USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= 1.43 K(o=1.3,f=-9.1!) USER MOD Set 1.2: A 81 THR OG1 : rot 12:sc= -0.141 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.7!) USER MOD Single : A 19 TYR OH : rot 150:sc= -1.08 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0269 K(o=-0.027,f=-2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.264 F(o=-0.79,f=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0383) USER MOD Single : A 41 SER OG : rot -87:sc= 1.02 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.17 F(o=-1.7,f=-1.2) USER MOD Single : A 51 ASN : amide:sc= -0.661 X(o=-0.66,f=-0.66) USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= -0.0559 (180deg=-0.381) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.04 F(o=-3!,f=-1) USER MOD Single : A 73 MET CE :methyl -148:sc= -0.237 (180deg=-1.08) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.103) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.929 -5.436 -8.945 1.00 0.00 N ATOM 60 CA GLY A 7 -6.837 -4.810 -8.224 1.00 0.00 C ATOM 61 C GLY A 7 -6.442 -3.472 -8.817 1.00 0.00 C ATOM 62 O GLY A 7 -5.882 -3.412 -9.912 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.126 -4.671 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.974 -5.475 -8.229 1.00 0.00 H new ATOM 66 N ARG A 8 -6.735 -2.396 -8.094 1.00 0.00 N ATOM 67 CA ARG A 8 -6.409 -1.053 -8.557 1.00 0.00 C ATOM 68 C ARG A 8 -4.943 -0.725 -8.286 1.00 0.00 C ATOM 69 O ARG A 8 -4.273 -1.416 -7.519 1.00 0.00 O ATOM 70 CB ARG A 8 -7.308 -0.022 -7.872 1.00 0.00 C ATOM 71 CG ARG A 8 -7.058 0.108 -6.379 1.00 0.00 C ATOM 72 CD ARG A 8 -8.062 1.044 -5.725 1.00 0.00 C ATOM 73 NE ARG A 8 -9.440 0.628 -5.973 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.127 0.969 -7.058 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.566 1.726 -7.991 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.377 0.551 -7.212 1.00 0.00 N ATOM 0 H ARG A 8 -7.197 -2.428 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.579 -1.016 -9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.157 0.949 -8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.350 -0.296 -8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.118 -0.875 -5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.048 0.480 -6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.881 1.076 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.915 2.055 -6.104 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.900 0.044 -5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.605 2.048 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.096 1.986 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.811 -0.033 -6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.903 0.813 -8.045 1.00 0.00 H new ATOM 90 N VAL A 9 -4.452 0.335 -8.922 1.00 0.00 N ATOM 91 CA VAL A 9 -3.067 0.755 -8.749 1.00 0.00 C ATOM 92 C VAL A 9 -2.985 2.092 -8.021 1.00 0.00 C ATOM 93 O VAL A 9 -3.745 3.016 -8.309 1.00 0.00 O ATOM 94 CB VAL A 9 -2.344 0.875 -10.104 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.914 1.356 -9.906 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.371 -0.455 -10.842 1.00 0.00 C ATOM 0 H VAL A 9 -4.993 0.918 -9.561 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.576 -0.012 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.869 1.612 -10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.419 1.435 -10.874 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.922 2.333 -9.422 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.375 0.646 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.856 -0.352 -11.797 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.872 -1.215 -10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.405 -0.753 -11.018 1.00 0.00 H new ATOM 106 N VAL A 10 -2.055 2.188 -7.075 1.00 0.00 N ATOM 107 CA VAL A 10 -1.872 3.413 -6.306 1.00 0.00 C ATOM 108 C VAL A 10 -0.459 3.961 -6.474 1.00 0.00 C ATOM 109 O VAL A 10 0.485 3.209 -6.716 1.00 0.00 O ATOM 110 CB VAL A 10 -2.147 3.182 -4.808 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.219 4.508 -4.067 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.429 2.386 -4.619 1.00 0.00 C ATOM 0 H VAL A 10 -1.418 1.433 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.588 4.139 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.322 2.605 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.414 4.324 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.272 5.037 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.023 5.115 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.608 2.232 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.265 2.935 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.334 1.420 -5.115 1.00 0.00 H new ATOM 122 N VAL A 11 -0.321 5.277 -6.342 1.00 0.00 N ATOM 123 CA VAL A 11 0.978 5.926 -6.477 1.00 0.00 C ATOM 124 C VAL A 11 1.137 7.052 -5.462 1.00 0.00 C ATOM 125 O VAL A 11 0.348 7.998 -5.440 1.00 0.00 O ATOM 126 CB VAL A 11 1.176 6.495 -7.894 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.507 7.223 -7.996 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.085 5.386 -8.931 1.00 0.00 C ATOM 0 H VAL A 11 -1.092 5.914 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 11 1.734 5.163 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 11 0.380 7.213 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.629 7.618 -9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.528 8.044 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.319 6.529 -7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.227 5.806 -9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.858 4.642 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.104 4.914 -8.873 1.00 0.00 H new ATOM 138 N ILE A 12 2.161 6.945 -4.623 1.00 0.00 N ATOM 139 CA ILE A 12 2.425 7.955 -3.606 1.00 0.00 C ATOM 140 C ILE A 12 3.864 8.454 -3.687 1.00 0.00 C ATOM 141 O ILE A 12 4.728 7.801 -4.272 1.00 0.00 O ATOM 142 CB ILE A 12 2.161 7.411 -2.190 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.770 6.779 -2.114 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.300 8.523 -1.160 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.613 5.800 -0.971 1.00 0.00 C ATOM 0 H ILE A 12 2.822 6.168 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 12 1.744 8.784 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 12 2.902 6.643 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.026 7.569 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.561 6.266 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.110 8.122 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.309 8.932 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.580 9.312 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.397 5.391 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.333 4.990 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.790 6.313 -0.026 1.00 0.00 H new ATOM 157 N LYS A 13 4.115 9.616 -3.094 1.00 0.00 N ATOM 158 CA LYS A 13 5.450 10.203 -3.095 1.00 0.00 C ATOM 159 C LYS A 13 5.735 10.908 -1.772 1.00 0.00 C ATOM 160 O LYS A 13 5.223 11.998 -1.514 1.00 0.00 O ATOM 161 CB LYS A 13 5.593 11.193 -4.253 1.00 0.00 C ATOM 162 CG LYS A 13 4.741 10.843 -5.461 1.00 0.00 C ATOM 163 CD LYS A 13 4.752 11.958 -6.493 1.00 0.00 C ATOM 164 CE LYS A 13 3.763 11.687 -7.617 1.00 0.00 C ATOM 165 NZ LYS A 13 3.861 12.705 -8.699 1.00 0.00 N ATOM 0 H LYS A 13 3.411 10.170 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 13 6.174 9.398 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.322 12.189 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.639 11.236 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.111 9.923 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.717 10.652 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.506 12.904 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.755 12.062 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.948 10.696 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.750 11.680 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.171 12.485 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.660 13.648 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.821 12.694 -9.100 1.00 0.00 H new ATOM 179 N LYS A 14 6.557 10.280 -0.938 1.00 0.00 N ATOM 180 CA LYS A 14 6.913 10.848 0.357 1.00 0.00 C ATOM 181 C LYS A 14 7.007 12.368 0.278 1.00 0.00 C ATOM 182 O LYS A 14 7.446 12.921 -0.730 1.00 0.00 O ATOM 183 CB LYS A 14 8.245 10.269 0.842 1.00 0.00 C ATOM 184 CG LYS A 14 8.387 10.254 2.354 1.00 0.00 C ATOM 185 CD LYS A 14 9.375 9.194 2.810 1.00 0.00 C ATOM 186 CE LYS A 14 10.784 9.498 2.324 1.00 0.00 C ATOM 187 NZ LYS A 14 11.451 10.529 3.167 1.00 0.00 N ATOM 0 H LYS A 14 6.989 9.377 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 14 6.129 10.587 1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.348 9.251 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.062 10.851 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.718 11.234 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.415 10.067 