80 10.057 4.461 7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.258 4.877 10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.780 3.403 9.828 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.488 3.470 10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.023 3.986 11.720 1.00 0.00 H new ATOM 1191 N VAL A 81 7.621 4.786 8.227 1.00 0.00 N ATOM 1192 CA VAL A 81 6.210 5.141 8.322 1.00 0.00 C ATOM 1193 C VAL A 81 5.367 3.935 8.722 1.00 0.00 C ATOM 1194 O VAL A 81 5.316 2.934 8.006 1.00 0.00 O ATOM 1195 CB VAL A 81 5.682 5.704 6.990 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.232 6.143 7.132 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.553 6.858 6.517 1.00 0.00 C ATOM 0 H VAL A 81 7.800 3.883 7.788 1.00 0.00 H new ATOM 0 HA VAL A 81 6.127 5.910 9.090 1.00 0.00 H new ATOM 0 HB VAL A 81 5.725 4.915 6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.877 6.538 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.620 5.289 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.159 6.917 7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.165 7.244 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.544 7.651 7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.575 6.507 6.373 1.00 0.00 H new ATOM 1207 N LEU A 82 4.705 4.038 9.869 1.00 0.00 N ATOM 1208 CA LEU A 82 3.862 2.956 10.365 1.00 0.00 C ATOM 1209 C LEU A 82 2.386 3.270 10.144 1.00 0.00 C ATOM 1210 O LEU A 82 1.947 4.405 10.337 1.00 0.00 O ATOM 1211 CB LEU A 82 4.127 2.717 11.853 1.00 0.00 C ATOM 1212 CG LEU A 82 3.836 1.307 12.369 1.00 0.00 C ATOM 1213 CD1 LEU A 82 4.838 0.314 11.801 1.00 0.00 C ATOM 1214 CD2 LEU A 82 3.859 1.281 13.890 1.00 0.00 C ATOM 0 H LEU A 82 4.736 4.859 10.473 1.00 0.00 H new ATOM 0 HA LEU A 82 4.109 2.052 9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.172 2.948 12.057 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.527 3.423 12.426 1.00 0.00 H new ATOM 0 HG LEU A 82 2.840 1.017 12.036 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.616 -0.684 12.179 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.772 0.313 10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.845 0.600 12.103 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.650 0.270 14.240 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.842 1.592 14.244 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.102 1.963 14.277 1.00 0.00 H new ATOM 1226 N ILE A 83 1.625 2.259 9.740 1.00 0.00 N ATOM 1227 CA ILE A 83 0.197 2.428 9.496 1.00 0.00 C ATOM 1228 C ILE A 83 -0.544 1.103 9.634 1.00 0.00 C ATOM 1229 O ILE A 83 0.018 0.035 9.390 1.00 0.00 O ATOM 1230 CB ILE A 83 -0.069 3.009 8.095 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.635 2.169 7.028 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.391 4.457 8.025 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.127 2.422 5.626 1.00 0.00 C ATOM 0 H ILE A 83 1.973 1.314 9.575 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.172 3.127 10.246 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.142 2.980 7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.704 2.377 7.061 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.508 1.113 7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.196 4.853 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.152 5.047 8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.460 4.510 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.672 1.792 4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.936 2.187 5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.279 3.470 5.368 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.812 1.179 10.026 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.633 -0.014 10.195 1.00 0.00 C ATOM 1247 C VAL A 84 -3.604 -0.182 9.031 1.00 0.00 C ATOM 1248 O VAL A 84 -4.437 0.689 8.774 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.430 0.034 11.511 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -4.095 -1.307 11.783 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.526 0.434 12.667 1.00 0.00 C ATOM 0 H VAL A 84 -2.293 2.054 10.232 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.952 -0.865 10.223 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.212 0.787 11.414 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.654 -1.253 12.717 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.776 -1.548 10.967 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.333 -2.082 11.860 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.106 0.463 13.589 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.720 -0.293 12.768 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.103 1.420 12.474 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.492 -1.305 8.332 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.361 -1.587 7.194 1.00 0.00 C ATOM 1263 C CYS A 85 -4.467 -3.089 6.951 1.00 0.00 C ATOM 1264 O CYS A 85 -3.589 -3.857 7.346 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.834 -0.891 5.938 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.147 -1.360 5.487 1.00 0.00 S ATOM 0 H CYS A 85 -2.809 -2.035 8.532 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.355 -1.203 7.423 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.498 -1.118 5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.871 0.188 6.091 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.792 -0.721 4.412 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.549 -3.503 6.298 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.771 -4.913 6.003 1.00 0.00 C ATOM 1274 C VAL A 86 -4.934 -5.363 4.811 1.00 0.00 C