USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 412 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 8 ASN : amide:sc= -1.31 K(o=-1.3,f=-5!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= -0.794 USER MOD Set 2.2: A 53 THR OG1 : rot 156:sc= -0.0952 USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= 0.576 (180deg=-1.44) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 89:sc= -0.506 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.8!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.19 K(o=-0.19,f=-4.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.504 USER MOD Single : A 49 THR OG1 : rot -45:sc= 0.81 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.366) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.61 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 8.976 2.184 2.671 1.00 0.00 N ATOM 32 CA PHE A 3 7.754 2.484 1.860 1.00 0.00 C ATOM 33 C PHE A 3 6.537 2.599 2.784 1.00 0.00 C ATOM 34 O PHE A 3 6.542 2.087 3.886 1.00 0.00 O ATOM 35 CB PHE A 3 7.599 1.295 0.900 1.00 0.00 C ATOM 36 CG PHE A 3 8.853 1.143 0.063 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.365 2.241 -0.643 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.507 -0.096 -0.002 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.527 2.099 -1.411 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.668 -0.235 -0.771 1.00 0.00 C ATOM 41 CZ PHE A 3 11.178 0.862 -1.475 1.00 0.00 C ATOM 0 HA PHE A 3 7.836 3.425 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.415 0.381 1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.735 1.449 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.863 3.196 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.115 -0.943 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.921 2.945 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.171 -1.189 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.074 0.754 -2.068 1.00 0.00 H new ATOM 51 N LYS A 4 5.501 3.274 2.347 1.00 0.00 N ATOM 52 CA LYS A 4 4.288 3.429 3.208 1.00 0.00 C ATOM 53 C LYS A 4 3.012 3.339 2.370 1.00 0.00 C ATOM 54 O LYS A 4 2.993 3.710 1.215 1.00 0.00 O ATOM 55 CB LYS A 4 4.411 4.825 3.818 1.00 0.00 C ATOM 56 CG LYS A 4 3.345 5.009 4.902 1.00 0.00 C ATOM 57 CD LYS A 4 3.428 6.432 5.471 1.00 0.00 C ATOM 58 CE LYS A 4 2.023 7.038 5.567 1.00 0.00 C ATOM 59 NZ LYS A 4 2.119 8.066 6.641 1.00 0.00 N ATOM 0 H LYS A 4 5.444 3.723 1.433 1.00 0.00 H new ATOM 0 HA LYS A 4 4.228 2.646 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.405 4.960 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.291 5.583 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.354 4.831 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.492 4.279 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.893 6.412 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.058 7.052 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.720 7.484 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.281 6.278 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.386 7.889 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.058 8.016 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.980 9.011 6.230 1.00 0.00 H new ATOM 73 N LEU A 5 1.943 2.865 2.959 1.00 0.00 N ATOM 74 CA LEU A 5 0.650 2.761 2.220 1.00 0.00 C ATOM 75 C LEU A 5 -0.511 3.020 3.184 1.00 0.00 C ATOM 76 O LEU A 5 -0.487 2.592 4.323 1.00 0.00 O ATOM 77 CB LEU A 5 0.594 1.325 1.683 1.00 0.00 C ATOM 78 CG LEU A 5 -0.213 1.288 0.370 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.586 0.562 -0.720 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.537 0.550 0.598 1.00 0.00 C ATOM 0 H LEU A 5 1.911 2.544 3.927 1.00 0.00 H new ATOM 0 HA LEU A 5 0.576 3.489 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.604 0.952 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.134 0.669 2.422 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.411 2.311 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.007 0.542 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.526 1.087 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.794 -0.459 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.105 0.526 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.334 -0.469 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.115 1.068 1.363 1.00 0.00 H new ATOM 92 N ILE A 6 -1.520 3.720 2.738 1.00 0.00 N ATOM 93 CA ILE A 6 -2.684 4.015 3.626 1.00 0.00 C ATOM 94 C ILE A 6 -3.918 3.244 3.145 1.00 0.00 C ATOM 95 O ILE A 6 -4.338 3.371 2.010 1.00 0.00 O ATOM 96 CB ILE A 6 -2.881 5.532 3.507 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.664 6.247 4.117 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.164 5.969 4.232 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.555 5.934 5.614 1.00 0.00 C ATOM 0 H ILE A 6 -1.589 4.102 1.795 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.522 3.713 4.661 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.976 5.798 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.755 5.931 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.755 7.323 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.286 7.048 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.023 5.466 3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.094 5.704 5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.689 6.447 6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.457 6.273 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.441 4.859 5.754 1.00 0.00 H new ATOM 111 N ILE A 7 -4.494 2.446 4.006 1.00 0.00 N ATOM 112 CA ILE A 7 -5.700 1.656 3.616 1.00 0.00 C ATOM 113 C ILE A 7 -6.937 2.560 3.593 1.00 0.00 C ATOM 114 O ILE A 7 -7.409 3.006 4.623 1.00 0.00 O ATOM 115 CB ILE A 7 -5.841 0.575 4.695 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.576 -0.288 4.727 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.047 -0.313 4.380 1.00 0.00 C ATOM 118 CD1 ILE A 7 -4.561 -1.122 6.009 1.00 0.00 C ATOM 0 H ILE A 7 -4.180 2.307 4.966 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.604 1.222 2.621 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.983 1.054 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.546 -0.941 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.690 0.345 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.145 -1.080 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.951 0.296 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.905 -0.788 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.661 -1.737 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.571 -0.459 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.440 -1.765 6.035 1.00 0.00 H new ATOM 130 N ASN A 8 -7.465 2.827 2.426 1.00 0.00 N ATOM 131 CA ASN A 8 -8.676 3.696 2.326 1.00 0.00 C ATOM 132 C ASN A 8 -9.912 2.836 2.052 1.00 0.00 C ATOM 133 O ASN A 8 -10.655 3.079 1.119 1.00 0.00 O ATOM 134 CB ASN A 8 -8.399 4.635 1.151 1.00 0.00 C ATOM 135 CG ASN A 8 -7.528 5.804 1.619 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.848 5.710 2.622 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.520 6.912 0.929 1.00 0.00 N ATOM 0 H ASN A 8 -7.109 2.480 1.536 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.868 4.249 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.897 4.093 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.338 5.009 0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.944 7.697 1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.090 6.993 0.087 1.00 0.00 H new ATOM 144 N GLY A 9 -10.132 1.833 2.862 1.00 0.00 N ATOM 145 CA GLY A 9 -11.315 0.946 2.662 1.00 0.00 C ATOM 146 C GLY A 9 -12.551 1.591 3.291 1.00 0.00 C ATOM 147 O GLY A 9 -12.454 2.329 4.253 1.00 0.00 O ATOM 0 H GLY A 9 -9.540 1.590 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.481 0.779 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.132 -0.029 3.113 1.00 0.00 H new ATOM 151 N LYS A 10 -13.713 1.322 2.749 1.00 0.00 N ATOM 152 CA LYS A 10 -14.968 1.918 3.302 1.00 0.00 C ATOM 153 C LYS A 10 -15.107 1.607 4.797 1.00 0.00 C ATOM 154 O LYS A 10 -15.667 2.380 5.551 1.00 0.00 O ATOM 155 CB LYS A 10 -16.105 1.262 2.515 1.00 0.00 C ATOM 156 CG LYS A 10 -15.972 1.617 1.033 1.00 0.00 C ATOM 157 CD LYS A 10 -17.334 1.478 0.350 1.00 0.00 C ATOM 158 CE LYS A 10 -17.177 1.715 -1.154 1.00 0.00 C ATOM 159 NZ LYS A 10 -18.401 2.463 -1.554 1.00 0.00 N ATOM 0 H LYS A 10 -13.847 0.712 1.943 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.974 3.004 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.074 0.180 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.068 1.601 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.601 2.636 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.245 0.961 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.744 0.485 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.039 2.196 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.275 2.288 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.095 0.773 -1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.368 2.663 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.243 1.891 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.449 3.358 -1.027 1.00 0.00 H new ATOM 173 N THR A 11 -14.599 0.479 5.226 1.00 0.00 N ATOM 174 CA THR A 11 -14.696 0.108 6.669 1.00 0.00 C ATOM 175 C THR A 11 -13.302 -0.156 7.244 1.00 0.00 C ATOM 176 O THR A 11 -13.003 0.218 8.363 1.00 0.00 O ATOM 177 CB THR A 11 -15.537 -1.169 6.693 1.00 0.00 C ATOM 178 OG1 THR A 11 -16.710 -0.976 5.915 1.00 0.00 O ATOM 179 CG2 THR A 11 -15.928 -1.499 8.135 1.00 0.00 C ATOM 0 H THR A 11 -14.120 -0.202 4.637 1.00 0.00 H new ATOM 0 HA THR A 11 -15.141 0.901 7.270 1.00 0.00 H new ATOM 0 HB THR A 11 -14.957 -1.994 6.279 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.249 -1.794 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.527 -2.409 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.028 -1.647 8.731 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.508 -0.676 8.552 1.00 0.00 H new ATOM 187 N LEU A 12 -12.450 -0.799 6.487 1.00 0.00 N ATOM 188 CA LEU A 12 -11.072 -1.093 6.982 1.00 0.00 C ATOM 189 C LEU A 12 -10.125 0.059 6.634 1.00 0.00 C ATOM 190 O LEU A 12 -10.202 0.635 5.566 1.00 0.00 O ATOM 191 CB LEU A 12 -10.653 -2.371 6.254 1.00 0.00 C ATOM 192 CG LEU A 12 -11.576 -3.519 6.663 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.753 -4.477 5.484 1.00 0.00 C ATOM 194 CD2 LEU A 12 -10.959 -4.274 7.843 1.00 0.00 C ATOM 0 H LEU A 12 -12.650 -1.134 5.545 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.040 -1.212 8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.700 -2.220 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.619 -2.618 6.497 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.547 -3.117 6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.411 -5.295 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.192 -3.941 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.782 -4.878 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.617 -5.093 8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.988 -4.675 7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.832 -3.593 8.684 1.00 0.00 H new ATOM 206 N LYS A 13 -9.234 0.394 7.532 1.00 0.00 N ATOM 207 CA LYS A 13 -8.274 1.507 7.266 1.00 0.00 C ATOM 208 C LYS A 13 -7.006 1.320 8.102 1.00 0.00 C ATOM 209 O LYS A 13 -6.859 0.339 8.807 1.00 0.00 O ATOM 210 CB LYS A 13 -9.013 2.777 7.690 1.00 0.00 C ATOM 211 CG LYS A 13 -10.007 3.181 6.599 1.00 0.00 C ATOM 212 CD LYS A 13 -10.486 4.612 6.851 1.00 0.00 C ATOM 213 CE LYS A 13 -11.294 5.101 5.646 1.00 0.00 C ATOM 214 NZ LYS A 13 -12.346 5.984 6.223 1.00 0.00 N ATOM 0 H LYS A 13 -9.130 -0.057 8.441 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.964 1.545 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.538 2.608 8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.301 3.584 7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.536 3.111 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.856 2.497 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.099 4.648 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.632 5.268 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.664 5.645 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.734 4.266 5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.942 6.359 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.934 5.437 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.897 6.773 6.731 1.00 0.00 H new ATOM 228 N GLY A 14 -6.092 2.254 8.031 1.00 0.00 N ATOM 229 CA GLY A 14 -4.833 2.138 8.821 1.00 0.00 C ATOM 230 C