USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 50 THR OG1 : rot -80:sc= 1.25 USER MOD Set 1.2: A 52 THR OG1 : rot 64:sc= 0.467 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.466 USER MOD Set 2.2: A 54 THR OG1 : rot 127:sc= 0.623 USER MOD Single : A 2 THR OG1 : rot 30:sc= 0.424 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.44! C(o=-3.4!,f=-7.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 27:sc= 0.00508 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 28:sc= 0.214 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.08) USER MOD Single : A 34 TYR OH : rot 180:sc=-0.00969 USER MOD Single : A 36 ASN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0422 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.993 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.155 -12.471 5.614 1.00 0.00 N ATOM 21 CA THR A 2 -2.642 -11.382 4.714 1.00 0.00 C ATOM 22 C THR A 2 -1.782 -10.127 4.882 1.00 0.00 C ATOM 23 O THR A 2 -2.269 -9.016 4.788 1.00 0.00 O ATOM 24 CB THR A 2 -4.079 -11.109 5.162 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.797 -12.335 5.216 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.754 -10.161 4.169 1.00 0.00 C ATOM 0 HA THR A 2 -2.588 -11.664 3.663 1.00 0.00 H new ATOM 0 HB THR A 2 -4.071 -10.649 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.180 -13.066 5.430 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.778 -9.967 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.202 -9.222 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.764 -10.618 3.179 1.00 0.00 H new ATOM 34 N THR A 3 -0.507 -10.297 5.127 1.00 0.00 N ATOM 35 CA THR A 3 0.390 -9.114 5.298 1.00 0.00 C ATOM 36 C THR A 3 0.695 -8.485 3.937 1.00 0.00 C ATOM 37 O THR A 3 1.488 -8.998 3.172 1.00 0.00 O ATOM 38 CB THR A 3 1.670 -9.666 5.931 1.00 0.00 C ATOM 39 OG1 THR A 3 1.336 -10.422 7.087 1.00 0.00 O ATOM 40 CG2 THR A 3 2.589 -8.507 6.326 1.00 0.00 C ATOM 0 H THR A 3 -0.049 -11.204 5.216 1.00 0.00 H new ATOM 0 HA THR A 3 -0.065 -8.339 5.915 1.00 0.00 H new ATOM 0 HB THR A 3 2.184 -10.305 5.213 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.154 -10.778 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.500 -8.902 6.776 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.845 -7.927 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.078 -7.866 7.044 1.00 0.00 H new ATOM 48 N PHE A 4 0.068 -7.376 3.634 1.00 0.00 N ATOM 49 CA PHE A 4 0.314 -6.707 2.323 1.00 0.00 C ATOM 50 C PHE A 4 1.512 -5.764 2.430 1.00 0.00 C ATOM 51 O PHE A 4 1.689 -5.084 3.423 1.00 0.00 O ATOM 52 CB PHE A 4 -0.962 -5.919 2.033 1.00 0.00 C ATOM 53 CG PHE A 4 -2.059 -6.879 1.650 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.986 -7.574 0.438 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.145 -7.078 2.508 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.001 -8.470 0.083 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.159 -7.973 2.154 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.088 -8.670 0.942 1.00 0.00 C ATOM 0 H PHE A 4 -0.604 -6.906 4.240 1.00 0.00 H new ATOM 0 HA PHE A 4 0.540 -7.421 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.256 -5.343 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.788 -5.206 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.147 -7.419 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.200 -6.541 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.946 -9.006 -0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.998 -8.127 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.872 -9.362 0.670 1.00 0.00 H new ATOM 68 N LYS A 5 2.332 -5.722 1.413 1.00 0.00 N ATOM 69 CA LYS A 5 3.522 -4.824 1.445 1.00 0.00 C ATOM 70 C LYS A 5 3.305 -3.633 0.507 1.00 0.00 C ATOM 71 O LYS A 5 2.205 -3.403 0.037 1.00 0.00 O ATOM 72 CB LYS A 5 4.685 -5.689 0.958 1.00 0.00 C ATOM 73 CG LYS A 5 4.916 -6.847 1.938 1.00 0.00 C ATOM 74 CD LYS A 5 4.355 -8.144 1.349 1.00 0.00 C ATOM 75 CE LYS A 5 5.068 -9.342 1.981 1.00 0.00 C ATOM 76 NZ LYS A 5 4.969 -10.428 0.965 1.00 0.00 N ATOM 0 H LYS A 5 2.228 -6.272 0.560 1.00 0.00 H new ATOM 0 HA LYS A 5 3.709 -4.417 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.469 -6.079 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.589 -5.086 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.982 -6.959 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.433 -6.631 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.283 -8.206 1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.493 -8.154 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.108 -9.108 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.595 -9.634 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.436 -11.284 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.968 -10.634 0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.434 -10.124 0.086 1.00 0.00 H new ATOM 90 N LEU A 6 4.339 -2.877 0.231 1.00 0.00 N ATOM 91 CA LEU A 6 4.184 -1.703 -0.678 1.00 0.00 C ATOM 92 C LEU A 6 5.554 -1.232 -1.169 1.00 0.00 C ATOM 93 O LEU A 6 6.262 -0.529 -0.473 1.00 0.00 O ATOM 94 CB LEU A 6 3.510 -0.626 0.182 1.00 0.00 C ATOM 95 CG LEU A 6 3.325 0.665 -0.628 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.058 0.560 -1.477 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.196 1.851 0.330 1.00 0.00 C ATOM 0 H LEU A 6 5.280 -3.023 0.595 1.00 0.00 H new ATOM 0 HA LEU A 6 3.597 -1.937 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.542 -0.985 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.116 -0.425 1.066 1.00 0.00 H new ATOM 0 HG LEU A 6 4.187 0.811 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.928 1.477 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.146 -0.286 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.195 0.414 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.065 2.769 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.333 1.702 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.098 1.928 0.937 1.00 0.00 H new ATOM 109 N ILE A 7 5.915 -1.593 -2.373 1.00 0.00 N ATOM 110 CA ILE A 7 7.220 -1.148 -2.926 1.00 0.00 C ATOM 111 C ILE A 7 7.033 0.247 -3.503 1.00 0.00 C ATOM 112 O ILE A 7 6.077 0.505 -4.215 1.00 0.00 O ATOM 113 CB ILE A 7 7.568 -2.153 -4.026 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.746 -3.542 -3.407 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.871 -1.729 -4.710 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.314 -4.611 -4.412 1.00 0.00 C ATOM 0 H ILE A 7 5.358 -2.178 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 7 8.014 -1.108 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 7 6.764 -2.182 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.788 -3.694 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.153 -3.624 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.120 -2.444 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.746 -0.739 -5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.676 -1.702 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.441 -5.599 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.266 -4.463 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.926 -4.534 -5.311 1.00 0.00 H new ATOM 128 N ILE A 8 7.913 1.153 -3.187 1.00 0.00 N ATOM 129 CA ILE A 8 7.747 2.539 -3.709 1.00 0.00 C ATOM 130 C ILE A 8 8.703 2.779 -4.882 1.00 0.00 C ATOM 131 O ILE A 8 9.908 2.693 -4.735 1.00 0.00 O ATOM 132 CB ILE A 8 8.074 3.501 -2.558 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.542 2.961 -1.216 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.432 4.860 -2.852 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.016 2.832 -1.250 1.00 0.00 C ATOM 0 H ILE A 8 8.731 0.999 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 8 6.730 2.696 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 8 9.157 3.600 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.989 1.989 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.837 3.629 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.658 5.552 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.829 5.255 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.352 4.741 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.662 2.449 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.572 3.810 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.727 2.145 -2.045 1.00 0.00 H new ATOM 147 N ASN A 9 8.176 3.076 -6.043 1.00 0.00 N ATOM 148 CA ASN A 9 9.059 3.320 -7.231 1.00 0.00 C ATOM 149 C ASN A 9 9.839 4.625 -7.054 1.00 0.00 C ATOM 150 O ASN A 9 10.910 4.799 -7.605 1.00 0.00 O ATOM 151 CB ASN A 9 8.136 3.431 -8.456 1.00 0.00 C ATOM 152 CG ASN A 9 7.105 2.296 -8.479 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.407 1.178 -8.110 1.00 0.00 O ATOM 154 ND2 ASN A 9 5.893 2.543 -8.901 1.00 0.00 N ATOM 0 H ASN A 9 7.175 3.161 -6.222 1.00 0.00 H new ATOM 0 HA ASN A 9 9.780 2.511 -7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.622 4.392 -8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.733 