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.370 9.134 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.063 8.219 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.376 8.583 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.745 9.843 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.409 10.708 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.899 11.410 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.511 10.189 4.148 1.00 0.00 H new ATOM 201 N GLY A 15 6.592 13.039 1.348 1.00 0.00 N ATOM 202 CA GLY A 15 6.639 14.489 1.379 1.00 0.00 C ATOM 203 C GLY A 15 7.363 15.020 2.601 1.00 0.00 C ATOM 204 O GLY A 15 8.349 15.747 2.479 1.00 0.00 O ATOM 0 H GLY A 15 6.224 12.604 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.136 14.853 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.623 14.883 1.363 1.00 0.00 H new ATOM 208 N SER A 16 6.872 14.657 3.782 1.00 0.00 N ATOM 209 CA SER A 16 7.476 15.107 5.031 1.00 0.00 C ATOM 210 C SER A 16 7.826 13.920 5.923 1.00 0.00 C ATOM 211 O SER A 16 7.041 13.524 6.784 1.00 0.00 O ATOM 212 CB SER A 16 6.526 16.052 5.770 1.00 0.00 C ATOM 213 OG SER A 16 6.608 17.367 5.248 1.00 0.00 O ATOM 0 H SER A 16 6.058 14.053 3.900 1.00 0.00 H new ATOM 0 HA SER A 16 8.395 15.642 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.503 15.686 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.772 16.063 6.832 1.00 0.00 H new ATOM 0 HG SER A 16 5.991 17.952 5.735 1.00 0.00 H new ATOM 219 N ASN A 17 9.011 13.356 5.709 1.00 0.00 N ATOM 220 CA ASN A 17 9.466 12.214 6.493 1.00 0.00 C ATOM 221 C ASN A 17 8.301 11.289 6.834 1.00 0.00 C ATOM 222 O ASN A 17 8.158 10.848 7.974 1.00 0.00 O ATOM 223 CB ASN A 17 10.148 12.689 7.778 1.00 0.00 C ATOM 224 CG ASN A 17 10.992 11.605 8.420 1.00 0.00 C ATOM 225 OD1 ASN A 17 11.221 10.550 7.828 1.00 0.00 O ATOM 226 ND2 ASN A 17 11.458 11.861 9.636 1.00 0.00 N ATOM 0 H ASN A 17 9.673 13.671 5.000 1.00 0.00 H new ATOM 0 HA ASN A 17 10.185 11.657 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.777 13.551 7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.390 13.023 8.486 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.032 11.169 10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.243 12.750 10.088 1.00 0.00 H new ATOM 233 N GLY A 18 7.470 11.000 5.837 1.00 0.00 N ATOM 234 CA GLY A 18 6.329 10.130 6.052 1.00 0.00 C ATOM 235 C GLY A 18 5.405 10.078 4.851 1.00 0.00 C ATOM 236 O GLY A 18 5.025 11.115 4.307 1.00 0.00 O ATOM 0 H GLY A 18 7.567 11.353 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.681 9.124 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.770 10.477 6.922 1.00 0.00 H new ATOM 240 N TYR A 19 5.045 8.869 4.435 1.00 0.00 N ATOM 241 CA TYR A 19 4.163 8.687 3.288 1.00 0.00 C ATOM 242 C TYR A 19 2.730 9.078 3.635 1.00 0.00 C ATOM 243 O TYR A 19 2.103 9.870 2.933 1.00 0.00 O ATOM 244 CB TYR A 19 4.206 7.234 2.811 1.00 0.00 C ATOM 245 CG TYR A 19 5.406 6.915 1.948 1.00 0.00 C ATOM 246 CD1 TYR A 19 6.621 6.554 2.519 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.326 6.976 0.563 1.00 0.00 C ATOM 248 CE1 TYR A 19 7.720 6.263 1.735 1.00 0.00 C ATOM 249 CE2 TYR A 19 6.420 6.685 -0.229 1.00 0.00 C ATOM 250 CZ TYR A 19 7.614 6.329 0.361 1.00 0.00 C ATOM 251 OH TYR A 19 8.707 6.040 -0.424 1.00 0.00 O ATOM 0 H TYR A 19 5.350 8.001 4.875 1.00 0.00 H new ATOM 0 HA TYR A 19 4.513 9.337 2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.208 6.575 3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.297 7.018 2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.707 6.500 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.393 7.256 0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.657 5.985 2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.340 6.736 -1.305 1.00 0.00 H new ATOM 0 HH TYR A 19 8.406 5.668 -1.280 1.00 0.00 H new ATOM 261 N GLY A 20 2.217 8.515 4.726 1.00 0.00 N ATOM 262 CA GLY A 20 0.862 8.817 5.149 1.00 0.00 C ATOM 263 C GLY A 20 0.052 7.567 5.432 1.00 0.00 C ATOM 264 O GLY A 20 -0.872 7.589 6.245 1.00 0.00 O ATOM 0 H GLY A 20 2.716 7.856 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.894 9.437 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.365 9.401 4.375 1.00 0.00 H new ATOM 268 N PHE A 21 0.397 6.475 4.758 1.00 0.00 N ATOM 269 CA PHE A 21 -0.307 5.211 4.939 1.00 0.00 C ATOM 270 C PHE A 21 0.549 4.218 5.719 1.00 0.00 C ATOM 271 O PHE A 21 1.777 4.227 5.619 1.00 0.00 O ATOM 272 CB PHE A 21 -0.689 4.616 3.582 1.00 0.00 C ATOM 273 CG PHE A 21 0.460 3.957 2.872 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.405 4.716 2.202 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.593 2.578 2.875 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.463 4.113 1.548 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.650 1.969 2.224 1.00 0.00 C ATOM 278 CZ PHE A 21 2.585 2.737 1.558 1.00 0.00 C ATOM 0 H PHE A 21 1.160 6.440 4.082 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.214 5.409 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.485 3.885 3.726 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.093 5.406 2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.314 5.792 2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.137 1.972 3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.193 4.717 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.744 0.893 2.236 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.410 2.263 1.046 1.00 0.00 H new ATOM 288 N TYR A 22 -0.106 3.364 6.497 1.00 0.00 N ATOM 289 CA TYR A 22 0.594 2.367 7.297 1.00 0.00 C ATOM 290 C TYR A 22 0.236 0.955 6.845 1.00 0.00 C ATOM 291 O TYR A 22 -0.649 0.764 6.009 1.00 0.00 O ATOM 292 CB TYR A 22 0.255 2.541 8.779 1.00 0.00 C ATOM 293 CG TYR A 22 0.777 3.830 9.372 1.00 0.00 C ATOM 294 CD1 TYR A 22 0.049 5.009 9.269 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.998 3.869 10.034 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.522 6.190 9.809 1.00 0.00 C ATOM 297 CE2 TYR A 22 2.478 5.045 10.578 1.00 0.00 C ATOM 298 CZ TYR A 22 1.737 6.202 10.463 1.00 0.00 C ATOM 299 OH TYR A 22 2.213 7.376 11.002 1.00 0.00 O ATOM 0 H TYR A 22 -1.121 3.342 6.591 1.00 0.00 H new ATOM 0 HA TYR A 22 1.665 2.513 7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.827 2.506 8.902 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.666 1.701 9.338 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.903 5.002 8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.582 2.965 10.125 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.056 7.098 9.720 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.429 5.058 11.091 1.00 0.00 H new ATOM 0 HH TYR A 22 3.080 7.212 11.428 1.00 0.00 H new ATOM 309 N LEU A 23 0.928 -0.032 7.402 1.00 0.00 N ATOM 310 CA LEU A 23 0.684 -1.428 7.058 1.00 0.00 C ATOM 311 C LEU A 23 0.581 -2.289 8.313 1.00 0.00 C ATOM 312 O LEU A 23 1.173 -1.973 9.345 1.00 0.00 O ATOM 313 CB LEU A 23 1.800 -1.955 6.155 1.00 0.00 C ATOM 314 CG LEU A 23 1.877 -1.342 4.756 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.170 -1.748 4.066 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.673 -1.759 3.924 1.00 0.00 C ATOM 0 H LEU A 23 1.663 0.109 8.095 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.264 -1.483 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.754 -1.789 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.678 -3.033 6.051 1.00 0.00 H new ATOM 0 HG LEU A 23 1.867 -0.257 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.207 -1.303 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.020 -1.399 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.211 -2.834 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.745 -1.314 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.652 -2.845 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.241 -1.417 4.410 1.00 0.00 H new ATOM 328 N ARG A 24 -0.173 -3.379 8.217 1.00 0.00 N ATOM 329 CA ARG A 24 -0.352 -4.286 9.344 1.00 0.00 C ATOM 330 C ARG A 24 -0.604 -5.711 8.861 1.00 0.00 C ATOM 331 O ARG A 24 -1.292 -5.927 7.863 1.00 0.00 O ATOM 332 CB ARG A 24 -1.517 -3.821 10.221 1.00 0.00 C ATOM 333 CG ARG A 24 -1.460 -4.354 11.643 1.00 0.00 C ATOM 334 CD ARG A 24 -2.503 -3.691 12.529 1.00 0.00 C ATOM 335 NE ARG A 24 -2.056 -2.392 13.023 1.00 0.00 N ATOM 336 CZ ARG A 24 -2.683 -1.713 13.977 1.00 0.00 C ATOM 337 NH1 ARG A 24 -3.779 -2.207 14.536 1.00 0.00 N ATOM 338 NH2 ARG A 24 -2.215 -0.536 14.373 1.00 0.00 N ATOM 0 H ARG A 24 -0.670 -3.655 7.370 1.00 0.00 H new ATOM 0 HA ARG A 24 0.565 -4.277 9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.526 -2.731 10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.454 -4.135 9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.620 -5.432 11.635 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.467 -4.182 12.058 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.429 -3.566 11.968 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.728 -4.342 13.374 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.216 -1.983 12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.143 -3.111 14.234 