ATOM 1275 O VAL A 86 -5.107 -4.893 3.686 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.256 -5.198 5.710 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.455 -6.657 5.329 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -8.115 -4.830 6.910 1.00 0.00 C ATOM 0 H VAL A 86 -6.285 -2.881 5.963 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.469 -5.473 6.888 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.567 -4.582 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.510 -6.839 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.869 -6.884 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.128 -7.295 6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.161 -5.038 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.805 -5.419 7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.995 -3.770 7.132 1.00 0.00 H new ATOM 1288 N PRO A 87 -4.003 -6.296 5.060 1.00 0.00 N ATOM 1289 CA PRO A 87 -3.120 -6.831 4.019 1.00 0.00 C ATOM 1290 C PRO A 87 -3.867 -7.705 3.018 1.00 0.00 C ATOM 1291 O PRO A 87 -4.621 -8.598 3.401 1.00 0.00 O ATOM 1292 CB PRO A 87 -2.108 -7.667 4.808 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.825 -8.049 6.057 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.741 -6.900 6.377 1.00 0.00 C ATOM 0 HA PRO A 87 -2.667 -6.039 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.797 -8.547 4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.207 -7.094 5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.390 -8.971 5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.123 -8.227 6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.661 -7.240 6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.272 -6.190 7.059 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.653 -7.440 1.733 1.00 0.00 N ATOM 1303 CA ASN A 88 -4.307 -8.203 0.676 1.00 0.00 C ATOM 1304 C ASN A 88 -3.278 -8.826 -0.262 1.00 0.00 C ATOM 1305 O ASN A 88 -2.529 -8.133 -0.951 1.00 0.00 O ATOM 1306 CB ASN A 88 -5.258 -7.304 -0.117 1.00 0.00 C ATOM 1307 CG ASN A 88 -6.608 -7.153 0.557 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -6.714 -7.224 1.782 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -7.648 -6.944 -0.242 1.00 0.00 N ATOM 0 H ASN A 88 -3.032 -6.703 1.399 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.880 -9.005 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.805 -6.320 -0.241 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.398 -7.719 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.582 -6.835 0.154 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.513 -6.892 -1.252 1.00 0.00 H new ATOM 1316 N PRO A 89 -3.239 -10.167 -0.291 1.00 0.00 N ATOM 1317 CA PRO A 89 -4.125 -11.002 0.525 1.00 0.00 C ATOM 1318 C PRO A 89 -3.787 -10.927 2.010 1.00 0.00 C ATOM 1319 O PRO A 89 -2.718 -10.463 2.405 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.873 -12.414 -0.010 1.00 0.00 C ATOM 1321 CG PRO A 89 -2.498 -12.363 -0.582 1.00 0.00 C ATOM 1322 CD PRO A 89 -2.326 -10.970 -1.122 1.00 0.00 C ATOM 0 HA PRO A 89 -5.165 -10.683 0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.944 -13.157 0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.607 -12.687 -0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.750 -12.581 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.376 -13.105 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.295 -10.628 -1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.589 -10.913 -2.178 1.00 0.00 H new ATOM 1330 N PRO A 90 -4.719 -11.394 2.854 1.00 0.00 N ATOM 1331 CA PRO A 90 -4.542 -11.391 4.309 1.00 0.00 C ATOM 1332 C PRO A 90 -3.487 -12.391 4.767 1.00 0.00 C ATOM 1333 O PRO A 90 -3.383 -13.491 4.222 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.923 -11.792 4.835 1.00 0.00 C ATOM 1335 CG PRO A 90 -6.540 -12.570 3.725 1.00 0.00 C ATOM 1336 CD PRO A 90 -6.018 -11.961 2.453 1.00 0.00 C ATOM 0 HA PRO A 90 -4.195 -10.425 4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.842 -12.392 5.742 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.521 -10.916 5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.272 -13.624 3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.628 -12.514 3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.905 -12.708 1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.690 -11.193 2.070 1.00 0.00 H new ATOM 1344 N ILE A 91 -2.706 -12.004 5.770 1.00 0.00 N ATOM 1345 CA ILE A 91 -1.660 -12.868 6.301 1.00 0.00 C ATOM 1346 C ILE A 91 -2.220 -14.230 6.698 1.00 0.00 C ATOM 1347 O ILE A 91 -1.636 -15.268 6.385 1.00 0.00 O ATOM 1348 CB ILE A 91 -0.971 -12.233 7.523 1.00 0.00 C ATOM 1349 CG1 ILE A 91 -0.526 -10.805 7.200 1.00 0.00 C ATOM 1350 CG2 ILE A 91 0.216 -13.077 7.961 1.00 0.00 C ATOM 1351 CD1 ILE A 91 0.460 -10.724 6.056 1.00 0.00 C ATOM 0 H ILE A 91 -2.778 -11.097 6.231 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.925 -12.998 5.507 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.686 -12.194 8.345 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.403 -10.206 6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.076 -10.363 8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.692 -12.615 8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.127 -14.077 8.227 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.935 -13.145 7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.731 -9.683 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.354 -11.295 6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.006 -11.136 5.155 1.00 0.00 H new ATOM 1363 N ASP A 92 -3.356 -14.218 7.387 1.00 0.00 N ATOM 1364 CA