GLY A 14 -3.626 2.357 7.906 1.00 0.00 C ATOM 231 O GLY A 14 -3.728 2.264 6.697 1.00 0.00 O ATOM 0 H GLY A 14 -6.166 3.094 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.829 2.873 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.774 1.154 9.287 1.00 0.00 H new ATOM 235 N GLU A 15 -2.486 2.646 8.479 1.00 0.00 N ATOM 236 CA GLU A 15 -1.261 2.874 7.656 1.00 0.00 C ATOM 237 C GLU A 15 -0.373 1.625 7.682 1.00 0.00 C ATOM 238 O GLU A 15 -0.508 0.777 8.545 1.00 0.00 O ATOM 239 CB GLU A 15 -0.554 4.056 8.328 1.00 0.00 C ATOM 240 CG GLU A 15 0.748 4.375 7.587 1.00 0.00 C ATOM 241 CD GLU A 15 1.421 5.586 8.235 1.00 0.00 C ATOM 242 OE1 GLU A 15 0.737 6.573 8.453 1.00 0.00 O ATOM 243 OE2 GLU A 15 2.608 5.506 8.504 1.00 0.00 O ATOM 0 H GLU A 15 -2.351 2.734 9.486 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.490 3.078 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.206 4.929 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.341 3.818 9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.416 3.515 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.540 4.580 6.537 1.00 0.00 H new ATOM 250 N THR A 16 0.533 1.509 6.743 1.00 0.00 N ATOM 251 CA THR A 16 1.434 0.316 6.714 1.00 0.00 C ATOM 252 C THR A 16 2.694 0.611 5.893 1.00 0.00 C ATOM 253 O THR A 16 2.647 1.303 4.895 1.00 0.00 O ATOM 254 CB THR A 16 0.610 -0.800 6.059 1.00 0.00 C ATOM 255 OG1 THR A 16 1.403 -1.974 5.963 1.00 0.00 O ATOM 256 CG2 THR A 16 0.159 -0.373 4.657 1.00 0.00 C ATOM 0 H THR A 16 0.687 2.187 5.997 1.00 0.00 H new ATOM 0 HA THR A 16 1.770 0.038 7.713 1.00 0.00 H new ATOM 0 HB THR A 16 -0.271 -0.997 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.879 -2.690 5.546 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.425 -1.174 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.453 0.526 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.034 -0.167 4.040 1.00 0.00 H new ATOM 264 N THR A 17 3.817 0.083 6.310 1.00 0.00 N ATOM 265 CA THR A 17 5.087 0.319 5.560 1.00 0.00 C ATOM 266 C THR A 17 5.846 -0.996 5.391 1.00 0.00 C ATOM 267 O THR A 17 5.646 -1.935 6.138 1.00 0.00 O ATOM 268 CB THR A 17 5.899 1.283 6.425 1.00 0.00 C ATOM 269 OG1 THR A 17 5.992 0.766 7.746 1.00 0.00 O ATOM 270 CG2 THR A 17 5.219 2.651 6.457 1.00 0.00 C ATOM 0 H THR A 17 3.909 -0.503 7.140 1.00 0.00 H new ATOM 0 HA THR A 17 4.902 0.723 4.565 1.00 0.00 H new ATOM 0 HB THR A 17 6.898 1.392 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.514 1.382 8.302 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.803 3.333 7.075 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.151 3.047 5.444 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.217 2.550 6.875 1.00 0.00 H new ATOM 278 N THR A 18 6.717 -1.068 4.417 1.00 0.00 N ATOM 279 CA THR A 18 7.492 -2.314 4.198 1.00 0.00 C ATOM 280 C THR A 18 8.947 -1.954 3.835 1.00 0.00 C ATOM 281 O THR A 18 9.234 -0.857 3.394 1.00 0.00 O ATOM 282 CB THR A 18 6.726 -3.039 3.055 1.00 0.00 C ATOM 283 OG1 THR A 18 6.043 -4.157 3.602 1.00 0.00 O ATOM 284 CG2 THR A 18 7.669 -3.530 1.953 1.00 0.00 C ATOM 0 H THR A 18 6.922 -0.311 3.764 1.00 0.00 H new ATOM 0 HA THR A 18 7.568 -2.960 5.073 1.00 0.00 H new ATOM 0 HB THR A 18 6.030 -2.327 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.152 -3.881 3.904 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.091 -4.030 1.176 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.198 -2.680 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.390 -4.230 2.376 1.00 0.00 H new ATOM 292 N GLU A 19 9.851 -2.883 4.005 1.00 0.00 N ATOM 293 CA GLU A 19 11.279 -2.624 3.660 1.00 0.00 C ATOM 294 C GLU A 19 11.707 -3.567 2.534 1.00 0.00 C ATOM 295 O GLU A 19 11.712 -4.773 2.697 1.00 0.00 O ATOM 296 CB GLU A 19 12.063 -2.919 4.938 1.00 0.00 C ATOM 297 CG GLU A 19 13.513 -2.464 4.762 1.00 0.00 C ATOM 298 CD GLU A 19 14.443 -3.410 5.524 1.00 0.00 C ATOM 299 OE1 GLU A 19 14.366 -4.604 5.285 1.00 0.00 O ATOM 300 OE2 GLU A 19 15.216 -2.926 6.333 1.00 0.00 O ATOM 0 H GLU A 19 9.659 -3.816 4.370 1.00 0.00 H new ATOM 0 HA GLU A 19 11.450 -1.604 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.609 -2.403 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.030 -3.986 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.776 -2.453 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.632 -1.445 5.130 1.00 0.00 H new ATOM 307 N ALA A 20 12.052 -3.029 1.392 1.00 0.00 N ATOM 308 CA ALA A 20 12.464 -3.898 0.249 1.00 0.00 C ATOM 309 C ALA A 20 13.467 -3.172 -0.651 1.00 0.00 C ATOM 310 O ALA A 20 13.848 -2.046 -0.393 1.00 0.00 O ATOM 311 CB ALA A 20 11.168 -4.172 -0.513 1.00 0.00 C ATOM 0 H ALA A 20 12.066 -2.027 1.202 1.00 0.00 H new ATOM 0 HA ALA A 20 12.953 -4.813 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.379 -4.807 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.459 -4.675 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.740 -3.229 -0.854 1.00 0.00 H new ATOM 317 N VAL A 21 13.892 -3.817 -1.707 1.00 0.00 N ATOM 318 CA VAL A 21 14.872 -3.181 -2.641 1.00 0.00 C ATOM 319 C VAL A 21 14.265 -1.926 -3.265 1.00 0.00 C ATOM 320 O VAL A 21 14.933 -0.933 -3.480 1.00 0.00 O ATOM 321 CB VAL A 21 15.139 -4.235 -3.732 1.00 0.00 C ATOM 322 CG1 VAL A 21 13.852 -4.561 -4.504 1.00 0.00 C ATOM 323 CG2 VAL A 21 16.194 -3.703 -4.705 1.00 0.00 C ATOM 0 H VAL A 21 13.602 -4.760 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 21 15.786 -2.882 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 21 15.497 -5.147 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.066 -5.308 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.103 -4.952 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.472 -3.655 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.384 -4.448 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.832 -2.784 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.118 -3.498 -4.164 1.00 0.00 H new ATOM 333 N ASP A 22 13.006 -1.995 -3.582 1.00 0.00 N ATOM 334 CA ASP A 22 12.313 -0.853 -4.230 1.00 0.00 C ATOM 335 C ASP A 22 10.823 -0.884 -3.886 1.00 0.00 C ATOM 336 O ASP A 22 10.297 -1.902 -3.477 1.00 0.00 O ATOM 337 CB ASP A 22 12.532 -1.093 -5.726 1.00 0.00 C ATOM 338 CG ASP A 22 14.022 -1.001 -6.064 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.586 0.065 -5.881 