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.258 -1.683 15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.373 -0.152 13.945 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.697 -0.016 15.106 1.00 0.00 H new ATOM 352 N ALA A 25 -0.041 -6.681 9.575 1.00 0.00 N ATOM 353 CA ALA A 25 -0.206 -8.085 9.219 1.00 0.00 C ATOM 354 C ALA A 25 -1.674 -8.495 9.268 1.00 0.00 C ATOM 355 O ALA A 25 -2.222 -8.750 10.340 1.00 0.00 O ATOM 356 CB ALA A 25 0.621 -8.964 10.146 1.00 0.00 C ATOM 0 H ALA A 25 0.533 -6.520 10.403 1.00 0.00 H new ATOM 0 HA ALA A 25 0.147 -8.220 8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.489 -10.010 9.869 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.674 -8.696 10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.293 -8.817 11.175 1.00 0.00 H new ATOM 362 N GLY A 26 -2.305 -8.557 8.100 1.00 0.00 N ATOM 363 CA GLY A 26 -3.704 -8.936 8.032 1.00 0.00 C ATOM 364 C GLY A 26 -3.924 -10.402 8.348 1.00 0.00 C ATOM 365 O GLY A 26 -3.006 -11.116 8.754 1.00 0.00 O ATOM 0 H GLY A 26 -1.872 -8.352 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.277 -8.327 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.087 -8.721 7.034 1.00 0.00 H new ATOM 369 N PRO A 27 -5.166 -10.872 8.161 1.00 0.00 N ATOM 370 CA PRO A 27 -5.533 -12.267 8.424 1.00 0.00 C ATOM 371 C PRO A 27 -4.912 -13.229 7.417 1.00 0.00 C ATOM 372 O PRO A 27 -4.059 -12.841 6.620 1.00 0.00 O ATOM 373 CB PRO A 27 -7.058 -12.264 8.292 1.00 0.00 C ATOM 374 CG PRO A 27 -7.357 -11.116 7.391 1.00 0.00 C ATOM 375 CD PRO A 27 -6.309 -10.078 7.679 1.00 0.00 C ATOM 0 HA PRO A 27 -5.177 -12.606 9.397 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.421 -13.202 7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.539 -12.142 9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.325 -11.422 6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.356 -10.723 7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.054 -9.507 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.647 -9.363 8.429 1.00 0.00 H new ATOM 383 N GLU A 28 -5.347 -14.484 7.459 1.00 0.00 N ATOM 384 CA GLU A 28 -4.833 -15.501 6.549 1.00 0.00 C ATOM 385 C GLU A 28 -4.708 -14.950 5.131 1.00 0.00 C ATOM 386 O GLU A 28 -3.800 -15.321 4.388 1.00 0.00 O ATOM 387 CB GLU A 28 -5.747 -16.729 6.551 1.00 0.00 C ATOM 388 CG GLU A 28 -7.189 -16.415 6.189 1.00 0.00 C ATOM 389 CD GLU A 28 -8.165 -17.432 6.748 1.00 0.00 C ATOM 390 OE1 GLU A 28 -8.503 -17.332 7.946 1.00 0.00 O ATOM 391 OE2 GLU A 28 -8.591 -18.326 5.988 1.00 0.00 O ATOM 0 H GLU A 28 -6.054 -14.821 8.113 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.842 -15.794 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.356 -17.464 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.721 -17.189 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.447 -15.425 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.288 -16.380 5.104 1.00 0.00 H new ATOM 398 N GLN A 29 -5.628 -14.062 4.765 1.00 0.00 N ATOM 399 CA GLN A 29 -5.621 -13.461 3.436 1.00 0.00 C ATOM 400 C GLN A 29 -4.242 -12.906 3.097 1.00 0.00 C ATOM 401 O GLN A 29 -3.571 -12.318 3.945 1.00 0.00 O ATOM 402 CB GLN A 29 -6.666 -12.347 3.353 1.00 0.00 C ATOM 403 CG GLN A 29 -7.216 -12.133 1.952 1.00 0.00 C ATOM 404 CD GLN A 29 -8.247 -13.176 1.564 1.00 0.00 C ATOM 405 OE1 GLN A 29 -8.326 -14.243 2.172 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.043 -12.871 0.545 1.00 0.00 N ATOM 0 H GLN A 29 -6.386 -13.744 5.369 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.868 -14.237 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.490 -12.582 4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.222 -11.416 3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.666 -11.142 1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.395 -12.156 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.942 -11.974 0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.755 -13.534 0.238 1.00 0.00 H new ATOM 415 N LYS A 30 -3.823 -13.097 1.850 1.00 0.00 N ATOM 416 CA LYS A 30 -2.523 -12.615 1.397 1.00 0.00 C ATOM 417 C LYS A 30 -2.540 -11.102 1.209 1.00 0.00 C ATOM 418 O LYS A 30 -3.457 -10.552 0.601 1.00 0.00 O ATOM 419 CB LYS A 30 -2.133 -13.299 0.085 1.00 0.00 C ATOM 420 CG LYS A 30 -2.350 -14.802 0.094 1.00 0.00 C ATOM 421 CD LYS A 30 -1.231 -15.523 0.826 1.00 0.00 C ATOM 422 CE LYS A 30 -1.433 -15.481 2.333 1.00 0.00 C ATOM 423 NZ LYS A 30 -0.850 -16.676 3.004 1.00 0.00 N ATOM 0 H LYS A 30 -4.365 -13.582 1.135 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.785 -12.860 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.712 -12.862 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.083 -13.093 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.304 -15.030 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.410 -15.168 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.186 -16.560 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.275 -15.065 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.974 -14.578 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.499 -15.423 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.008 -16.610 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.306 -17.536 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.172 -16.717 2.813 1.00 0.00 H new ATOM 437 N GLY A 31 -1.517 -10.434 1.734 1.00 0.00 N ATOM 438 CA GLY A 31 -1.433 -8.990 1.612 1.00 0.00 C ATOM 439 C GLY A 31 -1.546 -8.287 2.950 1.00 0.00 C ATOM 440 O GLY A 31 -2.034 -8.865 3.921 1.00 0.00 O ATOM 0 H GLY A 31 -0.745 -10.867 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.486 -8.723 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.226 -8.638 0.952 1.00 0.00 H new ATOM 444 N GLN A 32 -1.094 -7.039 3.001 1.00 0.00 N ATOM 445 CA GLN A 32 -1.145 -6.258 4.232 1.00 0.00 C ATOM 446 C GLN A 32 -2.328 -5.296 4.217 1.00 0.00 C ATOM 447 O GLN A 32 -2.796 -4.888 3.153 1.00 0.00 O ATOM 448 CB GLN A 32 0.158 -5.480 4.421 1.00 0.00 C ATOM 449 CG GLN A 32 1.405 -6.337 4.275 1.00 0.00 C ATOM 450 CD GLN A 32 1.519 -7.391 5.359 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.944 -6.976 6.547 1.00 0.00 O flip ATOM 452 NE2 GLN A 32 1.228 -8.566 5.131 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.688 -6.547 2.205 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.272 -6.948 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.197 -4.670 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.157 -5.020 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.395 -6.824 3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.287 -5.697 4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.905 -8.841 4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.310 -9.264 5.870 1.00 0.00 H new ATOM 461 N ILE A 33 -2.808 -4.938 5.403 1.00 0.00 N ATOM 462 CA ILE A 33 -3.936 -4.023 5.526 1.00 0.00 C ATOM 463 C ILE A 33 -3.467 -2.617 5.885 1.00 0.00 C ATOM 464 O ILE A 33 -2.618 -2.440 6.759 1.00 0.00 O ATOM 465 CB ILE A 33 -4.939 -4.505 6.591 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.321 -5.965 6.338 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.177 -3.621 6.592 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.422 -6.467 7.246 1.00 0.00 C ATOM 0 H ILE A 33 -2.433 -5.268 6.293 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.432 -4.001 4.555 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.467 -4.436 7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.638 -6.075 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.439 -6.591 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.876 -3.975 7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.890 -2.593 6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.653 -3.661 5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.641 -7.508 7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.101 -6.389 8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.319 -5.865 7.098 1.00 0.00 H new ATOM 480 N ILE A 34 -4.028 -1.621 5.207 1.00 0.00 N ATOM 481 CA ILE A 34 -3.669 -0.231 5.457 1.00 0.00 C ATOM 482 C ILE A 34 -4.581 0.391 6.509 1.00 0.00 C ATOM 483 O ILE A 34 -5.748 0.020 6.634 1.00 0.00 O ATOM 484 CB ILE A 34 -3.742 0.610 4.169 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.716 0.112 3.149 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.514 2.081 4.482 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.831 0.782 1.798 1.00 0.00 C ATOM 0 H ILE A 34 -4.732 -1.751 4.481 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.642 -0.231 5.823 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.737 0.501 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.714 0.278 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.834 -0.964 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.569 2.662 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.279 2.428 5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.530 2.209 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.073 0.379 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.821 0.594 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.683 1.856 1.911 1.00 