ASP A 92 -3.997 -15.452 7.824 1.00 0.00 C ATOM 1365 C ASP A 92 -5.516 -15.337 7.733 1.00 0.00 C ATOM 1366 O ASP A 92 -6.056 -14.243 7.573 1.00 0.00 O ATOM 1367 CB ASP A 92 -3.584 -15.786 9.258 1.00 0.00 C ATOM 1368 CG ASP A 92 -2.091 -16.011 9.393 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -1.360 -15.025 9.622 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -1.653 -17.174 9.270 1.00 0.00 O ATOM 0 H ASP A 92 -3.851 -13.367 7.655 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.671 -16.255 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.887 -14.974 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.114 -16.680 9.587 1.00 0.00 H new ATOM 1375 N GLU A 93 -6.198 -16.473 7.835 1.00 0.00 N ATOM 1376 CA GLU A 93 -7.654 -16.499 7.762 1.00 0.00 C ATOM 1377 C GLU A 93 -8.273 -16.001 9.065 1.00 0.00 C ATOM 1378 O GLU A 93 -9.262 -15.269 9.056 1.00 0.00 O ATOM 1379 CB GLU A 93 -8.147 -17.915 7.458 1.00 0.00 C ATOM 1380 CG GLU A 93 -7.855 -18.370 6.038 1.00 0.00 C ATOM 1381 CD GLU A 93 -8.811 -17.771 5.026 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -9.991 -17.561 5.377 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -8.380 -17.514 3.882 1.00 0.00 O ATOM 0 H GLU A 93 -5.766 -17.387 7.968 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.964 -15.834 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.681 -18.610 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.222 -17.961 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.834 -18.095 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.914 -19.457 5.989 1.00 0.00 H new ATOM 1390 N LYS A 94 -7.683 -16.405 10.185 1.00 0.00 N ATOM 1391 CA LYS A 94 -8.174 -16.001 11.497 1.00 0.00 C ATOM 1392 C LYS A 94 -8.125 -14.485 11.654 1.00 0.00 C ATOM 1393 O LYS A 94 -9.119 -13.856 12.012 1.00 0.00 O ATOM 1394 CB LYS A 94 -7.348 -16.666 12.600 1.00 0.00 C ATOM 1395 CG LYS A 94 -7.509 -18.175 12.656 1.00 0.00 C ATOM 1396 CD LYS A 94 -8.884 -18.571 13.169 1.00 0.00 C ATOM 1397 CE LYS A 94 -9.273 -19.965 12.703 1.00 0.00 C ATOM 1398 NZ LYS A 94 -10.652 -20.329 13.131 1.00 0.00 N ATOM 0 H LYS A 94 -6.864 -17.012 10.210 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.212 -16.323 11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.295 -16.427 12.448 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.635 -16.243 13.562 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.356 -18.595 11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.742 -18.600 13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.891 -18.535 14.258 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.624 -17.850 12.822 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.205 -20.017 11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.565 -20.692 13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.879 -21.286 12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.711 -20.305 14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.330 -19.651 12.730 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.960 -13.904 11.382 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.782 -12.461 11.492 1.00 0.00 C ATOM 1414 C ASN A 95 -7.019 -11.780 10.148 1.00 0.00 C ATOM 1415 O ASN A 95 -6.690 -10.608 9.968 1.00 0.00 O ATOM 1416 CB ASN A 95 -5.375 -12.138 11.999 1.00 0.00 C ATOM 1417 CG ASN A 95 -4.989 -12.972 13.205 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -5.534 -12.798 14.294 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -4.043 -13.885 13.014 1.00 0.00 N ATOM 0 H ASN A 95 -6.126 -14.410 11.084 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.514 -12.082 12.205 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.655 -12.308 11.198 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.319 -11.081 12.259 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.741 -14.476 13.788 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.618 -13.995 12.093 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.593 -12.523 9.207 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.878 -11.990 7.880 1.00 0.00 C ATOM 1428 C ALA A 96 -8.643 -10.674 7.970 1.00 0.00 C ATOM 1429 O ALA A 96 -8.239 -9.667 7.387 1.00 0.00 O ATOM 1430 CB ALA A 96 -8.661 -13.004 7.061 1.00 0.00 C ATOM 0 H ALA A 96 -7.870 -13.496 9.339 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.928 -11.794 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.867 -12.593 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.077 -13.918 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.602 -13.229 7.563 1.00 0.00 H new ATOM 1436 N THR A 97 -9.752 -10.688 8.703 1.00 0.00 N ATOM 1437 CA THR A 97 -10.575 -9.497 8.867 1.00 0.00 C ATOM 1438 C THR A 97 -9.807 -8.392 9.583 1.00 0.00 C ATOM 1439 O THR A 97 -9.884 -7.224 9.203 1.00 0.00 O ATOM 1440 CB THR A 97 -11.861 -9.807 9.657 1.00 0.00 C ATOM 1441 OG1 THR A 97 -11.529 -10.299 10.960 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.712 -10.832 8.923 1.00 0.00 C ATOM 0 H THR A 97 -10.101 -11.512 9.193 1.00 0.00 H new ATOM 0 HA THR A 97 -10.844 -9.159 7.866 1.00 0.00 H new ATOM 0 HB THR A 97 -12.434 -8.885 9.753 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.352 -10.492 11.456 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.615 -11.035 9.499 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.987 -10.442 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.145 -11.755 8.800 1.00 0.00 H new ATOM 1450 N MET A 98 -9.065 -8.769 10.619 1.00 0.00 N ATOM 1451 CA MET A 98 -8.281 -7.808 11.386 1.00 0.00 C ATOM 1452 C MET A 98 -7.018 -7.410 10.630 1.00 0.00 C ATOM 1453 