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.573 -1.998 -6.500 1.00 0.00 O ATOM 0 H ASP A 22 12.417 -2.811 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 22 12.687 0.118 -3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.149 -2.075 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.974 -0.357 -6.305 1.00 0.00 H new ATOM 345 N ALA A 23 10.142 0.221 -4.046 1.00 0.00 N ATOM 346 CA ALA A 23 8.683 0.255 -3.725 1.00 0.00 C ATOM 347 C ALA A 23 7.925 -0.717 -4.629 1.00 0.00 C ATOM 348 O ALA A 23 6.946 -1.312 -4.225 1.00 0.00 O ATOM 349 CB ALA A 23 8.239 1.695 -3.988 1.00 0.00 C ATOM 0 H ALA A 23 10.532 1.101 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 23 8.483 -0.043 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.175 1.793 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.803 2.372 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.422 1.947 -5.032 1.00 0.00 H new ATOM 355 N ALA A 24 8.377 -0.890 -5.847 1.00 0.00 N ATOM 356 CA ALA A 24 7.686 -1.836 -6.782 1.00 0.00 C ATOM 357 C ALA A 24 7.591 -3.228 -6.147 1.00 0.00 C ATOM 358 O ALA A 24 6.541 -3.841 -6.128 1.00 0.00 O ATOM 359 CB ALA A 24 8.564 -1.879 -8.035 1.00 0.00 C ATOM 0 H ALA A 24 9.194 -0.418 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 24 6.669 -1.517 -7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.120 -2.554 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.638 -0.879 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.559 -2.235 -7.770 1.00 0.00 H new ATOM 365 N THR A 25 8.682 -3.716 -5.615 1.00 0.00 N ATOM 366 CA THR A 25 8.667 -5.061 -4.964 1.00 0.00 C ATOM 367 C THR A 25 7.779 -5.022 -3.713 1.00 0.00 C ATOM 368 O THR A 25 6.943 -5.887 -3.508 1.00 0.00 O ATOM 369 CB THR A 25 10.136 -5.347 -4.597 1.00 0.00 C ATOM 370 OG1 THR A 25 10.876 -5.583 -5.786 1.00 0.00 O ATOM 371 CG2 THR A 25 10.234 -6.579 -3.685 1.00 0.00 C ATOM 0 H THR A 25 9.584 -3.240 -5.603 1.00 0.00 H new ATOM 0 HA THR A 25 8.263 -5.838 -5.613 1.00 0.00 H new ATOM 0 HB THR A 25 10.542 -4.485 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.767 -5.919 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.279 -6.765 -3.436 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.670 -6.400 -2.770 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.823 -7.447 -4.201 1.00 0.00 H new ATOM 379 N ALA A 26 7.962 -4.033 -2.870 1.00 0.00 N ATOM 380 CA ALA A 26 7.137 -3.954 -1.629 1.00 0.00 C ATOM 381 C ALA A 26 5.653 -3.867 -1.983 1.00 0.00 C ATOM 382 O ALA A 26 4.874 -4.714 -1.606 1.00 0.00 O ATOM 383 CB ALA A 26 7.582 -2.677 -0.909 1.00 0.00 C ATOM 0 H ALA A 26 8.643 -3.283 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 26 7.272 -4.837 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.012 -2.562 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.644 -2.744 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.407 -1.816 -1.554 1.00 0.00 H new ATOM 389 N GLU A 27 5.267 -2.838 -2.702 1.00 0.00 N ATOM 390 CA GLU A 27 3.825 -2.644 -3.091 1.00 0.00 C ATOM 391 C GLU A 27 3.140 -3.963 -3.483 1.00 0.00 C ATOM 392 O GLU A 27 1.973 -4.164 -3.199 1.00 0.00 O ATOM 393 CB GLU A 27 3.868 -1.687 -4.285 1.00 0.00 C ATOM 394 CG GLU A 27 2.613 -0.814 -4.296 1.00 0.00 C ATOM 395 CD GLU A 27 1.561 -1.443 -5.214 1.00 0.00 C ATOM 396 OE1 GLU A 27 1.454 -2.658 -5.214 1.00 0.00 O ATOM 397 OE2 GLU A 27 0.882 -0.698 -5.900 1.00 0.00 O ATOM 0 H GLU A 27 5.897 -2.112 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 27 3.244 -2.255 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.758 -1.060 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.936 -2.253 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.217 -0.715 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.859 0.190 -4.641 1.00 0.00 H new ATOM 404 N LYS A 28 3.857 -4.872 -4.101 1.00 0.00 N ATOM 405 CA LYS A 28 3.236 -6.184 -4.468 1.00 0.00 C ATOM 406 C LYS A 28 2.860 -6.914 -3.179 1.00 0.00 C ATOM 407 O LYS A 28 1.758 -7.405 -3.025 1.00 0.00 O ATOM 408 CB LYS A 28 4.314 -6.959 -5.229 1.00 0.00 C ATOM 409 CG LYS A 28 4.737 -6.179 -6.475 1.00 0.00 C ATOM 410 CD LYS A 28 6.161 -6.582 -6.865 1.00 0.00 C ATOM 411 CE LYS A 28 6.109 -7.731 -7.875 1.00 0.00 C ATOM 412 NZ LYS A 28 6.054 -7.070 -9.208 1.00 0.00 N ATOM 0 H LYS A 28 4.836 -4.764 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 28 2.338 -6.073 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.177 -7.126 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.935 -7.940 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.051 -6.384 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.690 -5.107 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.687 -5.729 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.719 -6.887 -5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.986 -8.373 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.235 -8.362 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.016 -7.794 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.205 -6.471 -9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.902 -6.482 -9.339 1.00 0.00 H new ATOM 426 N VAL A 29 3.771 -6.950 -2.239 1.00 0.00 N ATOM 427 CA VAL A 29 3.480 -7.607 -0.930 1.00 0.00 C ATOM 428 C VAL A 29 2.377 -6.815 -0.222 1.00 0.00 C ATOM 429 O VAL A 29 1.538 -7.374 0.457 1.00 0.00 O ATOM 430 CB VAL A 29 4.812 -7.545 -0.151 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.587 -7.757 1.356 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.750 -8.634 -0.676 1.00 0.00 C ATOM 0 H VAL A 29 4.706 -6.551 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 29 3.132 -8.636 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 29 5.251 -6.558 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.543 -7.708 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.925 -6.980 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.133 -8.734 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.693 -8.596 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.288 -9.611 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.938 -8.471 -1.737 1.00 0.00 H new ATOM 442 N LEU A 30 2.382 -5.514 -0.368 1.00 0.00 N ATOM 443 CA LEU A 30 1.339 -4.693 0.304 1.00 0.00 C ATOM 444 C LEU A 30 -0.015 -5.033 -0.309 1.00 0.00 C ATOM 445 O LEU A 30 -1.022 -5.062 0.367 1.00 0.00 O ATOM 446 CB LEU A 30 