3.402 -9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.198 1.797 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.642 3.482 -9.210 1.00 0.00 H new ATOM 161 N GLY A 10 9.301 5.541 -6.298 1.00 0.00 N ATOM 162 CA GLY A 10 9.989 6.849 -6.081 1.00 0.00 C ATOM 163 C GLY A 10 10.955 6.740 -4.901 1.00 0.00 C ATOM 164 O GLY A 10 11.326 5.656 -4.490 1.00 0.00 O ATOM 0 H GLY A 10 8.407 5.441 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.532 7.138 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.253 7.629 -5.889 1.00 0.00 H new ATOM 168 N LYS A 11 11.364 7.858 -4.354 1.00 0.00 N ATOM 169 CA LYS A 11 12.309 7.830 -3.196 1.00 0.00 C ATOM 170 C LYS A 11 11.561 8.096 -1.884 1.00 0.00 C ATOM 171 O LYS A 11 12.005 7.703 -0.821 1.00 0.00 O ATOM 172 CB LYS A 11 13.335 8.935 -3.479 1.00 0.00 C ATOM 173 CG LYS A 11 12.633 10.291 -3.614 1.00 0.00 C ATOM 174 CD LYS A 11 13.649 11.412 -3.385 1.00 0.00 C ATOM 175 CE LYS A 11 13.191 12.677 -4.115 1.00 0.00 C ATOM 176 NZ LYS A 11 13.947 12.675 -5.399 1.00 0.00 N ATOM 0 H LYS A 11 11.084 8.790 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 11 12.790 6.858 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.067 8.976 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.881 8.708 -4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.187 10.386 -4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.821 10.367 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.751 11.612 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.631 11.106 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.115 12.664 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.408 13.571 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.687 13.513 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.968 12.694 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.715 11.816 -5.937 1.00 0.00 H new ATOM 190 N THR A 12 10.428 8.755 -1.949 1.00 0.00 N ATOM 191 CA THR A 12 9.646 9.041 -0.702 1.00 0.00 C ATOM 192 C THR A 12 9.278 7.734 -0.005 1.00 0.00 C ATOM 193 O THR A 12 8.690 6.858 -0.598 1.00 0.00 O ATOM 194 CB THR A 12 8.388 9.775 -1.171 1.00 0.00 C ATOM 195 OG1 THR A 12 7.670 8.950 -2.077 1.00 0.00 O ATOM 196 CG2 THR A 12 8.785 11.077 -1.867 1.00 0.00 C ATOM 0 H THR A 12 10.011 9.107 -2.811 1.00 0.00 H new ATOM 0 HA THR A 12 10.214 9.636 0.013 1.00 0.00 H new ATOM 0 HB THR A 12 7.758 10.003 -0.311 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.858 8.008 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.888 11.599 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.335 11.709 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.415 10.852 -2.727 1.00 0.00 H new ATOM 204 N LEU A 13 9.637 7.596 1.250 1.00 0.00 N ATOM 205 CA LEU A 13 9.328 6.339 2.007 1.00 0.00 C ATOM 206 C LEU A 13 9.791 5.102 1.198 1.00 0.00 C ATOM 207 O LEU A 13 9.257 4.022 1.324 1.00 0.00 O ATOM 208 CB LEU A 13 7.791 6.411 2.278 1.00 0.00 C ATOM 209 CG LEU A 13 6.954 5.517 1.346 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.688 4.159 2.014 1.00 0.00 C ATOM 211 CD2 LEU A 13 5.614 6.199 1.061 1.00 0.00 C ATOM 0 H LEU A 13 10.135 8.306 1.787 1.00 0.00 H new ATOM 0 HA LEU A 13 9.859 6.244 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.600 6.122 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.460 7.444 2.169 1.00 0.00 H new ATOM 0 HG LEU A 13 7.503 5.362 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.095 3.535 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.637 3.665 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.143 4.312 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.018 5.569 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.078 6.353 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.790 7.162 0.581 1.00 0.00 H new ATOM 223 N LYS A 14 10.792 5.274 0.363 1.00 0.00 N ATOM 224 CA LYS A 14 11.313 4.142 -0.477 1.00 0.00 C ATOM 225 C LYS A 14 11.507 2.860 0.347 1.00 0.00 C ATOM 226 O LYS A 14 12.204 2.854 1.345 1.00 0.00 O ATOM 227 CB LYS A 14 12.657 4.633 -1.025 1.00 0.00 C ATOM 228 CG LYS A 14 13.606 4.965 0.131 1.00 0.00 C ATOM 229 CD LYS A 14 14.731 5.873 -0.374 1.00 0.00 C ATOM 230 CE LYS A 14 15.613 5.098 -1.358 1.00 0.00 C ATOM 231 NZ LYS A 14 16.789 4.662 -0.556 1.00 0.00 N ATOM 0 H LYS A 14 11.276 6.161 0.226 1.00 0.00 H new ATOM 0 HA LYS A 14 10.609 3.885 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.101 3.868 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.505 5.516 