O MET A 98 -6.302 -8.249 10.083 1.00 0.00 O ATOM 1454 CB MET A 98 -7.909 -8.394 12.750 1.00 0.00 C ATOM 1455 CG MET A 98 -8.915 -8.073 13.844 1.00 0.00 C ATOM 1456 SD MET A 98 -8.279 -8.421 15.495 1.00 0.00 S ATOM 1457 CE MET A 98 -7.094 -7.092 15.689 1.00 0.00 C ATOM 0 H MET A 98 -8.990 -9.732 10.946 1.00 0.00 H new ATOM 0 HA MET A 98 -8.890 -6.917 11.535 1.00 0.00 H new ATOM 0 HB2 MET A 98 -7.817 -9.476 12.659 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.931 -8.015 13.045 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.192 -7.021 13.780 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.823 -8.653 13.679 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.867 -6.959 16.747 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.179 -7.338 15.150 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.514 -6.169 15.289 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.736 -6.099 10.596 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.558 -5.560 9.909 1.00 0.00 C ATOM 1469 C PRO A 99 -4.258 -5.921 10.619 1.00 0.00 C ATOM 1470 O PRO A 99 -4.272 -6.459 11.726 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.787 -4.047 9.948 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.665 -3.826 11.131 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.545 -5.042 11.225 1.00 0.00 C ATOM 0 HA PRO A 99 -5.453 -5.963 8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.846 -3.507 10.048 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.261 -3.695 9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.074 -3.701 12.038 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.261 -2.921 11.011 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.787 -5.284 12.260 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.490 -4.895 10.703 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.134 -5.621 9.974 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.825 -5.913 10.545 1.00 0.00 C ATOM 1483 C VAL A 100 -0.915 -4.691 10.485 1.00 0.00 C ATOM 1484 O VAL A 100 -1.122 -3.787 9.674 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.142 -7.084 9.814 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -2.079 -8.280 9.729 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.687 -6.654 8.427 1.00 0.00 C ATOM 0 H VAL A 100 -3.105 -5.176 9.057 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.989 -6.191 11.586 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.262 -7.381 10.384 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.579 -9.098 9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.351 -8.601 10.734 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.979 -7.999 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.207 -7.494 7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.550 -6.329 7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.022 -5.831 8.516 1.00 0.00 H new ATOM 1497 N THR A 101 0.096 -4.669 11.349 1.00 0.00 N ATOM 1498 CA THR A 101 1.038 -3.559 11.395 1.00 0.00 C ATOM 1499 C THR A 101 1.959 -3.568 10.181 1.00 0.00 C ATOM 1500 O THR A 101 2.760 -4.486 10.005 1.00 0.00 O ATOM 1501 CB THR A 101 1.893 -3.601 12.675 1.00 0.00 C ATOM 1502 OG1 THR A 101 1.047 -3.608 13.830 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.834 -2.407 12.737 1.00 0.00 C ATOM 0 H THR A 101 0.283 -5.408 12.026 1.00 0.00 H new ATOM 0 HA THR A 101 0.447 -2.643 11.392 1.00 0.00 H new ATOM 0 HB THR A 101 2.489 -4.513 12.657 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.599 -3.637 14.639 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.427 -2.458 13.650 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.497 -2.421 11.872 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.253 -1.485 12.734 1.00 0.00 H new ATOM 1511 N MET A 102 1.841 -2.541 9.346 1.00 0.00 N ATOM 1512 CA MET A 102 2.666 -2.431 8.149 1.00 0.00 C ATOM 1513 C MET A 102 3.584 -1.216 8.230 1.00 0.00 C ATOM 1514 O MET A 102 3.140 -0.109 8.541 1.00 0.00 O ATOM 1515 CB MET A 102 1.784 -2.335 6.902 1.00 0.00 C ATOM 1516 CG MET A 102 1.310 -3.685 6.388 1.00 0.00 C ATOM 1517 SD MET A 102 2.536 -4.501 5.347 1.00 0.00 S ATOM 1518 CE MET A 102 1.484 -5.533 4.330 1.00 0.00 C ATOM 0 H MET A 102 1.182 -1.773 9.476 1.00 0.00 H new ATOM 0 HA MET A 102 3.283 -3.327 8.081 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.916 -1.716 7.128 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.339 -1.829 6.112 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.072 -4.329 7.235 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.389 -3.551 5.821 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.090 -6.048 3.585 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.979 -6.267 4.957 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.742 -4.913 3.828 1.00 0.00 H new ATOM 1528 N LEU A 103 4.866 -1.428 7.951 1.00 0.00 N ATOM 1529 CA LEU A 103 5.847 -0.349 7.994 1.00 0.00 C ATOM 1530 C LEU A 103 6.431 -0.090 6.609 1.00 0.00 C ATOM 1531 O LEU A 103 6.587 -1.012 5.808 1.00 0.00 O ATOM 1532 CB LEU A 103 6.968 -0.691 8.977 1.00 0.00 C ATOM 1533 CG LEU A 103 7.682 0.498 9.620 1.00 0.00 C ATOM 1534 CD1 LEU A 103 8.346 0.080 10.923 1.00 0.00 C ATOM 1535 CD2 LEU A 103 8.707 1.087 8.662 1.00 0.00 C ATOM 0 H LEU A 103 5.250 -2.337 7.693 1.00 0.00 H new ATOM 0 HA LEU A 103 5.341 0.556 8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.552 -1.312 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.710 -1.296 8.455 1.00 0.00 H new ATOM 0 HG LEU A 103 6.941 1.265 9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.849 0.939 11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.590 -0.294 11.613 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.075 -0.705 10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.205 1.932 9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.446 0.327 8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.205 1.424 7.755 1.00 0.00 H new ATOM 1547 N ILE A 104 6.754 1.170 6.335 1.00 0.00 N ATOM 1548 CA ILE A 104 7.325 1.549 5.048 1.00 0.00 C ATOM 1549 C ILE A 104 8.693 2.198 5.224 1.00 0.00 C ATOM 1550 O ILE A 104 8.831 3.199 5.927 1.00 0.00 O ATOM 1551 CB ILE A 104 6.402 2.520 4.288 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.041 1.869 4.031 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.047 2.946 2.977 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.092 1.971 5.205 1.00 0.00 C ATOM 0 H ILE A 104 6.630 1.945 6.986 1.00 0.00 H new ATOM 0 HA ILE A 104 7.432 0.633 4.467 1.00 0.00 H new ATOM 0 HB ILE A 104 6.249 3.408 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.581 2.338 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.191 0.818 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.383 3.632 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.995 3.444 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.226 2.067 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.148 1.489 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.531 1.477 6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.913 3.021 5.438 1.00 0.00 H new ATOM 1566 N ARG A 105 9.702 1.623 4.578 1.00 0.00 N ATOM 1567 CA ARG A 105 11.060 2.146 4.662 1.00 0.00 C ATOM 1568 C ARG A 105 11.490 2.759 3.332 1.00 0.00 C ATOM 1569 O ARG A 105 11.718 2.048 2.354 1.00 0.00 O ATOM 1570 CB ARG A 105 12.034 1.035 5.062 1.00 0.00 C ATOM 1571 CG ARG A 105 13.482 1.490 5.128 1.00 0.00 C ATOM 1572 CD ARG A 105 13.823 2.066 6.494 1.00 0.00 C ATOM 1573 NE ARG A 105 15.248 1.954 6.795 1.00 0.00 N ATOM 1574 CZ ARG A 105 15.738 1.928 8.029 1.00 0.00 C ATOM 1575 NH1 ARG A 105 14.922 2.006 9.072 1.00 0.00 N ATOM 1576 NH2 ARG A 105 17.046 1.825 8.223 1.00 0.00 N ATOM 0 H ARG A 105 9.605 0.795 3.991 1.00 0.00 H new ATOM 0 HA ARG A 105 11.076 2.925 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.741 0.640 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.951 0.216 4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.139 0.648 4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.664 2.241 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.526 3.114 6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.249 1.546 7.260 1.00 0.00 H new ATOM 0 HE ARG A 105 15.902 1.892 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.916 2.086 8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.301 1.986 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.677 1.766 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.421 1.805 9.171 1.00 0.00 H new ATOM 1590 N VAL A 106 11.598 4.084 3.305 1.00 0.00 N ATOM 1591 CA VAL A 106 12.000 4.793 2.096 1.00 0.00 C ATOM 1592 C VAL A 106 13.516 4.941 2.025 1.00 0.00 C ATOM 1593 O VAL A 106 14.235 4.526 2.934 1.00 0.00 O ATOM 1594 CB VAL A 106 11.355 6.190 2.024 1.00 0.00 C ATOM 1595 CG1 VAL A 106 9.852 6.075 1.821 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.672 6.988 3.280 1.00 0.00 C ATOM 0 H VAL A 106 11.413 4.687 4.106 1.00 0.00 H new ATOM 0 HA VAL A 106 11.655 4.198 1.250 1.00 0.00 H new ATOM 0 HB VAL A 106 11.773 6.720 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.414 7.072 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.650 5.544 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.413 5.526 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.209 7.972 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.283 6.463 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.752 7.101 3.376 1.00 0.00 H new ATOM 1606 N LYS A 107 13.996 5.536 0.938 1.00 0.00 N ATOM 1607 CA LYS A 107 15.427 5.741 0.747 1.00 0.00 C ATOM 1608 C LYS A 107 15.903 6.984 1.492 1.00 0.00 C ATOM 1609 O LYS A 107 16.884 6.939 2.235 1.00 0.00 O ATOM 1610 CB LYS A 107 15.749 5.872 -0.743 1.00 0.00 C ATOM 1611 CG LYS A 107 17.222 6.111 -1.028 1.00 0.00 C ATOM 1612 CD LYS A 107 17.448 6.551 -2.465 1.00 0.00 C ATOM 1613 CE LYS A 107 18.909 6.418 -2.866 1.00 0.00 C ATOM 1614 NZ LYS A 107 19.110 6.662 -4.321 1.00 0.00 N ATOM 0 H LYS A 107 13.415 5.885 0.176 1.00 0.00 H new ATOM 0 HA LYS A 107 15.950 4.874 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.431 4.964 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.169 6.695 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.606 6.872 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.784 5.198 -0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.830 5.950 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.130 7.587 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.509 7.125 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.266 5.420 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.119 6.562 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 18.558 5.971 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 18.794 7.624 -4.559 1.00 0.00 H new ATOM 1628 N THR A 108 15.200 8.095 1.289 1.00 0.00 N ATOM 1629 CA THR A 108 15.551 9.350 1.942 1.00 0.00 C ATOM 1630 C THR A 108 14.474 9.773 2.935 1.00 0.00 C ATOM 1631 O THR A 108 13.285 9.766 2.617 1.00 0.00 O ATOM 1632 CB THR A 108 15.756 10.479 0.914 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.610 10.581 0.062 1.00 0.00 O ATOM 1634 CG2 THR A 108 16.998 10.226 0.073 1.00 0.00 C ATOM 0 H THR A 108 14.385 8.151 0.678 1.00 0.00 H new ATOM 0 HA THR A 