1.738 -3.230 0.039 1.00 0.00 C ATOM 447 CG LEU A 30 2.897 -2.753 0.962 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.349 -2.248 2.292 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.918 -3.859 1.256 1.00 0.00 C ATOM 0 H LEU A 30 3.061 -4.990 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 30 1.264 -4.876 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.039 -3.122 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.871 -2.587 0.188 1.00 0.00 H new ATOM 0 HG LEU A 30 3.401 -1.952 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.174 -1.919 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.673 -1.412 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.808 -3.052 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.702 -3.467 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.420 -4.692 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.359 -4.205 0.321 1.00 0.00 H new ATOM 461 N LYS A 31 -0.031 -5.343 -1.582 1.00 0.00 N ATOM 462 CA LYS A 31 -1.310 -5.742 -2.245 1.00 0.00 C ATOM 463 C LYS A 31 -1.807 -7.021 -1.584 1.00 0.00 C ATOM 464 O LYS A 31 -2.968 -7.164 -1.254 1.00 0.00 O ATOM 465 CB LYS A 31 -0.939 -6.032 -3.700 1.00 0.00 C ATOM 466 CG LYS A 31 -2.161 -5.812 -4.601 1.00 0.00 C ATOM 467 CD LYS A 31 -3.143 -6.983 -4.449 1.00 0.00 C ATOM 468 CE LYS A 31 -2.443 -8.302 -4.805 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.311 -8.945 -5.831 1.00 0.00 N ATOM 0 H LYS A 31 0.787 -5.337 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.084 -4.978 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.123 -5.381 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.584 -7.058 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.654 -4.876 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.846 -5.724 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.517 -7.025 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.005 -6.832 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.441 -8.122 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.334 -8.939 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.893 -9.852 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.256 -9.112 -5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.391 -8.321 -6.659 1.00 0.00 H new ATOM 483 N GLN A 32 -0.907 -7.947 -1.373 1.00 0.00 N ATOM 484 CA GLN A 32 -1.278 -9.232 -0.709 1.00 0.00 C ATOM 485 C GLN A 32 -1.935 -8.935 0.643 1.00 0.00 C ATOM 486 O GLN A 32 -2.920 -9.544 1.015 1.00 0.00 O ATOM 487 CB GLN A 32 0.037 -9.978 -0.518 1.00 0.00 C ATOM 488 CG GLN A 32 0.300 -10.871 -1.731 1.00 0.00 C ATOM 489 CD GLN A 32 1.154 -12.068 -1.309 1.00 0.00 C ATOM 490 OE1 GLN A 32 1.032 -12.556 -0.203 1.00 0.00 O ATOM 491 NE2 GLN A 32 2.020 -12.565 -2.150 1.00 0.00 N ATOM 0 H GLN A 32 0.076 -7.867 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.987 -9.818 -1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.855 -9.268 -0.392 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.004 -10.582 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.644 -11.215 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.810 -10.304 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.122 -12.155 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.594 -13.363 -1.879 1.00 0.00 H new ATOM 500 N TYR A 33 -1.407 -7.972 1.359 1.00 0.00 N ATOM 501 CA TYR A 33 -2.012 -7.589 2.672 1.00 0.00 C ATOM 502 C TYR A 33 -3.424 -7.050 2.418 1.00 0.00 C ATOM 503 O TYR A 33 -4.354 -7.330 3.151 1.00 0.00 O ATOM 504 CB TYR A 33 -1.094 -6.492 3.227 1.00 0.00 C ATOM 505 CG TYR A 33 -1.666 -5.959 4.511 1.00 0.00 C ATOM 506 CD1 TYR A 33 -1.485 -6.674 5.693 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.387 -4.761 4.515 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.022 -6.196 6.887 1.00 0.00 C ATOM 509 CE2 TYR A 33 -2.925 -4.277 5.710 1.00 0.00 C ATOM 510 CZ TYR A 33 -2.743 -4.995 6.900 1.00 0.00 C ATOM 511 OH TYR A 33 -3.276 -4.521 8.081 1.00 0.00 O ATOM 0 H TYR A 33 -0.583 -7.435 1.090 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.096 -8.421 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.095 -6.893 3.400 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.992 -5.686 2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.928 -7.599 5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.528 -4.211 3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.882 -6.752 7.802 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.480 -3.351 5.717 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.744 -3.677 7.913 1.00 0.00 H new ATOM 521 N ILE A 34 -3.578 -6.290 1.367 1.00 0.00 N ATOM 522 CA ILE A 34 -4.919 -5.728 1.021 1.00 0.00 C ATOM 523 C ILE A 34 -5.851 -6.867 0.591 1.00 0.00 C ATOM 524 O ILE A 34 -7.055 -6.796 0.758 1.00 0.00 O ATOM 525 CB ILE A 34 -4.653 -4.771 -0.150 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.676 -3.660 0.308 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.977 -4.175 -0.663 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.399 -2.567 1.105 1.00 0.00 C ATOM 0 H ILE A 34 -2.827 -6.032 0.727 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.396 -5.217 1.858 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.196 -5.318 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.888 -4.097 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.193 -3.217 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.774 -3.498 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.631 -4.979 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.465 -3.625 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.682 -1.805 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.170 -2.112 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.860 -3.006 1.990 1.00 0.00 H new ATOM 540 N ASN A 35 -5.295 -7.918 0.037 1.00 0.00 N ATOM 541 CA ASN A 35 -6.132 -9.074 -0.411 1.00 0.00 C ATOM 542 C ASN A 35 -6.906 -9.660 0.774 1.00 0.00 C ATOM 543 O ASN A 35 -7.982 -10.206 0.614 1.00 0.00 O ATOM 544 CB ASN A 35 -5.137 -10.101 -0.958 1.00 0.00 C ATOM 545 CG ASN A 35 -5.897 -11.213 -1.683 1.00 0.00 C ATOM 546 OD1 ASN A 35 -6.261 -11.067 -2.833 1.00 0.00 O ATOM 547 ND2 ASN A 35 -6.155 -12.327 -1.054 1.00 0.00 N ATOM 0 H ASN A 35 -4.293 -8.024 -0.124 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.868 -8.781 