0.00 H new ATOM 499 N LYS A 35 -4.041 1.342 7.264 1.00 0.00 N ATOM 500 CA LYS A 35 -4.805 2.020 8.305 1.00 0.00 C ATOM 501 C LYS A 35 -4.021 3.198 8.875 1.00 0.00 C ATOM 502 O LYS A 35 -2.833 3.358 8.597 1.00 0.00 O ATOM 503 CB LYS A 35 -5.161 1.040 9.425 1.00 0.00 C ATOM 504 CG LYS A 35 -3.962 0.291 9.982 1.00 0.00 C ATOM 505 CD LYS A 35 -4.390 -0.858 10.879 1.00 0.00 C ATOM 506 CE LYS A 35 -4.893 -2.042 10.067 1.00 0.00 C ATOM 507 NZ LYS A 35 -5.907 -2.837 10.814 1.00 0.00 N ATOM 0 H LYS A 35 -3.076 1.661 7.174 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.724 2.400 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.645 1.587 10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.886 0.319 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.358 -0.093 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.332 0.979 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.549 -1.171 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.175 -0.520 11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.328 -1.684 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.053 -2.683 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.137 -3.698 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.525 -3.100 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.768 -2.269 10.942 1.00 0.00 H new ATOM 521 N ASP A 36 -4.694 4.018 9.675 1.00 0.00 N ATOM 522 CA ASP A 36 -4.060 5.180 10.287 1.00 0.00 C ATOM 523 C ASP A 36 -3.637 6.190 9.225 1.00 0.00 C ATOM 524 O ASP A 36 -2.580 6.813 9.334 1.00 0.00 O ATOM 525 CB ASP A 36 -2.846 4.749 11.112 1.00 0.00 C ATOM 526 CG ASP A 36 -3.178 3.647 12.099 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.326 3.614 12.589 1.00 0.00 O ATOM 528 OD2 ASP A 36 -2.290 2.815 12.379 1.00 0.00 O ATOM 0 H ASP A 36 -5.678 3.900 9.915 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.787 5.656 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.058 4.407 10.441 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.453 5.610 11.652 1.00 0.00 H new ATOM 533 N ILE A 37 -4.467 6.345 8.200 1.00 0.00 N ATOM 534 CA ILE A 37 -4.178 7.280 7.119 1.00 0.00 C ATOM 535 C ILE A 37 -4.168 8.719 7.624 1.00 0.00 C ATOM 536 O ILE A 37 -5.021 9.113 8.418 1.00 0.00 O ATOM 537 CB ILE A 37 -5.205 7.155 5.978 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.087 5.787 5.304 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.007 8.271 4.963 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.207 5.495 4.329 1.00 0.00 C ATOM 0 H ILE A 37 -5.345 5.836 8.095 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.189 7.025 6.737 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.206 7.246 6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.134 5.731 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.073 5.013 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.740 8.169 4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.137 9.236 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.002 8.208 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.059 4.509 3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.162 5.518 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.208 6.248 3.540 1.00 0.00 H new ATOM 552 N GLU A 38 -3.198 9.498 7.156 1.00 0.00 N ATOM 553 CA GLU A 38 -3.078 10.894 7.559 1.00 0.00 C ATOM 554 C GLU A 38 -3.767 11.812 6.554 1.00 0.00 C ATOM 555 O GLU A 38 -3.745 11.578 5.345 1.00 0.00 O ATOM 556 CB GLU A 38 -1.605 11.283 7.697 1.00 0.00 C ATOM 557 CG GLU A 38 -0.976 10.830 9.004 1.00 0.00 C ATOM 558 CD GLU A 38 0.400 11.428 9.227 1.00 0.00 C ATOM 559 OE1 GLU A 38 1.332 11.065 8.478 1.00 0.00 O ATOM 560 OE2 GLU A 38 0.545 12.258 10.148 1.00 0.00 O ATOM 0 H GLU A 38 -2.484 9.186 6.498 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.569 11.010 8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.045 10.854 6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.515 12.366 7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.628 11.108 9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.901 9.743 9.009 1.00 0.00 H new ATOM 567 N PRO A 39 -4.393 12.883 7.063 1.00 0.00 N ATOM 568 CA PRO A 39 -5.100 13.859 6.228 1.00 0.00 C ATOM 569 C PRO A 39 -4.146 14.696 5.382 1.00 0.00 C ATOM 570 O PRO A 39 -3.067 15.073 5.836 1.00 0.00 O ATOM 571 CB PRO A 39 -5.824 14.740 7.248 1.00 0.00 C ATOM 572 CG PRO A 39 -5.016 14.621 8.494 1.00 0.00 C ATOM 573 CD PRO A 39 -4.459 13.225 8.494 1.00 0.00 C ATOM 0 HA PRO A 39 -5.766 13.377 5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.879 15.775 6.909 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.848 14.402 7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.216 15.361 8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.631 14.796 9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.476 13.185 8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.102 12.536 9.042 1.00 0.00 H new ATOM 581 N GLY A 40 -4.553 14.984 4.150 1.00 0.00 N ATOM 582 CA GLY A 40 -3.723 15.776 3.260 1.00 0.00 C ATOM 583 C GLY A 40 -2.373 15.136 3.005 1.00 0.00 C ATOM 584 O GLY A 40 -1.480 15.762 2.434 1.00 0.00 O ATOM 0 H GLY A 40 -5.443 14.683 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.241 15.914 2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.577 16.767 3.690 1.00 0.00 H new ATOM 588 N SER A 41 -2.222 13.886 3.431 1.00 0.00 N ATOM 589 CA SER A 41 -0.969 13.163 3.250 1.00 0.00 C ATOM 590 C SER A 41 -0.909 12.516 1.870 1.00 0.00 C ATOM 591 O SER A 41 -1.931 12.208 1.256 1.00 0.00 O ATOM 592 CB SER A 41 -0.811 12.095 4.334 1.00 0.00 C ATOM 593 OG SER A 41 -1.500 10.908 3.985 1.00 0.00 O ATOM 0 H SER A 41 -2.952 13.353 3.904 1.00 0.00 H new ATOM 0 HA SER A 41 -0.151 13.878 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.246 11.875 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.192 12.475 5.282 1.00 0.00 H new ATOM 0 HG SER A 41 -2.429 10.967 4.292 1.00 0.00 H new ATOM 599 N PRO A 42 0.317 12.303 1.369 1.00 0.00 N ATOM 600 CA PRO A 42 0.541 11.690 0.057 1.00 0.00 C ATOM 601 C PRO A 42 -0.285 10.424 -0.140 1.00 0.00 C ATOM 602 O PRO A 42 -0.634 10.067 -1.265 1.00 0.00 O ATOM 603 CB PRO A 42 2.035 11.357 0.071 1.00 0.00 C ATOM 604 CG PRO A 42 2.631 12.331 1.028 1.00 0.00 C ATOM 605 CD PRO A 42 1.579 12.645 2.047 1.00 0.00 C ATOM 0 HA PRO A 42 0.246 12.351 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.209 10.330 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.473 11.459 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.516 11.910 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.948 13.236 0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.716 12.059 2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.605 13.695 2.337 1.00 0.00 H new ATOM 613 N ALA A 43 -0.596 9.748 0.961 1.00 0.00 N ATOM 614 CA ALA A 43 -1.384 8.523 0.910 1.00 0.00 C ATOM 615 C ALA A 43 -2.856 8.828 0.655 1.00 0.00 C ATOM 616 O ALA A 43 -3.497 8.185 -0.176 1.00 0.00 O ATOM 617 CB ALA A 43 -1.221 7.736 2.201 1.00 0.00 C ATOM 0 H ALA A 43 -0.314 10.029 1.900 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.017 7.918 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.815 6.824 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.171 7.478 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.560 8.342 3.042 1.00 0.00 H new ATOM 623 N GLU A 44 -3.386 9.811 1.376 1.00 0.00 N ATOM 624 CA GLU A 44 -4.784 10.198 1.228 1.00 0.00 C ATOM 625 C GLU A 44 -5.019 10.885 -0.114 1.00 0.00 C ATOM 626 O GLU A 44 -6.071 10.720 -0.732 1.00 0.00 O ATOM 627 CB GLU A 44 -5.202 11.128 2.369 1.00 0.00 C ATOM 628 CG GLU A 44 -6.693 11.417 2.404 1.00 0.00 C ATOM 629 CD GLU A 44 -7.491 10.293 3.036 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.386 9.147 2.551 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.219 10.559 4.014 1.00 0.00 O ATOM 0 H GLU A 44 -2.869 10.353 2.068 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.391 9.293 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.905 10.681 3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.660 12.069 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.868 12.338 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.051 11.585 1.388 1.00 0.00 H new ATOM 638 N ALA A 45 -4.032 11.656 -0.559 1.00 0.00 N ATOM 639 CA ALA A 45 -4.130 12.366 -1.828 1.00 0.00 C ATOM 640 C ALA A 45 -3.961 11.412 -3.006 1.00 0.00 C ATOM 641 O ALA A 45 -4.477 11.659 -4.095 1.00 0.00 O ATOM 642 CB ALA A 45 -3.093 13.477 -1.892 1.00 0.00 C ATOM 0 H ALA A 45 -3.155 11.805 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.124 12.808 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.177 13.999 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.263 14.180 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.095 13.049 -1.800 1.00 0.00 H new ATOM 648 N ALA A 46 -3.233 10.323 -2.779 1.00 0.00 N ATOM 649 CA ALA A 46 -2.997 9.332 -3.821 1.00 0.00 C ATOM 650 C ALA A 46 -4.289 8.618 -4.203 1.00 0.00 C ATOM 651 O ALA A 46 -4.438 8.140 -5.327 1.00 0.00 O ATOM 652 CB ALA A 46 -1.950 8.327 -3.366 1.00 0.00 C ATOM 0 H ALA A 46 -2.797 10.105 