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.059 5.459 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.024 4.048 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.311 6.753 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.330 6.228 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.081 4.243 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.917 5.726 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.441 4.123 -1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.279 5.497 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.469 4.060 0.230 1.00 0.00 H new ATOM 245 N GLY A 15 10.896 1.778 -0.072 1.00 0.00 N ATOM 246 CA GLY A 15 11.043 0.497 0.678 1.00 0.00 C ATOM 247 C GLY A 15 9.801 -0.375 0.474 1.00 0.00 C ATOM 248 O GLY A 15 8.996 -0.133 -0.408 1.00 0.00 O ATOM 0 H GLY A 15 10.303 1.729 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.931 -0.035 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.183 0.702 1.739 1.00 0.00 H new ATOM 252 N GLU A 16 9.651 -1.393 1.282 1.00 0.00 N ATOM 253 CA GLU A 16 8.477 -2.306 1.156 1.00 0.00 C ATOM 254 C GLU A 16 7.850 -2.550 2.535 1.00 0.00 C ATOM 255 O GLU A 16 7.894 -3.646 3.064 1.00 0.00 O ATOM 256 CB GLU A 16 9.069 -3.597 0.593 1.00 0.00 C ATOM 257 CG GLU A 16 7.958 -4.625 0.375 1.00 0.00 C ATOM 258 CD GLU A 16 8.455 -5.719 -0.571 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.308 -6.488 -0.160 1.00 0.00 O ATOM 260 OE2 GLU A 16 7.973 -5.769 -1.691 1.00 0.00 O ATOM 0 H GLU A 16 10.300 -1.632 2.032 1.00 0.00 H new ATOM 0 HA GLU A 16 7.688 -1.901 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.579 -3.394 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.816 -3.995 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.659 -5.061 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.076 -4.140 -0.044 1.00 0.00 H new ATOM 267 N ILE A 17 7.265 -1.532 3.119 1.00 0.00 N ATOM 268 CA ILE A 17 6.629 -1.694 4.467 1.00 0.00 C ATOM 269 C ILE A 17 5.518 -2.747 4.395 1.00 0.00 C ATOM 270 O ILE A 17 4.759 -2.791 3.447 1.00 0.00 O ATOM 271 CB ILE A 17 6.051 -0.316 4.814 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.178 0.721 4.847 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.377 -0.370 6.188 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.641 2.072 4.371 1.00 0.00 C ATOM 0 H ILE A 17 7.200 -0.595 2.721 1.00 0.00 H new ATOM 0 HA ILE A 17 7.340 -2.029 5.222 1.00 0.00 H new ATOM 0 HB ILE A 17 5.317 -0.036 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.575 0.811 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.001 0.400 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.968 0.610 6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.572 -1.105 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.111 -0.654 6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.442 2.811 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.265 1.976 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.832 2.394 5.027 1.00 0.00 H new ATOM 286 N THR A 18 5.427 -3.595 5.388 1.00 0.00 N ATOM 287 CA THR A 18 4.373 -4.655 5.378 1.00 0.00 C ATOM 288 C THR A 18 3.314 -4.380 6.449 1.00 0.00 C ATOM 289 O THR A 18 3.624 -4.000 7.561 1.00 0.00 O ATOM 290 CB THR A 18 5.120 -5.955 5.691 1.00 0.00 C ATOM 291 OG1 THR A 18 5.762 -5.835 6.953 1.00 0.00 O ATOM 292 CG2 THR A 18 6.170 -6.229 4.608 1.00 0.00 C ATOM 0 H THR A 18 6.037 -3.599 6.205 1.00 0.00 H new ATOM 0 HA THR A 18 3.848 -4.697 4.424 1.00 0.00 H new ATOM 0 HB THR A 18 4.409 -6.781 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.262 -5.208 7.516 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.697 -7.155 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.678 -6.322 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.883 -5.405 4.575 1.00 0.00 H new ATOM 300 N ILE A 19 2.064 -4.584 6.116 1.00 0.00 N ATOM 301 CA ILE A 19 0.970 -4.352 7.109 1.00 0.00 C ATOM 302 C ILE A 19 -0.145 -5.387 6.918 1.00 0.00 C ATOM 303 O ILE A 19 -0.468 -5.764 5.807 1.00 0.00 O ATOM 304 CB ILE A 19 0.454 -2.935 6.831 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.062 -2.836 5.388 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.591 -1.931 7.034 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.582 -3.018 5.374 1.00 0.00 C ATOM 0 H ILE A 19 1.753 -4.902 5.198 1.00 0.00 H new ATOM 0 HA ILE A 19 1.322 -4.451 8.136 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.362 -2.712 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.203 -1.868 