108 16.486 9.179 2.475 1.00 0.00 H new ATOM 0 HB THR A 108 15.888 11.415 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.748 11.302 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 108 17.122 11.036 -0.646 1.00 0.00 H new ATOM 0 HG22 THR A 108 17.873 10.179 0.721 1.00 0.00 H new ATOM 0 HG23 THR A 108 16.890 9.281 -0.460 1.00 0.00 H new ATOM 1642 N SER A 109 14.899 10.140 4.140 1.00 0.00 N ATOM 1643 CA SER A 109 13.970 10.563 5.182 1.00 0.00 C ATOM 1644 C SER A 109 12.977 11.586 4.641 1.00 0.00 C ATOM 1645 O SER A 109 11.765 11.426 4.783 1.00 0.00 O ATOM 1646 CB SER A 109 14.735 11.155 6.367 1.00 0.00 C ATOM 1647 OG SER A 109 15.741 10.265 6.821 1.00 0.00 O ATOM 0 H SER A 109 15.880 10.153 4.419 1.00 0.00 H new ATOM 0 HA SER A 109 13.416 9.687 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.188 12.102 6.075 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.042 11.371 7.180 1.00 0.00 H new ATOM 0 HG SER A 109 16.542 10.774 7.065 1.00 0.00 H new ATOM 1653 N GLU A 110 13.500 12.639 4.020 1.00 0.00 N ATOM 1654 CA GLU A 110 12.659 13.690 3.458 1.00 0.00 C ATOM 1655 C GLU A 110 11.420 13.098 2.794 1.00 0.00 C ATOM 1656 O GLU A 110 10.328 13.660 2.880 1.00 0.00 O ATOM 1657 CB GLU A 110 13.450 14.518 2.443 1.00 0.00 C ATOM 1658 CG GLU A 110 13.996 13.700 1.285 1.00 0.00 C ATOM 1659 CD GLU A 110 15.154 14.384 0.584 1.00 0.00 C ATOM 1660 OE1 GLU A 110 16.247 14.464 1.182 1.00 0.00 O ATOM 1661 OE2 GLU A 110 14.967 14.838 -0.564 1.00 0.00 O ATOM 0 H GLU A 110 14.501 12.787 3.893 1.00 0.00 H new ATOM 0 HA GLU A 110 12.338 14.338 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.807 15.306 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.279 15.008 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.322 12.728 1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.198 13.517 0.566 1.00 0.00 H new ATOM 1668 N ASP A 111 11.598 11.960 2.131 1.00 0.00 N ATOM 1669 CA ASP A 111 10.494 11.291 1.452 1.00 0.00 C ATOM 1670 C ASP A 111 9.401 10.904 2.443 1.00 0.00 C ATOM 1671 O ASP A 111 8.248 11.311 2.301 1.00 0.00 O ATOM 1672 CB ASP A 111 10.999 10.047 0.718 1.00 0.00 C ATOM 1673 CG ASP A 111 9.939 9.433 -0.175 1.00 0.00 C ATOM 1674 OD1 ASP A 111 9.158 10.196 -0.781 1.00 0.00 O ATOM 1675 OD2 ASP A 111 9.890 8.188 -0.269 1.00 0.00 O ATOM 0 H ASP A 111 12.495 11.482 2.049 1.00 0.00 H new ATOM 0 HA ASP A 111 10.071 11.985 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.869 10.311 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 111 11.329 9.307 1.447 1.00 0.00 H new ATOM 1680 N ALA A 112 9.770 10.113 3.445 1.00 0.00 N ATOM 1681 CA ALA A 112 8.822 9.672 4.460 1.00 0.00 C ATOM 1682 C ALA A 112 7.893 10.808 4.874 1.00 0.00 C ATOM 1683 O ALA A 112 6.689 10.610 5.038 1.00 0.00 O ATOM 1684 CB ALA A 112 9.561 9.124 5.671 1.00 0.00 C ATOM 0 H ALA A 112 10.720 9.764 3.575 1.00 0.00 H new ATOM 0 HA ALA A 112 8.212 8.877 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.840 8.799 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 112 10.177 8.277 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.196 9.903 6.093 1.00 0.00 H new ATOM 1690 N ASP A 113 8.460 11.998 5.042 1.00 0.00 N ATOM 1691 CA ASP A 113 7.682 13.166 5.438 1.00 0.00 C ATOM 1692 C ASP A 113 6.551 13.427 4.448 1.00 0.00 C ATOM 1693 O ASP A 113 5.403 13.625 4.842 1.00 0.00 O ATOM 1694 CB ASP A 113 8.585 14.397 5.535 1.00 0.00 C ATOM 1695 CG ASP A 113 7.968 15.503 6.368 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.813 15.885 6.086 1.00 0.00 O ATOM 1697 OD2 ASP A 113 8.640 15.987 7.302 1.00 0.00 O ATOM 0 H ASP A 113 9.455 12.179 4.910 1.00 0.00 H new ATOM 0 HA ASP A 113 7.245 12.966 6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.542 14.109 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.791 14.773 4.533 1.00 0.00 H new ATOM 1702 N GLU A 114 6.885 13.425 3.161 1.00 0.00 N ATOM 1703 CA GLU A 114 5.897 13.663 2.115 1.00 0.00 C ATOM 1704 C GLU A 114 4.829 12.573 2.118 1.00 0.00 C ATOM 1705 O GLU A 114 3.645 12.847 2.320 1.00 0.00 O ATOM 1706 CB GLU A 114 6.576 13.724 0.746 1.00 0.00 C ATOM 1707 CG GLU A 114 5.637 14.118 -0.382 1.00 0.00 C ATOM 1708 CD GLU A 114 4.942 15.442 -0.126 1.00 0.00 C ATOM 1709 OE1 GLU A 114 4.091 15.498 0.786 1.00 0.00 O ATOM 1710 OE2 GLU A 114 5.249 16.421 -0.838 1.00 0.00 O ATOM 0 H GLU A 114 7.832 13.261 2.818 1.00 0.00 H new ATOM 0 HA GLU A 114 5.415 14.620 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.398 14.438 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.011 12.750 0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.200 14.181 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.887 13.338 -0.515 1.00 0.00 H new ATOM 1717 N LEU A 115 5.255 11.335 1.892 1.00 0.00 N ATOM 1718 CA LEU A 115 4.337 10.202 1.868 1.00 0.00 C ATOM 1719 C LEU A 115 3.251 10.358 2.927 1.00 0.00 C ATOM 1720 O LEU A 115 2.063 10.203 2.642 1.00 0.00 O ATOM 1721 CB LEU A 115 5.100 8.896 2.092 1.00 0.00 C ATOM 1722 CG LEU A 115 4.247 7.662 2.392 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.428 7.271 1.172 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.125 6.503 2.841 1.00 0.00 C ATOM 0 H LEU A 115 6.231 11.090 1.723 1.00 0.00 H new ATOM 0 HA LEU A 115 3.861 10.173 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.699 8.692 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.795 9.042 2.919 1.00 0.00 H new ATOM 0 HG LEU A 115 3.560 7.906 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.827 6.391 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.772 8.096 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.097 7.045 