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.439 -9.618 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.547 -10.521 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.662 -13.075 -1.528 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.850 -12.450 -0.089 1.00 0.00 H new ATOM 554 N ASP A 36 -6.365 -9.547 1.960 1.00 0.00 N ATOM 555 CA ASP A 36 -7.063 -10.094 3.164 1.00 0.00 C ATOM 556 C ASP A 36 -8.168 -9.134 3.613 1.00 0.00 C ATOM 557 O ASP A 36 -9.305 -9.528 3.796 1.00 0.00 O ATOM 558 CB ASP A 36 -5.979 -10.205 4.238 1.00 0.00 C ATOM 559 CG ASP A 36 -6.217 -11.463 5.076 1.00 0.00 C ATOM 560 OD1 ASP A 36 -7.370 -11.780 5.317 1.00 0.00 O ATOM 561 OD2 ASP A 36 -5.243 -12.087 5.462 1.00 0.00 O ATOM 0 H ASP A 36 -5.468 -9.099 2.148 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.537 -11.055 2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.994 -10.246 3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.993 -9.322 4.877 1.00 0.00 H new ATOM 566 N ASN A 37 -7.839 -7.880 3.791 1.00 0.00 N ATOM 567 CA ASN A 37 -8.868 -6.886 4.229 1.00 0.00 C ATOM 568 C ASN A 37 -9.978 -6.783 3.180 1.00 0.00 C ATOM 569 O ASN A 37 -11.133 -6.583 3.505 1.00 0.00 O ATOM 570 CB ASN A 37 -8.121 -5.555 4.351 1.00 0.00 C ATOM 571 CG ASN A 37 -7.018 -5.682 5.404 1.00 0.00 C ATOM 572 OD1 ASN A 37 -6.109 -6.473 5.255 1.00 0.00 O ATOM 573 ND2 ASN A 37 -7.061 -4.931 6.470 1.00 0.00 N ATOM 0 H ASN A 37 -6.903 -7.500 3.652 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.340 -7.171 5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.690 -5.279 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.814 -4.761 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.331 -5.008 7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.825 -4.266 6.595 1.00 0.00 H new ATOM 580 N GLY A 38 -9.632 -6.919 1.925 1.00 0.00 N ATOM 581 CA GLY A 38 -10.659 -6.833 0.845 1.00 0.00 C ATOM 582 C GLY A 38 -10.841 -5.373 0.426 1.00 0.00 C ATOM 583 O GLY A 38 -11.929 -4.949 0.086 1.00 0.00 O ATOM 0 H GLY A 38 -8.679 -7.086 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.351 -7.432 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.606 -7.242 1.196 1.00 0.00 H new ATOM 587 N ILE A 39 -9.782 -4.604 0.447 1.00 0.00 N ATOM 588 CA ILE A 39 -9.886 -3.167 0.049 1.00 0.00 C ATOM 589 C ILE A 39 -8.985 -2.889 -1.159 1.00 0.00 C ATOM 590 O ILE A 39 -7.934 -2.290 -1.034 1.00 0.00 O ATOM 591 CB ILE A 39 -9.411 -2.375 1.275 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.295 -2.706 2.491 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.486 -0.872 0.982 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.761 -2.357 2.199 1.00 0.00 C ATOM 0 H ILE A 39 -8.849 -4.909 0.723 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.900 -2.890 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.380 -2.651 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.208 -3.765 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.949 -2.150 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.148 -0.314 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.848 -0.635 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.515 -0.597 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.372 -2.597 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.845 -1.293 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.108 -2.933 1.341 1.00 0.00 H new ATOM 606 N ASP A 40 -9.393 -3.318 -2.326 1.00 0.00 N ATOM 607 CA ASP A 40 -8.567 -3.080 -3.550 1.00 0.00 C ATOM 608 C ASP A 40 -9.363 -2.262 -4.572 1.00 0.00 C ATOM 609 O ASP A 40 -10.376 -2.707 -5.079 1.00 0.00 O ATOM 610 CB ASP A 40 -8.245 -4.475 -4.099 1.00 0.00 C ATOM 611 CG ASP A 40 -9.542 -5.234 -4.403 1.00 0.00 C ATOM 612 OD1 ASP A 40 -10.143 -5.737 -3.469 1.00 0.00 O ATOM 613 OD2 ASP A 40 -9.909 -5.297 -5.565 1.00 0.00 O ATOM 0 H ASP A 40 -10.264 -3.824 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.660 -2.517 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.645 -4.388 -5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.650 -5.031 -3.374 1.00 0.00 H new ATOM 618 N GLY A 41 -8.912 -1.071 -4.874 1.00 0.00 N ATOM 619 CA GLY A 41 -9.640 -0.219 -5.860 1.00 0.00 C ATOM 620 C GLY A 41 -8.641 0.620 -6.659 1.00 0.00 C ATOM 621 O GLY A 41 -8.231 0.244 -7.741 1.00 0.00 O ATOM 0 H GLY A 41 -8.070 -0.652 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.224 -0.846 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.343 0.433 -5.342 1.00 0.00 H new ATOM 625 N GLU A 42 -8.253 1.756 -6.136 1.00 0.00 N ATOM 626 CA GLU A 42 -7.284 2.630 -6.866 1.00 0.00 C ATOM 627 C GLU A 42 -6.152 3.071 -5.935 1.00 0.00 C ATOM 628 O GLU A 42 -6.382 3.718 -4.930 1.00 0.00 O ATOM 629 CB GLU A 42 -8.108 3.842 -7.317 1.00 0.00 C ATOM 630 CG GLU A 42 -8.401 3.740 -8.815 1.00 0.00 C ATOM 631 CD GLU A 42 -9.784 4.327 -9.107 1.00 0.00 C ATOM 632 OE1 GLU A 42 -10.700 4.034 -8.356 1.00 0.00 O ATOM 633 OE2 GLU A 42 -9.903 5.058 -10.076 1.00 0.00 O ATOM 0 H GLU A 42 -8.566 2.116 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.818 2.113 -7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.042 3.887 -6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.564 4.762 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.640 4.276 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.362 2.698 -9.134 1.00 0.00 H new ATOM 640 N TRP A 43 -4.932 2.732 -6.269 1.00 0.00 N ATOM 641 CA TRP A 43 -3.779 3.137 -5.413 1.00 0.00 C ATOM 642 C TRP A 43 -3.127 4.395 -5.990 1.00 0.00 C ATOM 643 O TRP A 43 -3.336 4.739 -7.138 1.00 0.00 O ATOM 644 CB TRP A 43 -2.776 1.980 -5.477 1.00 0.00 C ATOM 645 CG TRP A 43 -3.274 0.764 -4.755 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.566 0.371 -4.620 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.477 -0.235 -4.071 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.598 -0.818 -3.920 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.336 -1.225 -3.549 1.00 0.00 C ATOM 650 CE3 TRP A 43 -1.099 -0.372 -3.859 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.844 -2.317 -2.841 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.598 -1.469 -3.141 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.468 -2.438 -2.634 1.00 0.00 C ATOM 0 H TRP A 43 -4.686 2.192 -7.099 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.096 3.347 -4.391 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.580 1.728 -6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.828 2.297 -5.042 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.427 0.901 -4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.452 -1.332 -3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.419 0.370 -4.