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.412 -3.598 4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.226 -0.923 6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.951 -1.992 8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.407 -2.162 6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.947 -2.948 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.835 -3.996 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.047 -2.240 5.979 1.00 0.00 H new ATOM 319 N GLU A 20 -0.732 -5.846 7.995 1.00 0.00 N ATOM 320 CA GLU A 20 -1.829 -6.858 7.882 1.00 0.00 C ATOM 321 C GLU A 20 -3.182 -6.156 7.725 1.00 0.00 C ATOM 322 O GLU A 20 -3.342 -5.010 8.103 1.00 0.00 O ATOM 323 CB GLU A 20 -1.779 -7.664 9.186 1.00 0.00 C ATOM 324 CG GLU A 20 -1.980 -6.737 10.393 1.00 0.00 C ATOM 325 CD GLU A 20 -2.873 -7.423 11.430 1.00 0.00 C ATOM 326 OE1 GLU A 20 -3.911 -7.936 11.043 1.00 0.00 O ATOM 327 OE2 GLU A 20 -2.504 -7.425 12.593 1.00 0.00 O ATOM 0 H GLU A 20 -0.500 -5.564 8.947 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.705 -7.502 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.552 -8.433 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.821 -8.177 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.016 -6.489 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.434 -5.800 10.072 1.00 0.00 H new ATOM 334 N ALA A 21 -4.153 -6.835 7.166 1.00 0.00 N ATOM 335 CA ALA A 21 -5.498 -6.210 6.980 1.00 0.00 C ATOM 336 C ALA A 21 -6.531 -7.267 6.576 1.00 0.00 C ATOM 337 O ALA A 21 -6.189 -8.378 6.220 1.00 0.00 O ATOM 338 CB ALA A 21 -5.308 -5.194 5.853 1.00 0.00 C ATOM 0 H ALA A 21 -4.072 -7.795 6.831 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.864 -5.746 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.254 -4.690 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.560 -4.459 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.975 -5.709 4.952 1.00 0.00 H new ATOM 344 N VAL A 22 -7.795 -6.922 6.629 1.00 0.00 N ATOM 345 CA VAL A 22 -8.870 -7.893 6.250 1.00 0.00 C ATOM 346 C VAL A 22 -8.618 -8.448 4.841 1.00 0.00 C ATOM 347 O VAL A 22 -8.821 -9.618 4.574 1.00 0.00 O ATOM 348 CB VAL A 22 -10.175 -7.082 6.295 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.103 -5.914 5.303 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.355 -7.988 5.929 1.00 0.00 C ATOM 0 H VAL A 22 -8.130 -6.004 6.920 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.905 -8.752 6.920 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.313 -6.688 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.032 -5.345 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.268 -5.264 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.957 -6.301 4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.280 -7.412 5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.210 -8.386 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.416 -8.812 6.640 1.00 0.00 H new ATOM 360 N ASP A 23 -8.172 -7.608 3.947 1.00 0.00 N ATOM 361 CA ASP A 23 -7.889 -8.050 2.553 1.00 0.00 C ATOM 362 C ASP A 23 -6.991 -7.015 1.879 1.00 0.00 C ATOM 363 O ASP A 23 -6.700 -5.981 2.452 1.00 0.00 O ATOM 364 CB ASP A 23 -9.252 -8.117 1.864 1.00 0.00 C ATOM 365 CG ASP A 23 -9.801 -9.542 1.959 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.295 -10.398 1.252 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.717 -9.754 2.736 1.00 0.00 O ATOM 0 H ASP A 23 -7.989 -6.621 4.127 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.379 -9.012 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.944 -7.417 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.158 -7.821 0.819 1.00 0.00 H new ATOM 372 N ALA A 24 -6.541 -7.278 0.677 1.00 0.00 N ATOM 373 CA ALA A 24 -5.651 -6.292 -0.008 1.00 0.00 C ATOM 374 C ALA A 24 -6.397 -4.970 -0.207 1.00 0.00 C ATOM 375 O ALA A 24 -5.803 -3.908 -0.225 1.00 0.00 O ATOM 376 CB ALA A 24 -5.286 -6.918 -1.354 1.00 0.00 C ATOM 0 H ALA A 24 -6.749 -8.123 0.146 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.757 -6.074 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.633 -6.241 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.771 -7.864 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.194 -7.096 -1.931 1.00 0.00 H new ATOM 382 N ALA A 25 -7.702 -5.027 -0.342 1.00 0.00 N ATOM 383 CA ALA A 25 -8.502 -3.779 -0.526 1.00 0.00 C ATOM 384 C ALA A 25 -8.242 -2.824 0.643 1.00 0.00 C ATOM 385 O ALA A 25 -8.013 -1.643 0.457 1.00 0.00 O ATOM 386 CB ALA A 25 -9.965 -4.229 -0.537 1.00 0.00 C