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.626 9.851 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.784 7.593 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.016 8.846 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.299 7.821 -2.466 1.00 0.00 H new ATOM 658 N GLY A 47 -5.222 8.548 -3.258 1.00 0.00 N ATOM 659 CA GLY A 47 -6.490 7.889 -3.515 1.00 0.00 C ATOM 660 C GLY A 47 -6.667 6.631 -2.687 1.00 0.00 C ATOM 661 O GLY A 47 -7.665 5.923 -2.827 1.00 0.00 O ATOM 0 H GLY A 47 -5.123 8.936 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.305 8.580 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.557 7.636 -4.573 1.00 0.00 H new ATOM 665 N LEU A 48 -5.698 6.352 -1.823 1.00 0.00 N ATOM 666 CA LEU A 48 -5.751 5.170 -0.970 1.00 0.00 C ATOM 667 C LEU A 48 -7.089 5.081 -0.244 1.00 0.00 C ATOM 668 O LEU A 48 -7.950 5.948 -0.398 1.00 0.00 O ATOM 669 CB LEU A 48 -4.607 5.199 0.046 1.00 0.00 C ATOM 670 CG LEU A 48 -3.296 4.552 -0.400 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.347 4.401 0.778 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.561 3.202 -1.050 1.00 0.00 C ATOM 0 H LEU A 48 -4.866 6.928 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.644 4.290 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.406 6.238 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.943 4.702 0.956 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.826 5.202 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.419 3.939 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.131 5.383 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.809 3.773 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.616 2.756 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.054 2.544 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.203 3.337 -1.921 1.00 0.00 H new ATOM 684 N LYS A 49 -7.258 4.029 0.549 1.00 0.00 N ATOM 685 CA LYS A 49 -8.489 3.827 1.303 1.00 0.00 C ATOM 686 C LYS A 49 -8.254 2.904 2.494 1.00 0.00 C ATOM 687 O LYS A 49 -7.647 1.843 2.358 1.00 0.00 O ATOM 688 CB LYS A 49 -9.576 3.242 0.397 1.00 0.00 C ATOM 689 CG LYS A 49 -10.203 4.263 -0.537 1.00 0.00 C ATOM 690 CD LYS A 49 -11.568 3.806 -1.025 1.00 0.00 C ATOM 691 CE LYS A 49 -12.196 4.829 -1.959 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.987 5.848 -1.213 1.00 0.00 N ATOM 0 H LYS A 49 -6.556 3.302 0.686 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.819 4.796 1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.147 2.434 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.357 2.802 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.301 5.218 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.546 4.428 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.470 2.851 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.224 3.640 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.414 5.325 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.842 4.320 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.399 6.527 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.749 5.377 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.365 6.352 -0.548 1.00 0.00 H new ATOM 706 N ASN A 50 -8.740 3.314 3.660 1.00 0.00 N ATOM 707 CA ASN A 50 -8.583 2.523 4.875 1.00 0.00 C ATOM 708 C ASN A 50 -9.047 1.086 4.652 1.00 0.00 C ATOM 709 O ASN A 50 -10.024 0.842 3.946 1.00 0.00 O ATOM 710 CB ASN A 50 -9.373 3.152 6.025 1.00 0.00 C ATOM 711 CG ASN A 50 -8.794 4.484 6.462 1.00 0.00 C ATOM 712 OD1 ASN A 50 -7.629 4.443 7.097 1.00 0.00 O flip ATOM 713 ND2 ASN A 50 -9.388 5.538 6.230 1.00 0.00 N flip ATOM 0 H ASN A 50 -9.246 4.190 3.790 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.525 2.509 5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.409 3.293 5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.383 2.467 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.282 5.522 5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.986 6.426 6.529 1.00 0.00 H new ATOM 720 N ASN A 51 -8.339 0.140 5.260 1.00 0.00 N ATOM 721 CA ASN A 51 -8.677 -1.272 5.128 1.00 0.00 C ATOM 722 C ASN A 51 -8.307 -1.793 3.743 1.00 0.00 C ATOM 723 O ASN A 51 -8.939 -2.714 3.226 1.00 0.00 O ATOM 724 CB ASN A 51 -10.171 -1.486 5.383 1.00 0.00 C ATOM 725 CG ASN A 51 -10.698 -0.609 6.503 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.146 -0.589 7.603 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.771 0.123 6.226 1.00 0.00 N ATOM 0 H ASN A 51 -7.527 0.326 5.849 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.105 -1.828 5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.727 -1.276 4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.348 -2.533 5.631 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.170 0.733 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.196 0.075 5.300 1.00 0.00 H new ATOM 734 N ASP A 52 -7.278 -1.198 3.149 1.00 0.00 N ATOM 735 CA ASP A 52 -6.822 -1.603 1.824 1.00 0.00 C ATOM 736 C ASP A 52 -5.868 -2.790 1.918 1.00 0.00 C ATOM 737 O ASP A 52 -4.884 -2.753 2.657 1.00 0.00 O ATOM 738 CB ASP A 52 -6.133 -0.433 1.120 1.00 0.00 C ATOM 739 CG ASP A 52 -7.101 0.408 0.312 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.282 0.015 0.204 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.679 1.461 -0.210 1.00 0.00 O ATOM 0 H ASP A 52 -6.744 -0.434 3.564 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.693 -1.905 1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.642 0.196 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.353 -0.817 0.462 1.00 0.00 H new ATOM 746 N LEU A 53 -6.167 -3.842 1.164 1.00 0.00 N ATOM 747 CA LEU A 53 -5.337 -5.042 1.162 1.00 0.00 C ATOM 748 C LEU A 53 -4.338 -5.011 0.010 1.00 0.00 C ATOM 749 O LEU A 53 -4.719 -5.097 -1.158 1.00 0.00 O ATOM 750 CB LEU A 53 -6.213 -6.292 1.059 1.00 0.00 C ATOM 751 CG LEU A 53 -5.491 -7.632 1.208 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.195 -7.918 2.672 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.319 -8.754 0.600 1.00 0.00 C ATOM 0 H LEU A 53 -6.977 -3.889 0.546 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.782 -5.071 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.988 -6.232 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.717 -6.279 0.093 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.544 -7.575 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.681 -8.875 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.562 -7.128 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.130 -7.956 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.790 -9.700 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.282 -8.812 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.480 -8.555 -0.460 1.00 0.00 H new ATOM 765 N VAL A 54 -3.058 -4.890 0.346 1.00 0.00 N ATOM 766 CA VAL A 54 -2.003 -4.852 -0.660 1.00 0.00 C ATOM 767 C VAL A 54 -1.422 -6.240 -0.900 1.00 0.00 C ATOM 768 O VAL A 54 -0.978 -6.909 0.033 1.00 0.00 O ATOM 769 CB VAL A 54 -0.868 -3.896 -0.247 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.228 -3.882 -1.301 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.411 -2.495 -0.012 1.00 0.00 C ATOM 0 H VAL A 54 -2.726 -4.817 1.308 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.457 -4.488 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.436 -4.255 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.021 -3.201 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.636 -4.886 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.186 -3.548 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.596 -1.833 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.870 -2.124 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.157 -2.522 0.782 1.00 0.00 H new ATOM 781 N VAL A 55 -1.427 -6.668 -2.159 1.00 0.00 N ATOM 782 CA VAL A 55 -0.899 -7.978 -2.523 1.00 0.00 C ATOM 783 C VAL A 55 0.437 -7.849 -3.247 1.00 0.00 C ATOM 784 O VAL A 55 1.239 -8.782 -3.262 1.00 0.00 O ATOM 785 CB VAL A 55 -1.884 -8.751 -3.419 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.077 -9.235 -2.609 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.337 -7.884 -4.584 1.00 0.00 C ATOM 0 H VAL A 55 -1.791 -6.127 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.754 -8.531 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.372 -9.624 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.762 -9.779 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.732 -9.894 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.593 -8.379 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.033 -8.446 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.832 -6.991 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.471 -7.593 -5.179 1.00 0.00 H new ATOM 797 N ALA A 56 0.668 -6.686 -3.847 1.00 0.00 N ATOM 798 CA ALA A 56 1.908 -6.434 -4.572 1.00 0.00 C ATOM 799 C ALA A 56 2.336 -4.977 -4.437 1.00 0.00 C ATOM 800 O ALA A 56 1.499 -4.075 -4.395 1.00 0.00 O ATOM 801 CB ALA A 56 1.747 -6.805 -6.038 1.00 0.00 C ATOM 0 H ALA A 56 0.013 -5.904 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 56 2.688 -7.057 