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.521 -3.065 -2.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.466 -1.565 -2.979 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.077 -3.280 -2.082 1.00 0.00 H new ATOM 664 N THR A 44 -2.320 5.064 -5.211 1.00 0.00 N ATOM 665 CA THR A 44 -1.623 6.286 -5.713 1.00 0.00 C ATOM 666 C THR A 44 -0.284 6.438 -4.993 1.00 0.00 C ATOM 667 O THR A 44 -0.208 6.347 -3.782 1.00 0.00 O ATOM 668 CB THR A 44 -2.542 7.467 -5.393 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.724 7.561 -3.989 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.897 7.274 -6.077 1.00 0.00 C ATOM 0 H THR A 44 -2.112 4.816 -4.244 1.00 0.00 H new ATOM 0 HA THR A 44 -1.422 6.230 -6.783 1.00 0.00 H new ATOM 0 HB THR A 44 -2.085 8.386 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.312 8.318 -3.785 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.546 8.119 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.754 7.212 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.358 6.353 -5.719 1.00 0.00 H new ATOM 678 N TYR A 45 0.768 6.662 -5.731 1.00 0.00 N ATOM 679 CA TYR A 45 2.111 6.816 -5.100 1.00 0.00 C ATOM 680 C TYR A 45 2.327 8.276 -4.681 1.00 0.00 C ATOM 681 O TYR A 45 1.618 9.163 -5.119 1.00 0.00 O ATOM 682 CB TYR A 45 3.107 6.412 -6.193 1.00 0.00 C ATOM 683 CG TYR A 45 4.521 6.543 -5.676 1.00 0.00 C ATOM 684 CD1 TYR A 45 4.933 5.800 -4.564 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.418 7.412 -6.308 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.243 5.924 -4.085 1.00 0.00 C ATOM 687 CE2 TYR A 45 6.727 7.537 -5.830 1.00 0.00 C ATOM 688 CZ TYR A 45 7.140 6.793 -4.718 1.00 0.00 C ATOM 689 OH TYR A 45 8.431 6.916 -4.246 1.00 0.00 O ATOM 0 H TYR A 45 0.756 6.745 -6.748 1.00 0.00 H new ATOM 0 HA TYR A 45 2.225 6.208 -4.203 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.919 5.385 -6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.972 7.043 -7.071 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.240 5.131 -4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.099 7.986 -7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.561 5.350 -3.228 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.419 8.207 -6.319 1.00 0.00 H new ATOM 0 HH TYR A 45 8.922 7.559 -4.799 1.00 0.00 H new ATOM 699 N ASP A 46 3.304 8.531 -3.846 1.00 0.00 N ATOM 700 CA ASP A 46 3.572 9.937 -3.407 1.00 0.00 C ATOM 701 C ASP A 46 5.079 10.193 -3.364 1.00 0.00 C ATOM 702 O ASP A 46 5.823 9.465 -2.733 1.00 0.00 O ATOM 703 CB ASP A 46 2.974 10.064 -1.999 1.00 0.00 C ATOM 704 CG ASP A 46 1.496 9.656 -2.015 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.227 8.474 -1.877 1.00 0.00 O ATOM 706 OD2 ASP A 46 0.661 10.533 -2.165 1.00 0.00 O ATOM 0 H ASP A 46 3.927 7.828 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 46 3.133 10.662 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.526 9.433 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.072 11.090 -1.645 1.00 0.00 H new ATOM 711 N ASP A 47 5.532 11.228 -4.024 1.00 0.00 N ATOM 712 CA ASP A 47 6.994 11.545 -4.020 1.00 0.00 C ATOM 713 C ASP A 47 7.432 12.079 -2.645 1.00 0.00 C ATOM 714 O ASP A 47 8.609 12.250 -2.391 1.00 0.00 O ATOM 715 CB ASP A 47 7.174 12.620 -5.094 1.00 0.00 C ATOM 716 CG ASP A 47 8.658 12.963 -5.233 1.00 0.00 C ATOM 717 OD1 ASP A 47 9.164 13.673 -4.380 1.00 0.00 O ATOM 718 OD2 ASP A 47 9.263 12.510 -6.191 1.00 0.00 O ATOM 0 H ASP A 47 4.953 11.869 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 47 7.600 10.662 -4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.782 12.265 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.607 13.512 -4.828 1.00 0.00 H new ATOM 723 N ALA A 48 6.498 12.344 -1.758 1.00 0.00 N ATOM 724 CA ALA A 48 6.863 12.866 -0.401 1.00 0.00 C ATOM 725 C ALA A 48 7.844 11.917 0.295 1.00 0.00 C ATOM 726 O ALA A 48 9.007 12.227 0.471 1.00 0.00 O ATOM 727 CB ALA A 48 5.541 12.918 0.370 1.00 0.00 C ATOM 0 H ALA A 48 5.498 12.221 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 48 7.350 13.840 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.722 13.291 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.846 13.582 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.112 11.917 0.425 1.00 0.00 H new ATOM 733 N THR A 49 7.375 10.764 0.691 1.00 0.00 N ATOM 734 CA THR A 49 8.260 9.777 1.379 1.00 0.00 C ATOM 735 C THR A 49 8.013 8.379 0.808 1.00 0.00 C ATOM 736 O THR A 49 7.989 7.399 1.528 1.00 0.00 O ATOM 737 CB THR A 49 7.846 9.838 2.855 1.00 0.00 C ATOM 738 OG1 THR A 49 8.637 8.925 3.604 1.00 0.00 O ATOM 739 CG2 THR A 49 6.365 9.468 2.995 1.00 0.00 C ATOM 0 H THR A 49 6.409 10.461 0.567 1.00 0.00 H new ATOM 0 HA THR A 49 9.319 9.997 1.246 1.00 0.00 H new ATOM 0 HB THR A 49 7.999 10.849 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.696 8.073 3.124 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.076 9.513 4.045 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.759 10.170 2.422 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.205 8.458 2.618 1.00 0.00 H new ATOM 747 N LYS A 50 7.807 8.288 -0.482 1.00 0.00 N ATOM 748 CA LYS A 50 7.533 6.964 -1.127 1.00 0.00 C ATOM 749 C LYS A 50 6.323 6.294 -0.469 1.00 0.00 C ATOM 750 O LYS A 50 6.345 5.120 -0.151 1.00 0.00 O ATOM 751 CB LYS A 50 8.801 6.120 -0.930 1.00 0.00 C ATOM 752 CG LYS A 50 10.009 6.838 -1.552 1.00 0.00 C ATOM 753 CD LYS A 50 10.786 5.871 -2.458 1.00 0.00 C ATOM 754 CE LYS A 50 12.286 5.973 -2.164 1.00 0.00 C ATOM 755 NZ LYS A 50 12.663 7.357 -2.564 1.00 0.00 N ATOM 0 H LYS A 50 7.817 9.081 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 50 7.299 7.074 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.975 5.951 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.672 5.141 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.673 7.699 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.662 7.217 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.443 