ATOM 0 H ALA A 25 -8.247 -5.889 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.241 -3.251 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.612 -3.361 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.124 -4.928 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.202 -4.718 0.408 1.00 0.00 H new ATOM 392 N GLU A 26 -8.257 -3.341 1.845 1.00 0.00 N ATOM 393 CA GLU A 26 -7.989 -2.484 3.036 1.00 0.00 C ATOM 394 C GLU A 26 -6.515 -2.080 3.038 1.00 0.00 C ATOM 395 O GLU A 26 -6.177 -0.938 3.283 1.00 0.00 O ATOM 396 CB GLU A 26 -8.314 -3.360 4.247 1.00 0.00 C ATOM 397 CG GLU A 26 -8.129 -2.548 5.532 1.00 0.00 C ATOM 398 CD GLU A 26 -9.478 -1.978 5.974 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.027 -1.171 5.240 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.938 -2.356 7.038 1.00 0.00 O ATOM 0 H GLU A 26 -8.444 -4.322 2.052 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.582 -1.569 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.339 -3.725 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.664 -4.235 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.714 -3.180 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.418 -1.739 5.365 1.00 0.00 H new ATOM 407 N ALA A 27 -5.636 -3.011 2.744 1.00 0.00 N ATOM 408 CA ALA A 27 -4.173 -2.683 2.703 1.00 0.00 C ATOM 409 C ALA A 27 -3.934 -1.531 1.723 1.00 0.00 C ATOM 410 O ALA A 27 -3.207 -0.600 2.010 1.00 0.00 O ATOM 411 CB ALA A 27 -3.478 -3.951 2.202 1.00 0.00 C ATOM 0 H ALA A 27 -5.868 -3.981 2.531 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.794 -2.377 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.403 -3.780 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.681 -4.773 2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.855 -4.205 1.211 1.00 0.00 H new ATOM 417 N GLU A 28 -4.564 -1.587 0.572 1.00 0.00 N ATOM 418 CA GLU A 28 -4.399 -0.491 -0.431 1.00 0.00 C ATOM 419 C GLU A 28 -4.823 0.839 0.196 1.00 0.00 C ATOM 420 O GLU A 28 -4.188 1.851 -0.005 1.00 0.00 O ATOM 421 CB GLU A 28 -5.321 -0.861 -1.597 1.00 0.00 C ATOM 422 CG GLU A 28 -4.869 -0.128 -2.868 1.00 0.00 C ATOM 423 CD GLU A 28 -5.733 -0.577 -4.048 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.946 -0.537 -3.919 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.168 -0.956 -5.061 1.00 0.00 O ATOM 0 H GLU A 28 -5.184 -2.345 0.286 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.367 -0.381 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.301 -1.938 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.350 -0.594 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.955 0.950 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.819 -0.341 -3.070 1.00 0.00 H new ATOM 432 N LYS A 29 -5.880 0.832 0.976 1.00 0.00 N ATOM 433 CA LYS A 29 -6.329 2.093 1.641 1.00 0.00 C ATOM 434 C LYS A 29 -5.299 2.499 2.698 1.00 0.00 C ATOM 435 O LYS A 29 -4.819 3.620 2.720 1.00 0.00 O ATOM 436 CB LYS A 29 -7.671 1.752 2.298 1.00 0.00 C ATOM 437 CG LYS A 29 -8.729 1.480 1.218 1.00 0.00 C ATOM 438 CD LYS A 29 -9.951 2.375 1.449 1.00 0.00 C ATOM 439 CE LYS A 29 -9.801 3.664 0.636 1.00 0.00 C ATOM 440 NZ LYS A 29 -11.195 4.117 0.375 1.00 0.00 N ATOM 0 H LYS A 29 -6.448 0.009 1.179 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.430 2.923 0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.560 0.877 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.993 2.575 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.310 1.670 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.025 0.431 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.860 1.851 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.048 2.610 2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.238 4.416 1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.263 3.484 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.176 4.997 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.704 3.383 -0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.680 4.287 1.279 1.00 0.00 H new ATOM 454 N ILE A 30 -4.934 1.579 3.563 1.00 0.00 N ATOM 455 CA ILE A 30 -3.911 1.889 4.612 1.00 0.00 C ATOM 456 C ILE A 30 -2.628 2.363 3.929 1.00 0.00 C ATOM 457 O ILE A 30 -1.972 3.284 4.377 1.00 0.00 O ATOM 458 CB ILE A 30 -3.671 0.567 5.355 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.970 0.108 6.025 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.595 0.763 6.427 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.928 -1.408 6.230 1.00 0.00 C ATOM 0 H