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.680 -6.612 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.496 -7.862 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.949 -6.207 -6.479 1.00 0.00 H new ATOM 807 N VAL A 57 3.644 -4.753 -4.369 1.00 0.00 N ATOM 808 CA VAL A 57 4.184 -3.404 -4.239 1.00 0.00 C ATOM 809 C VAL A 57 5.347 -3.183 -5.198 1.00 0.00 C ATOM 810 O VAL A 57 6.324 -3.931 -5.188 1.00 0.00 O ATOM 811 CB VAL A 57 4.658 -3.126 -2.800 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.209 -1.713 -2.683 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.523 -3.348 -1.812 1.00 0.00 C ATOM 0 H VAL A 57 4.350 -5.488 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 57 3.377 -2.714 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 57 5.460 -3.824 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.539 -1.535 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.053 -1.594 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.430 -0.996 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.876 -3.147 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.698 -2.676 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.180 -4.381 -1.878 1.00 0.00 H new ATOM 823 N ASN A 58 5.236 -2.149 -6.026 1.00 0.00 N ATOM 824 CA ASN A 58 6.280 -1.828 -6.993 1.00 0.00 C ATOM 825 C ASN A 58 6.488 -2.980 -7.971 1.00 0.00 C ATOM 826 O ASN A 58 7.604 -3.233 -8.422 1.00 0.00 O ATOM 827 CB ASN A 58 7.593 -1.514 -6.272 1.00 0.00 C ATOM 828 CG ASN A 58 7.684 -0.062 -5.844 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.860 0.765 -6.236 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.689 0.255 -5.036 1.00 0.00 N ATOM 0 H ASN A 58 4.434 -1.519 -6.047 1.00 0.00 H new ATOM 0 HA ASN A 58 5.962 -0.950 -7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.685 -2.155 -5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.430 -1.750 -6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.802 1.217 -4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.348 -0.463 -4.736 1.00 0.00 H new ATOM 837 N GLY A 59 5.402 -3.677 -8.296 1.00 0.00 N ATOM 838 CA GLY A 59 5.486 -4.793 -9.219 1.00 0.00 C ATOM 839 C GLY A 59 6.136 -6.013 -8.596 1.00 0.00 C ATOM 840 O GLY A 59 6.694 -6.856 -9.299 1.00 0.00 O ATOM 0 H GLY A 59 4.466 -3.488 -7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.484 -5.054 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.055 -4.491 -10.098 1.00 0.00 H new ATOM 844 N LYS A 60 6.066 -6.108 -7.273 1.00 0.00 N ATOM 845 CA LYS A 60 6.652 -7.233 -6.554 1.00 0.00 C ATOM 846 C LYS A 60 5.646 -7.842 -5.583 1.00 0.00 C ATOM 847 O LYS A 60 4.935 -7.124 -4.879 1.00 0.00 O ATOM 848 CB LYS A 60 7.902 -6.783 -5.794 1.00 0.00 C ATOM 849 CG LYS A 60 9.026 -6.309 -6.699 1.00 0.00 C ATOM 850 CD LYS A 60 9.787 -7.478 -7.302 1.00 0.00 C ATOM 851 CE LYS A 60 10.914 -7.939 -6.391 1.00 0.00 C ATOM 852 NZ LYS A 60 12.003 -6.928 -6.300 1.00 0.00 N ATOM 0 H LYS A 60 5.609 -5.419 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 60 6.931 -7.993 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.632 -5.977 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.263 -7.610 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.615 -5.690 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.712 -5.681 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.101 -8.306 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.196 -7.187 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.518 -8.137 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.321 -8.879 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.888 -7.396 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.132 -6.473 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.751 -6.209 -5.593 1.00 0.00 H new ATOM 866 N SER A 61 5.591 -9.170 -5.550 1.00 0.00 N ATOM 867 CA SER A 61 4.670 -9.875 -4.667 1.00 0.00 C ATOM 868 C SER A 61 5.098 -9.733 -3.210 1.00 0.00 C ATOM 869 O SER A 61 6.063 -10.359 -2.770 1.00 0.00 O ATOM 870 CB SER A 61 4.598 -11.355 -5.047 1.00 0.00 C ATOM 871 OG SER A 61 4.566 -11.519 -6.454 1.00 0.00 O ATOM 0 H SER A 61 6.174 -9.779 -6.125 1.00 0.00 H new ATOM 0 HA SER A 61 3.682 -9.429 -4.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.459 -11.882 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.709 -11.804 -4.605 1.00 0.00 H new ATOM 0 HG SER A 61 4.522 -12.474 -6.671 1.00 0.00 H new ATOM 877 N VAL A 62 4.373 -8.904 -2.465 1.00 0.00 N ATOM 878 CA VAL A 62 4.676 -8.679 -1.056 1.00 0.00 C ATOM 879 C VAL A 62 3.751 -9.493 -0.158 1.00 0.00 C ATOM 880 O VAL A 62 4.075 -9.768 0.996 1.00 0.00 O ATOM 881 CB VAL A 62 4.553 -7.189 -0.687 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.282 -6.324 -1.704 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.090 -6.786 -0.583 1.00 0.00 C ATOM 0 H VAL A 62 3.572 -8.377 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 62 5.705 -9.001 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 62 5.020 -7.034 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.184 -5.275 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.337 -6.597 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.848 -6.480 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.021 -5.730 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.597 -6.956 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.602 -7.383 0.187 1.00 0.00 H new ATOM 893 N GLU A 63 2.597 -9.875 -0.698 1.00 0.00 N ATOM 894 CA GLU A 63 1.624 -10.657 0.056 1.00 0.00 C ATOM 895 C GLU A 63 2.286 -11.869 0.706 1.00 0.00 C ATOM 896 O GLU A 63 1.759 -12.441 1.659 1.00 0.00 O ATOM 897 CB GLU A 63 0.486 -11.114 -0.858 1.00 0.00 C ATOM 898 CG GLU A 63 0.767 -12.425 -1.573 1.00 0.00 C ATOM 899 CD GLU A 63 -0.254 -12.732 -2.651 1.00 0.00 C ATOM 900 OE1 GLU A 63 -0.072 -12.260 -3.793 1.00 0.00 O ATOM 901 OE2 GLU A 63 -1.234 -13.446 -2.352 1.00 0.00 O ATOM 0 H GLU A 63 2.314 -9.656 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 63 1.217 -10.022 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.423 -11.221 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.294 -10.339 -1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.761 -12.385 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.777 -13.237 -0.845 1.00 0.00 H new ATOM 908 N ALA A 64 3.446 -12.254 0.182 1.00 0.00 N ATOM 909 CA ALA A 64 4.181 -13.396 0.711 1.00 0.00 C ATOM 910 C ALA A 64 5.061 -12.985 1.887 1.00 0.00 C ATOM 911 O ALA A 64 5.221 -13.738 2.849 1.00 0.00 O ATOM 912 CB ALA A 64 5.024 -14.034 -0.383 1.00 0.00 C ATOM 0 H ALA A 64 3.896 -11.792 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 64 3.457 -14.128 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.567 -14.886 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.376 -14.372 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.734 -13.302 -0.769 1.00 0.00 H new ATOM 918 N LEU A 65 5.630 -11.788 1.804 1.00 0.00 N ATOM 919 CA LEU A 65 6.495 -11.277 2.862 1.00 0.00 C ATOM 920 C LEU A 65 5.697 -10.999 4.132 1.00 0.00 C ATOM 921 O LEU A 65 4.479 -11.178 4.163 1.00 0.00 O ATOM 922 CB LEU A 65 7.200 -10.001 2.400 1.00 0.00 C ATOM 923 CG LEU A 65 8.494 -10.197 1.609 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.809 -8.960 0.784 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.647 -10.523 2.548 1.00 0.00 C ATOM 0 H LEU A 65 5.508 -11.153 1.015 1.00 0.00 H new ATOM 0 HA LEU A 65 7.243 -12.038 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.505 -9.428 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.423 -9.395 3.278 1.00 0.00 H new ATOM 0 HG LEU A 65 8.357 -11.036 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.733 -9.119 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.994 -8.771 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.926 -8.102 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.560 -10.659 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.784 -9.704 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.423 -11.439 3.094 1.00 0.00 H new ATOM 937 N ASP A 66 6.390 -10.559 5.176 1.00 0.00 N ATOM 938 CA ASP A 66 5.745 -10.252 6.447 1.00 0.00 C ATOM 939 C ASP A 66 5.720 -8.747 6.695 1.00 0.00 C ATOM 940 O ASP A 66 6.291 -7.971 5.928 1.00 0.00 O ATOM 941 CB ASP A 66 6.471 -10.958 7.594 1.00 0.00 C ATOM 942 CG ASP A 66 6.193 -12.448 7.625 1.00 0.00 C ATOM 943 OD1 ASP A 66 6.890 -13.196 6.908 1.00 0.00 O ATOM 944 OD2 ASP A 66 5.278 -12.866 8.365 1.00 0.00 O ATOM 0 H ASP A 66 7.399 -10.407 5.167 1.00 0.00 H new ATOM 0 HA ASP A 66 4.717 -10.611 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.544 -10.794 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.165 -10.514 8.542 1.00 0.00 H new ATOM 949 N HIS A 67 5.053 -8.341 7.771 1.00 0.00 N ATOM 950 CA HIS A 67 4.952 -6.928 8.119 1.00 0.00 C ATOM 951 C HIS A 67 6.231 -6.184 7.745 1.00 0.00 C ATOM 952 O HIS A 67 6.212 -5.279 6.910 1.00 0.00 O ATOM 953 CB HIS A 67 4.674 -6.768 9.614 1.00 0.00 C ATOM 954 CG HIS A 67 4.820 -5.360 10.103 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.879 -4.518 10.075 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.796 -4.664 10.710 