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.501 5.634 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.836 6.258 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.667 6.786 3.743 1.00 0.00 H new ATOM 1736 N HIS A 116 3.666 10.668 4.152 1.00 0.00 N ATOM 1737 CA HIS A 116 2.728 10.848 5.254 1.00 0.00 C ATOM 1738 C HIS A 116 1.707 11.933 4.927 1.00 0.00 C ATOM 1739 O HIS A 116 0.513 11.774 5.181 1.00 0.00 O ATOM 1740 CB HIS A 116 3.480 11.209 6.536 1.00 0.00 C ATOM 1741 CG HIS A 116 2.594 11.745 7.619 1.00 0.00 C ATOM 1742 ND1 HIS A 116 2.208 13.067 7.690 1.00 0.00 N ATOM 1743 CD2 HIS A 116 2.016 11.128 8.676 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.433 13.240 8.746 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.300 12.079 9.361 1.00 0.00 N ATOM 0 H HIS A 116 4.645 10.800 4.406 1.00 0.00 H new ATOM 0 HA HIS A 116 2.197 9.908 5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.997 10.324 6.906 1.00 0.00 H new ATOM 0 HB3 HIS A 116 4.244 11.950 6.303 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.102 10.083 8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.984 14.173 9.054 1.00 0.00 H new ATOM 0 HE2 HIS A 116 0.754 11.915 10.207 1.00 0.00 H new ATOM 1753 N LYS A 117 2.184 13.037 4.361 1.00 0.00 N ATOM 1754 CA LYS A 117 1.313 14.149 3.998 1.00 0.00 C ATOM 1755 C LYS A 117 0.142 13.667 3.148 1.00 0.00 C ATOM 1756 O LYS A 117 -1.018 13.808 3.538 1.00 0.00 O ATOM 1757 CB LYS A 117 2.104 15.215 3.237 1.00 0.00 C ATOM 1758 CG LYS A 117 3.282 15.772 4.019 1.00 0.00 C ATOM 1759 CD LYS A 117 2.866 16.941 4.896 1.00 0.00 C ATOM 1760 CE LYS A 117 4.075 17.707 5.413 1.00 0.00 C ATOM 1761 NZ LYS A 117 3.765 18.452 6.665 1.00 0.00 N ATOM 0 H LYS A 117 3.169 13.185 4.144 1.00 0.00 H new ATOM 0 HA LYS A 117 0.918 14.584 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.468 14.787 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.434 16.033 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.713 14.986 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.060 16.094 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.224 17.613 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.278 16.575 5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.894 17.012 5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.416 18.406 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.614 18.961 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.001 19.133 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.464 17.783 7.402 1.00 0.00 H new ATOM 1775 N ILE A 118 0.452 13.099 1.988 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.575 12.594 1.086 1.00 0.00 C ATOM 1777 C ILE A 118 -1.491 11.603 1.795 1.00 0.00 C ATOM 1778 O ILE A 118 -2.700 11.818 1.893 1.00 0.00 O ATOM 1779 CB ILE A 118 0.044 11.912 -0.148 1.00 0.00 C ATOM 1780 CG1 ILE A 118 0.803 12.934 -0.996 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -1.035 11.227 -0.972 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.262 13.067 -0.621 1.00 0.00 C ATOM 0 H ILE A 118 1.407 12.977 1.651 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.159 13.455 0.760 1.00 0.00 H new ATOM 0 HB ILE A 118 0.750 11.154 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.731 12.648 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 118 0.321 13.906 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.581 10.750 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.534 10.473 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.764 11.966 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.737 13.809 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.343 13.383 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.759 12.105 -0.748 1.00 0.00 H new ATOM 1794 N LEU A 119 -0.908 10.517 2.291 1.00 0.00 N ATOM 1795 CA LEU A 119 -1.671 9.492 2.994 1.00 0.00 C ATOM 1796 C LEU A 119 -2.741 10.122 3.881 1.00 0.00 C ATOM 1797 O LEU A 119 -3.879 9.653 3.929 1.00 0.00 O ATOM 1798 CB LEU A 119 -0.738 8.623 3.839 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.120 7.417 3.131 1.00 0.00 C ATOM 1800 CD1 LEU A 119 1.030 6.849 3.949 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.175 6.349 2.877 1.00 0.00 C ATOM 0 H LEU A 119 0.091 10.324 2.219 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.164 8.867 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.069 9.251 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.294 8.265 4.706 1.00 0.00 H new ATOM 0 HG LEU A 119 0.273 7.747 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.457 5.991 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.796 7.613 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.662 6.535 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.717 5.498 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.598 6.023 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.966 6.761 2.250 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.368 11.187 4.581 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.296 11.884 5.466 1.00 0.00 C ATOM 1815 C LEU A 120 -4.448 12.496 4.675 1.00 0.00 C ATOM 1816 O LEU A 120 -5.591 12.503 5.130 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.563 12.976 6.248 1.00 0.00 C ATOM 1818 CG LEU A 120 -1.948 12.548 7.581 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -3.029 12.071 8.539 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -0.907 11.460 7.364 1.00 0.00 C ATOM 0 H LEU A 120 -1.430 11.587 4.554 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.707 11.157 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.770 13.377 