ILE A 30 -5.301 0.628 3.586 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.234 2.672 5.298 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.341 -0.187 4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.096 0.612 6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.826 0.379 5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.428 -0.178 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.666 1.085 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.923 1.521 7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.852 -1.736 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.822 -1.903 5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.080 -1.666 6.865 1.00 0.00 H new ATOM 473 N PHE A 31 -2.291 1.747 2.827 1.00 0.00 N ATOM 474 CA PHE A 31 -1.075 2.160 2.076 1.00 0.00 C ATOM 475 C PHE A 31 -1.360 3.486 1.373 1.00 0.00 C ATOM 476 O PHE A 31 -0.511 4.351 1.287 1.00 0.00 O ATOM 477 CB PHE A 31 -0.830 1.045 1.055 1.00 0.00 C ATOM 478 CG PHE A 31 -0.017 -0.057 1.691 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.194 0.243 2.325 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.475 -1.378 1.645 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.948 -0.778 2.915 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.280 -2.401 2.235 1.00 0.00 C ATOM 483 CZ PHE A 31 1.491 -2.099 2.870 1.00 0.00 C ATOM 0 H PHE A 31 -2.810 0.972 2.415 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.205 2.302 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.781 0.649 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.305 1.443 0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.547 1.263 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.409 -1.609 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.882 -0.546 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.072 -3.421 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.073 -2.887 3.325 1.00 0.00 H new ATOM 493 N LYS A 32 -2.563 3.650 0.877 1.00 0.00 N ATOM 494 CA LYS A 32 -2.931 4.912 0.181 1.00 0.00 C ATOM 495 C LYS A 32 -3.306 6.014 1.182 1.00 0.00 C ATOM 496 O LYS A 32 -3.730 7.086 0.792 1.00 0.00 O ATOM 497 CB LYS A 32 -4.128 4.566 -0.698 1.00 0.00 C ATOM 498 CG LYS A 32 -3.642 3.813 -1.936 1.00 0.00 C ATOM 499 CD LYS A 32 -4.843 3.414 -2.797 1.00 0.00 C ATOM 500 CE LYS A 32 -5.527 4.672 -3.348 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.347 4.598 -4.826 1.00 0.00 N ATOM 0 H LYS A 32 -3.308 2.955 0.928 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.093 5.295 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.838 3.955 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.652 5.475 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.961 4.440 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.084 2.925 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.517 2.776 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.550 2.834 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.583 4.695 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.075 5.577 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.790 5.427 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.332 4.585 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.793 3.731 -5.187 1.00 0.00 H new ATOM 515 N GLN A 33 -3.107 5.789 2.460 1.00 0.00 N ATOM 516 CA GLN A 33 -3.403 6.855 3.466 1.00 0.00 C ATOM 517 C GLN A 33 -2.049 7.264 4.007 1.00 0.00 C ATOM 518 O GLN A 33 -1.682 8.421 4.062 1.00 0.00 O ATOM 519 CB GLN A 33 -4.256 6.186 4.545 1.00 0.00 C ATOM 520 CG GLN A 33 -4.756 7.245 5.530 1.00 0.00 C ATOM 521 CD GLN A 33 -5.951 7.983 4.924 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.921 9.187 4.770 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.009 7.306 4.570 1.00 0.00 N ATOM 0 H GLN A 33 -2.753 4.914 2.848 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.932 7.726 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.101 5.671 4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.670 5.432 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.044 6.775 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.957 7.951 5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.034 6.295 4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.811 7.788 4.164 1.00 0.00 H new ATOM 532 N TYR A 34 -1.283 6.263 4.327 1.00 0.00 N ATOM 533 CA TYR A 34 0.113 6.443 4.792 1.00 0.00 C ATOM 534 C TYR A 34 0.877 7.307 3.773 1.00 0.00 C ATOM 535 O TYR A 34 1.641 8.186 4.126 1.00 0.00 O ATOM 536 CB