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.480 -3.341 10.657 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 4.218 -3.455 11.032 1.00 0.00 N flip ATOM 0 H HIS A 67 4.575 -8.970 8.416 1.00 0.00 H new ATOM 0 HA HIS A 67 4.124 -6.498 7.555 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.663 -7.115 9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.355 -7.410 10.173 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.803 -5.048 10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.097 -2.464 10.787 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.664 -2.732 11.492 1.00 0.00 H new ATOM 967 N ASP A 68 7.338 -6.570 8.368 1.00 0.00 N ATOM 968 CA ASP A 68 8.626 -5.940 8.101 1.00 0.00 C ATOM 969 C ASP A 68 8.944 -5.965 6.609 1.00 0.00 C ATOM 970 O ASP A 68 9.308 -4.947 6.024 1.00 0.00 O ATOM 971 CB ASP A 68 9.735 -6.644 8.884 1.00 0.00 C ATOM 972 CG ASP A 68 11.109 -6.388 8.297 1.00 0.00 C ATOM 973 OD1 ASP A 68 11.443 -5.208 8.059 1.00 0.00 O ATOM 974 OD2 ASP A 68 11.852 -7.367 8.078 1.00 0.00 O ATOM 0 H ASP A 68 7.370 -7.317 9.062 1.00 0.00 H new ATOM 0 HA ASP A 68 8.568 -4.901 8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.716 -6.305 9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.542 -7.717 8.897 1.00 0.00 H new ATOM 979 N GLY A 69 8.804 -7.139 5.999 1.00 0.00 N ATOM 980 CA GLY A 69 9.081 -7.276 4.581 1.00 0.00 C ATOM 981 C GLY A 69 8.386 -6.216 3.749 1.00 0.00 C ATOM 982 O GLY A 69 9.037 -5.356 3.156 1.00 0.00 O ATOM 0 H GLY A 69 8.504 -7.997 6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.157 -7.215 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.763 -8.263 4.246 1.00 0.00 H new ATOM 986 N VAL A 70 7.059 -6.278 3.705 1.00 0.00 N ATOM 987 CA VAL A 70 6.274 -5.317 2.939 1.00 0.00 C ATOM 988 C VAL A 70 6.715 -3.888 3.234 1.00 0.00 C ATOM 989 O VAL A 70 7.164 -3.168 2.342 1.00 0.00 O ATOM 990 CB VAL A 70 4.770 -5.452 3.242 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.949 -4.665 2.232 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.358 -6.916 3.251 1.00 0.00 C ATOM 0 H VAL A 70 6.505 -6.983 4.191 1.00 0.00 H new ATOM 0 HA VAL A 70 6.445 -5.537 1.885 1.00 0.00 H new ATOM 0 HB VAL A 70 4.578 -5.038 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.889 -4.772 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.226 -3.612 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.143 -5.046 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.292 -6.993 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.564 -7.358 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.922 -7.448 4.017 1.00 0.00 H new ATOM 1002 N VAL A 71 6.584 -3.482 4.493 1.00 0.00 N ATOM 1003 CA VAL A 71 6.970 -2.139 4.908 1.00 0.00 C ATOM 1004 C VAL A 71 8.376 -1.798 4.426 1.00 0.00 C ATOM 1005 O VAL A 71 8.746 -0.628 4.340 1.00 0.00 O ATOM 1006 CB VAL A 71 6.913 -1.986 6.439 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.633 -0.720 6.877 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.470 -1.982 6.920 1.00 0.00 C ATOM 0 H VAL A 71 6.213 -4.065 5.244 1.00 0.00 H new ATOM 0 HA VAL A 71 6.256 -1.451 4.455 1.00 0.00 H new ATOM 0 HB VAL A 71 7.421 -2.838 6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.582 -0.629 7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.676 -0.769 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.157 0.147 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.448 -1.873 8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.936 -1.150 6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.991 -2.920 6.640 1.00 0.00 H new ATOM 1018 N GLU A 72 9.155 -2.830 4.113 1.00 0.00 N ATOM 1019 CA GLU A 72 10.521 -2.638 3.641 1.00 0.00 C ATOM 1020 C GLU A 72 10.536 -2.240 2.168 1.00 0.00 C ATOM 1021 O GLU A 72 11.255 -1.324 1.769 1.00 0.00 O ATOM 1022 CB GLU A 72 11.338 -3.917 3.843 1.00 0.00 C ATOM 1023 CG GLU A 72 12.837 -3.678 3.897 1.00 0.00 C ATOM 1024 CD GLU A 72 13.254 -2.850 5.097 1.00 0.00 C ATOM 1025 OE1 GLU A 72 12.861 -3.204 6.228 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.973 -1.847 4.904 1.00 0.00 O ATOM 0 H GLU A 72 8.863 -3.805 4.178 1.00 0.00 H new ATOM 0 HA GLU A 72 10.970 -1.833 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.022 -4.398 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.118 -4.611 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.353 -4.638 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.154 -3.173 2.984 1.00 0.00 H new ATOM 1033 N MET A 73 9.737 -2.935 1.364 1.00 0.00 N ATOM 1034 CA MET A 73 9.658 -2.653 -0.064 1.00 0.00 C ATOM 1035 C MET A 73 9.394 -1.172 -0.313 1.00 0.00 C ATOM 1036 O MET A 73 9.967 -0.574 -1.224 1.00 0.00 O ATOM 1037 CB MET A 73 8.557 -3.495 -0.712 1.00 0.00 C ATOM 1038 CG MET A 73 8.737 -4.991 -0.509 1.00 0.00 C ATOM 1039 SD MET A 73 10.128 -5.656 -1.445 1.00 0.00 S ATOM 1040 CE MET A 73 9.360 -7.066 -2.238 1.00 0.00 C ATOM 0 H MET A 73 9.136 -3.697 1.678 1.00 0.00 H new ATOM 0 HA MET A 73 10.617 -2.913 -0.513 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.593 -3.195 -0.302 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.530 -3.282 -1.781 1.00 0.00 H new ATOM 0 HG2 MET A 73 8.887 -5.195 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.824 -5.507 -0.807 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.096 -7.860 -2.361 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.537 -7.427 -1.621 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.979 -6.771 -3.215 1.00 0.00 H new ATOM 1050 N ILE A 74 8.524 -0.586 0.503 1.00 0.00 N ATOM 1051 CA ILE A 74 8.186 0.826 0.371 1.00 0.00 C ATOM 1052 C ILE A 74 9.382 1.711 0.705 1.00 0.00 C ATOM 1053 O ILE A 74 9.638 2.707 0.027 1.00 0.00 O ATOM 1054 CB ILE A 74 7.006 1.210 1.284 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.734 0.484 0.842 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.795 2.716 1.271 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.768 0.214 1.975 1.00 0.00 C ATOM 0 H ILE A 74 8.041 -1.067 1.262 1.00 0.00 H new ATOM 0 HA ILE A 74 7.898 0.986 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 74 7.240 0.905 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.231 1.080 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.009 -0.462 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.958 2.972 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.697 3.213 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.579 3.044 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.890 -0.303 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.254 -0.408 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.464 1.158 2.427 1.00 0.00 H new ATOM 1069 N ARG A 75 10.111 1.341 1.753 1.00 0.00 N ATOM 1070 CA ARG A 75 11.281 2.101 2.176 1.00 0.00 C ATOM 1071 C ARG A 75 12.394 2.010 1.137 1.00 0.00 C ATOM 1072 O ARG A 75 13.144 2.964 0.929 1.00 0.00 O ATOM 1073 CB ARG A 75 11.786 1.590 3.527 1.00 0.00 C ATOM 1074 CG ARG A 75 11.091 2.228 4.718 1.00 0.00 C ATOM 1075 CD ARG A 75 11.140 1.324 5.941 1.00 0.00 C ATOM 1076 NE ARG A 75 12.491 1.208 6.482 1.00 0.00 N ATOM 1077 CZ ARG A 75 13.132 2.206 7.080 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.546 3.388 7.215 1.00 0.00 N ATOM 1079 NH2 ARG A 75 14.360 2.023 7.547 1.00 0.00 N ATOM 0 H ARG A 75 9.912 0.520 2.324 1.00 0.00 H new ATOM 0 HA ARG A 75 10.987 3.146 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.647 0.510 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.857 1.777 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.565 3.182 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.053 2.442 4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.474 1.717 6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.770 0.334 5.675 1.00 0.00 H new ATOM 0 HE ARG A 75 12.969 0.311 6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.601 3.532 6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.040 4.153 7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.814 1.115 7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.851 2.790 8.006 1.00 0.00 H new ATOM 1093 N LYS A 76 12.496 0.856 0.486 1.00 0.00 N ATOM 1094 CA LYS A 76 13.516 0.639 -0.533 1.00 0.00 C ATOM 1095 C LYS A 76 13.212 1.449 -1.789 1.00 0.00 C ATOM 1096 O LYS A 76 14.118 1.826 -2.531 1.00 0.00 O ATOM 1097 CB LYS A 76 13.610 -0.848 -0.881 1.00 0.00 C ATOM 1098 CG LYS A 76 14.088 -1.714 0.271 1.00 0.00 C ATOM 1099 CD LYS A 76 13.654 -3.160 0.099 1.00 0.00 C ATOM 1100 CE LYS A 76 14.606 -3.924 -0.809 1.00 0.00 C ATOM 1101 NZ LYS A 76 15.899 -4.222 -0.132 1.00 0.00 N ATOM 0 H LYS A 76 11.884 0.056 0.646 1.00 0.00 H new ATOM 0 HA LYS A 76 14.473 0.972 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.631 -1.199 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.289 -0.973 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.175 -1.665 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.693 -1.324 1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.610 -3.646 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.648 -3.192 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.138 -4.856 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.794 -3.341 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.429 -4.922 -0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.458 -3.349 -0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.714 -4.603 0.818 1.00 0.00 H new ATOM 1115 N GLY A 77 11.929 1.713 -2.021 1.00 0.00 N ATOM 1116 CA GLY A 77 11.529 2.478 -3.188 1.00 0.00 C ATOM 1117 C GLY A 77 12.189 3.841 -3.242 1.00 0.00 C ATOM 1118 O GLY A 77 12.391 4.399 -4.320 1.00 0.00 O ATOM 0 H GLY A 77 11.161 1.411 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.782 1.919 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.446 2.602 -3.184 1.00 0.00 H new ATOM 1122 N GLY A 78 12.524 4.382 -2.074 1.00 0.00 N ATOM 1123 CA GLY A 78 13.160 5.685 -2.015 1.00 0.00 C ATOM 1124 C GLY A 78 12.221 6.766 -1.517 1.00 0.00 C ATOM 1125 O GLY A 78 12.205 7.084 -0.327 1.00 0.00 O ATOM 0 H GLY A 78 12.366 3.941 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.029 5.632 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.525 5.953 -3.007 1.00 0.00 H new ATOM 1129 N ASP A 79 11.437 7.332 -2.427 1.00 0.00 N ATOM 1130 CA ASP A 79 10.491 8.385 -2.074 1.00 0.00 C ATOM 1131 C ASP A 79 9.077 8.013 -2.509 1.00 0.00 C ATOM 1132 O ASP A 79 8.138 8.074 -1.716 1.00 0.00 O ATOM 1133 CB ASP A 79 10.905 9.709 -2.717 1.00 0.00 C ATOM 1134 CG ASP A 79 12.377 10.012 -2.522 1.00 0.00 C ATOM 1135 OD1 ASP A 79 13.199 9.481 -3.297 1.00 0.00 O ATOM 1136 OD2 ASP A 79 12.707 10.781 -1.595 1.00 0.00 O ATOM 0 H ASP A 79 11.437 7.080 -3.415 1.00 0.00 H new ATOM 0 HA ASP A 79 10.500 8.499 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.682 9.677 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.311 10.518 -2.291 1.00 0.00 H new ATOM 1141 N GLN A 80 8.934 7.629 -3.774 1.00 0.00 N ATOM 1142 CA GLN A 80 7.634 7.249 -4.314 1.00 0.00 C ATOM 1143 C GLN A 80 7.584 5.754 -4.610 1.00 0.00 C ATOM 1144 O GLN A 80 8.600 5.139 -4.935 1.00 0.00 O ATOM 1145 CB GLN A 80 7.336 8.044 -5.587 1.00 0.00 C ATOM 1146 CG GLN A 80 8.136 7.581 -6.794 1.00 0.00 C ATOM 1147 CD GLN A 80 8.200 8.629 -7.888 1.00 0.00 C ATOM 1148 OE1 GLN A 80 9.279 9.095 -8.255 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.041 9.006 -8.416 1.00 0.00 N ATOM 0 H GLN A 80 9.702 7.573 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 80 6.876 7.478 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.273 7.965 -5.814 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.546 9.098 -5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.148 7.328 -6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.689 6.671 -7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.170 8.594 -8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.022 9.708 -9.156 1.00 0.00 H new ATOM 1158 N THR A 81 6.393 5.173 -4.495 1.00 0.00 N ATOM 1159 CA THR A 81 6.210 3.750 -4.748 1.00 0.00 C ATOM 1160 C THR A 81 4.782 3.449 -5.189 1.00 0.00 C ATOM 1161 O THR A 81 3.839 4.128 -4.780 1.00 0.00 O ATOM 1162 CB THR A 81 6.537 2.910 -3.499 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.317 1.521 -3.771 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.684 3.343 -2.317 1.00 0.00 C ATOM 0 H THR A 81 5.541 5.667 -4.228 1.00 0.00 H new ATOM 0 HA THR A 81 6.899 3.481 -5.548 1.00 0.00 H new ATOM 0 HB THR A 81 7.585 3.068 -3.246 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.196 1.392 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.933 2.736 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.877 4.392 -2.094 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.630 3.212 -2.562 1.00 0.00 H new ATOM 1172 N THR A 82 4.627 2.427 -6.024 1.00 0.00 N ATOM 1173 CA THR A 82 3.314 2.036 -6.520 1.00 0.00 C ATOM 1174 C THR A 82 2.762 0.849 -5.740 1.00 0.00 C ATOM 1175 O THR A 82 3.461 -0.142 -5.521 1.00 0.00 O ATOM 1176 CB THR A 82 3.363 1.675 -8.017 1.00 0.00 C ATOM 1177 OG1 THR A 82 3.796 2.807 -8.780 1.00 0.00 O ATOM 1178 CG2 THR A 82 1.998 1.218 -8.508 1.00 0.00 C ATOM 0 H THR A 82 5.396 1.854 -6.371 1.00 0.00 H new ATOM 0 HA THR A 82 2.656 2.894 -6.382 1.00 0.00 H new ATOM 0 HB THR A 82 4.071 0.857 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.826 2.569 -9.730 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.057 0.969 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.684 0.339 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.273 2.019 -8.364 1.00 0.00 H new ATOM 1186 N LEU A 83 1.505 0.953 -5.323 1.00 0.00 N ATOM 1187 CA LEU A 83 0.859 -0.114 -4.567 1.00 0.00 C ATOM 1188 C LEU A 83 -0.261 -0.757 -5.381 1.00 0.00 C ATOM 1189 O LEU A 83 -0.793 -0.151 -6.312 1.00 0.00 O ATOM 1190 CB LEU A 83 0.300 0.432 -3.252 1.00 0.00 C ATOM 1191 CG LEU A 83 1.068 1.598 -2.629 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.434 2.011 -1.310 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.530 1.226 -2.427 1.00 0.00 C ATOM 0 H LEU A 83 0.913 1.765 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 83 1.608 -0.875 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.729 0.750 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.266 -0.383 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 83 1.020 2.446 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.994 2.842 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.597 2.319 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.450 1.168 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.062 2.068 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.598 0.363 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.979 0.980 -3.389 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.615 -1.986 -5.022 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.673 -2.710 -5.717 1.00 0.00 C ATOM 1207 C LEU A 84 -2.659 -3.318 -4.725 1.00 0.00 C ATOM 1208 O LEU A 84 -2.410 -4.382 -4.158 1.00 0.00 O ATOM 1209 CB LEU A 84 -1.073 -3.810 -6.595 1.00 0.00 C ATOM 1210 CG LEU A 84 -2.074 -4.723 -7.304 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.819 -3.959 -8.388 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.366 -5.934 -7.894 1.00 0.00 C ATOM 0 H LEU A 84 -0.185 -2.502 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.210 -2.002 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.442 -3.341 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.423 -4.428 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.800 -5.073 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.527 -4.625 -8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.358 -3.124 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.107 -3.579 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.094 -6.573 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.618 -5.603 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.879 -6.495 -7.096 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.782 -2.635 -4.521 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.808 -3.109 -3.599 1.00 0.00 C ATOM 1226 C VAL A 85 -5.960 -3.767 -4.351 1.00 0.00 C ATOM 1227 O VAL A 85 -6.197 -3.475 -5.524 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.362 -1.959 -2.737 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -4.226 -1.111 -2.186 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.331 -1.109 -3.543 1.00 0.00 C ATOM 0 H VAL A 85 -4.004 -1.752 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.335 -3.845 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.905 -2.387 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.636 -0.303 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.574 -1.731 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.653 -0.690 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.713 -0.301 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.815 -0.688 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.161 -1.728 -3.884 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.674 -4.654 -3.668 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.803 -5.354 -4.271 1.00 0.00 C ATOM 1242 C LEU A 86 -9.105 -4.595 -4.031 1.00 0.00 C ATOM 1243 O LEU A 86 -9.388 -4.167 -2.912 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.913 -6.770 -3.703 1.00 0.00 C ATOM 1245 CG LEU A 86 -8.470 -7.832 -4.651 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -9.786 -7.370 -5.256 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -7.462 -8.153 -5.745 1.00 0.00 C ATOM 0 H LEU A 86 -6.492 -4.906 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.631 -5.413 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.923 -7.087 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.545 -6.736 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.656 -8.741 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.167 -8.139 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.510 -7.192 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.626 -6.447 -5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.876 -8.911 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.244 -7.250 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.543 -8.528 -5.294 1.00 0.00 H new