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.262 13.791 6.438 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.453 13.412 8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.573 11.771 9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.737 12.879 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.553 11.221 8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.480 11.168 8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.377 10.594 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.117 11.837 6.715 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.138 13.006 3.487 1.00 0.00 N ATOM 1833 CA GLU A 121 -5.148 13.618 2.632 1.00 0.00 C ATOM 1834 C GLU A 121 -5.979 12.553 1.923 1.00 0.00 C ATOM 1835 O GLU A 121 -7.155 12.761 1.626 1.00 0.00 O ATOM 1836 CB GLU A 121 -4.488 14.536 1.601 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.963 15.835 2.190 1.00 0.00 C ATOM 1838 CD GLU A 121 -3.591 16.849 1.127 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -4.289 16.909 0.093 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -2.602 17.584 1.329 1.00 0.00 O ATOM 0 H GLU A 121 -3.196 13.007 3.095 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.810 14.210 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.664 14.003 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.210 14.768 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -4.720 16.264 2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -3.089 15.623 2.806 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.357 11.409 1.652 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.037 10.310 0.978 1.00 0.00 C ATOM 1849 C LYS A 122 -6.923 9.539 1.952 1.00 0.00 C ATOM 1850 O LYS A 122 -7.413 8.455 1.637 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.015 9.363 0.344 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.062 10.053 -0.617 1.00 0.00 C ATOM 1853 CD LYS A 122 -4.767 10.475 -1.895 1.00 0.00 C ATOM 1854 CE LYS A 122 -5.316 11.890 -1.788 1.00 0.00 C ATOM 1855 NZ LYS A 122 -6.542 12.073 -2.612 1.00 0.00 N ATOM 0 H LYS A 122 -4.383 11.220 1.889 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.668 10.732 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.437 8.884 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.545 8.573 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.627 10.928 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.239 9.381 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.071 10.416 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.582 9.783 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.542 12.114 -0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.554 12.600 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.885 13.050 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.321 11.884 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.278 11.413 -2.290 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.126 10.107 3.136 1.00 0.00 N ATOM 1870 CA LYS A 123 -7.955 9.475 4.156 1.00 0.00 C ATOM 1871 C LYS A 123 -8.857 10.501 4.836 1.00 0.00 C ATOM 1872 O LYS A 123 -8.379 11.392 5.538 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.077 8.781 5.199 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.700 9.675 6.368 1.00 0.00 C ATOM 1875 CD LYS A 123 -5.693 8.999 7.284 1.00 0.00 C ATOM 1876 CE LYS A 123 -5.860 9.451 8.726 1.00 0.00 C ATOM 1877 NZ LYS A 123 -7.193 9.076 9.274 1.00 0.00 N ATOM 0 H LYS A 123 -6.728 11.004 3.413 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.584 8.731 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.602 7.904 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.167 8.425 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -6.282 10.609 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.595 9.931 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.814 7.917 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -4.682 9.226 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -5.077 9.005 9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.734 10.532 8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.731 9.937 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.714 8.517 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -7.067 8.512 10.138 1.00 0.00 H new ATOM 1891 N ASP A 124 -10.161 10.368 4.624 1.00 0.00 N ATOM 1892 CA ASP A 124 -11.130 11.282 5.218 1.00 0.00 C ATOM 1893 C ASP A 124 -10.907 12.707 4.724 1.00 0.00 C ATOM 1894 O ASP A 124 -11.109 13.670 5.463 1.00 0.00 O ATOM 1895 CB ASP A 124 -11.034 11.237 6.744 1.00 0.00 C ATOM 1896 CG ASP A 124 -12.254 11.834 7.418 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -13.362 11.715 6.854 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -12.102 12.419 8.511 1.00 0.00 O ATOM 0 H ASP A 124 -10.572 9.636 4.045 1.00 0.00 H new ATOM 0 HA ASP A 124 -12.127 10.964 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.913 10.203 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -10.144 11.778 7.065 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.488 12.834 3.468 1.00 0.00 N ATOM 1904 CA ALA A 125 -10.239 14.141 2.875 1.00 0.00 C ATOM 1905 C ALA A 125 -11.440 15.063 3.052 1.00 0.00 C ATOM 1906 O ALA A 125 -12.573 14.689 2.746 1.00 0.00 O ATOM 1907 CB ALA A 125 -9.897 13.994 1.399 1.00 0.00 C ATOM 0 H ALA A 125 -10.314 12.047 2.843 1.00 0.00 H new ATOM 0 HA ALA A 125 -9.391 14.591 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -9.713 14.978 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.004 13.379 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.729 13.520 0.878 1.00 0.00 H new