4.850 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.595 6.107 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.494 5.796 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.850 5.231 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.692 7.410 -2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.182 7.605 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.379 8.024 -1.818 1.00 0.00 H new ATOM 769 N THR A 51 5.266 7.040 -0.268 1.00 0.00 N ATOM 770 CA THR A 51 4.040 6.466 0.365 1.00 0.00 C ATOM 771 C THR A 51 3.157 5.828 -0.710 1.00 0.00 C ATOM 772 O THR A 51 3.568 5.665 -1.844 1.00 0.00 O ATOM 773 CB THR A 51 3.310 7.654 1.016 1.00 0.00 C ATOM 774 OG1 THR A 51 4.247 8.655 1.395 1.00 0.00 O ATOM 775 CG2 THR A 51 2.551 7.179 2.259 1.00 0.00 C ATOM 0 H THR A 51 5.200 8.027 -0.517 1.00 0.00 H new ATOM 0 HA THR A 51 4.281 5.696 1.098 1.00 0.00 H new ATOM 0 HB THR A 51 2.607 8.071 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.773 9.408 1.807 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.036 8.024 2.716 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.822 6.421 1.973 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.255 6.753 2.974 1.00 0.00 H new ATOM 783 N TRP A 52 1.949 5.468 -0.362 1.00 0.00 N ATOM 784 CA TRP A 52 1.032 4.840 -1.357 1.00 0.00 C ATOM 785 C TRP A 52 -0.427 5.037 -0.937 1.00 0.00 C ATOM 786 O TRP A 52 -0.723 5.755 0.000 1.00 0.00 O ATOM 787 CB TRP A 52 1.370 3.355 -1.327 1.00 0.00 C ATOM 788 CG TRP A 52 2.597 3.082 -2.129 1.00 0.00 C ATOM 789 CD1 TRP A 52 3.846 2.946 -1.632 1.00 0.00 C ATOM 790 CD2 TRP A 52 2.703 2.889 -3.560 1.00 0.00 C ATOM 791 NE1 TRP A 52 4.717 2.697 -2.679 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.055 2.652 -3.891 1.00 0.00 C ATOM 793 CE3 TRP A 52 1.757 2.906 -4.590 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.455 2.437 -5.210 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.150 2.689 -5.920 1.00 0.00 C ATOM 796 CH2 TRP A 52 3.498 2.456 -6.230 1.00 0.00 C ATOM 0 H TRP A 52 1.557 5.583 0.573 1.00 0.00 H new ATOM 0 HA TRP A 52 1.152 5.278 -2.348 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.522 3.031 -0.297 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.534 2.778 -1.722 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.120 3.019 -0.590 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.722 2.563 -2.569 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.717 3.087 -4.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.494 2.257 -5.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.411 2.701 -6.708 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.797 2.292 -7.255 1.00 0.00 H new ATOM 807 N THR A 53 -1.338 4.388 -1.621 1.00 0.00 N ATOM 808 CA THR A 53 -2.784 4.512 -1.266 1.00 0.00 C ATOM 809 C THR A 53 -3.567 3.316 -1.819 1.00 0.00 C ATOM 810 O THR A 53 -3.046 2.518 -2.575 1.00 0.00 O ATOM 811 CB THR A 53 -3.257 5.813 -1.920 1.00 0.00 C ATOM 812 OG1 THR A 53 -2.330 6.853 -1.642 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.631 6.196 -1.368 1.00 0.00 C ATOM 0 H THR A 53 -1.140 3.776 -2.413 1.00 0.00 H new ATOM 0 HA THR A 53 -2.940 4.526 -0.187 1.00 0.00 H new ATOM 0 HB THR A 53 -3.326 5.668 -2.998 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.402 7.547 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.965 7.122 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.345 5.402 -1.586 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.563 6.337 -0.289 1.00 0.00 H new ATOM 821 N VAL A 54 -4.812 3.184 -1.436 1.00 0.00 N ATOM 822 CA VAL A 54 -5.644 2.035 -1.924 1.00 0.00 C ATOM 823 C VAL A 54 -7.108 2.246 -1.508 1.00 0.00 C ATOM 824 O VAL A 54 -7.583 1.667 -0.551 1.00 0.00 O ATOM 825 CB VAL A 54 -5.036 0.771 -1.266 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.844 0.991 0.231 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.953 -0.443 -1.463 1.00 0.00 C ATOM 0 H VAL A 54 -5.292 3.824 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.638 1.942 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.074 0.583 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.416 0.094 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.171 1.833 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.808 1.203 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.505 -1.318 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.923 -0.244 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.084 -0.631 -2.529 1.00 0.00 H new ATOM 837 N THR A 55 -7.819 3.072 -2.232 1.00 0.00 N ATOM 838 CA THR A 55 -9.252 3.331 -1.897 1.00 0.00 C ATOM 839 C THR A 55 -10.140 2.239 -2.500 1.00 0.00 C ATOM 840 O THR A 55 -10.001 1.885 -3.655 1.00 0.00 O ATOM 841 CB THR A 55 -9.568 4.687 -2.529 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.481 5.577 -2.308 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.836 5.262 -1.897 1.00 0.00 C ATOM 0 H THR A 55 -7.468 3.580 -3.044 1.00 0.00 H new ATOM 0 HA THR A 55 -9.432 3.331 -0.822 1.00 0.00 H new ATOM 0 HB THR A 55 -9.723 4.561 -3.601 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.682 6.446 -2.714 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.061 6.229 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.669 4.580 -2.067 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.683 5.388 -0.825 1.00 0.00 H new ATOM 851 N GLU A 56 -11.050 1.706 -1.724 1.00 0.00 N ATOM 852 CA GLU A 56 -11.953 0.634 -2.249 1.00 0.00 C ATOM 853 C GLU A 56 -12.874 1.202 -3.331 1.00 0.00 C ATOM 854 O GLU A 56 -13.067 0.529 -4.331 1.00 0.00 O ATOM 855 CB GLU A 56 -12.770 0.166 -1.043 1.00 0.00 C ATOM 856 CG GLU A 56 -13.305 -1.243 -1.304 1.00 0.00 C ATOM 857 CD GLU A 56 -14.418 -1.180 -2.352 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.511 -0.768 -2.003 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.157 -1.546 -3.487 1.00 0.00 O ATOM 860 OXT GLU A 56 -13.371 2.300 -3.142 1.00 0.00 O ATOM 0 H GLU A 56 -11.207 1.966 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.395 -0.185 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.150 0.171 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.597 0.853 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.500 -1.891 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.686 -1.676 -0.379 1.00 0.00 H new