TYR A 34 0.610 4.999 4.775 1.00 0.00 C ATOM 537 CG TYR A 34 2.089 4.923 5.092 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.043 5.310 4.141 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.504 4.466 6.349 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.408 5.238 4.449 1.00 0.00 C ATOM 541 CE2 TYR A 34 3.869 4.394 6.655 1.00 0.00 C ATOM 542 CZ TYR A 34 4.820 4.780 5.705 1.00 0.00 C ATOM 543 OH TYR A 34 6.166 4.709 6.005 1.00 0.00 O ATOM 0 H TYR A 34 -1.582 5.289 4.282 1.00 0.00 H new ATOM 0 HA TYR A 34 0.230 6.937 5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.049 4.411 5.501 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.423 4.559 3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.726 5.664 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.770 4.169 7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.143 5.536 3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.187 4.040 7.625 1.00 0.00 H new ATOM 0 HH TYR A 34 6.280 4.371 6.918 1.00 0.00 H new ATOM 553 N ALA A 35 0.648 7.058 2.504 1.00 0.00 N ATOM 554 CA ALA A 35 1.324 7.853 1.427 1.00 0.00 C ATOM 555 C ALA A 35 0.990 9.338 1.593 1.00 0.00 C ATOM 556 O ALA A 35 1.859 10.185 1.579 1.00 0.00 O ATOM 557 CB ALA A 35 0.733 7.332 0.116 1.00 0.00 C ATOM 0 H ALA A 35 0.016 6.332 2.166 1.00 0.00 H new ATOM 0 HA ALA A 35 2.409 7.751 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.179 7.867 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.943 6.267 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.345 7.491 0.115 1.00 0.00 H new ATOM 563 N ASN A 36 -0.272 9.648 1.751 1.00 0.00 N ATOM 564 CA ASN A 36 -0.686 11.074 1.922 1.00 0.00 C ATOM 565 C ASN A 36 -0.093 11.647 3.210 1.00 0.00 C ATOM 566 O ASN A 36 0.465 12.728 3.220 1.00 0.00 O ATOM 567 CB ASN A 36 -2.211 11.044 2.012 1.00 0.00 C ATOM 568 CG ASN A 36 -2.810 11.035 0.604 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.569 11.916 0.250 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.500 10.072 -0.222 1.00 0.00 N ATOM 0 H ASN A 36 -1.036 8.972 1.769 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.338 11.700 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.535 10.160 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.570 11.912 2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.895 10.060 -1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.863 9.332 0.073 1.00 0.00 H new ATOM 577 N ASP A 37 -0.211 10.926 4.297 1.00 0.00 N ATOM 578 CA ASP A 37 0.344 11.421 5.600 1.00 0.00 C ATOM 579 C ASP A 37 1.836 11.743 5.470 1.00 0.00 C ATOM 580 O ASP A 37 2.379 12.530 6.222 1.00 0.00 O ATOM 581 CB ASP A 37 0.128 10.274 6.591 1.00 0.00 C ATOM 582 CG ASP A 37 -0.285 10.842 7.951 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.591 11.269 8.684 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.471 10.838 8.236 1.00 0.00 O ATOM 0 H ASP A 37 -0.668 10.015 4.341 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.145 12.340 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.642 9.598 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.043 9.690 6.692 1.00 0.00 H new ATOM 589 N ASN A 38 2.491 11.143 4.516 1.00 0.00 N ATOM 590 CA ASN A 38 3.938 11.399 4.311 1.00 0.00 C ATOM 591 C ASN A 38 4.140 12.336 3.118 1.00 0.00 C ATOM 592 O ASN A 38 5.085 13.101 3.071 1.00 0.00 O ATOM 593 CB ASN A 38 4.549 10.027 4.031 1.00 0.00 C ATOM 594 CG ASN A 38 6.051 10.069 4.315 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.475 9.873 5.437 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.880 10.320 3.339 1.00 0.00 N ATOM 0 H ASN A 38 2.077 10.478 3.863 1.00 0.00 H new ATOM 0 HA ASN A 38 4.402 11.878 5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.072 9.271 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.372 9.743 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.884 10.352 3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.524 10.484 2.397 1.00 0.00 H new ATOM 603 N GLY A 39 3.254 12.279 2.156 1.00 0.00 N ATOM 604 CA GLY A 39 3.380 13.161 0.958 1.00 0.00 C ATOM 605 C GLY A 39 3.683 12.314 -0.279 1.00 0.00 C ATOM 606 O GLY A 39 4.610 12.594 -1.017 1.00 0.00 O ATOM 0 H GLY A 39 2.446 11.657 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.457 13.722 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.175 13.891 1.114 1.00 0.00 H new ATOM 610 N ILE A 40 2.909 11.282 -0.514 1.00 0.00 N ATOM 611 CA ILE A 40 3.150 10.415 -1.705 1.00 0.00 C ATOM 612 C ILE A 40 1.963 10.518 -2.664 1.00 0.00 C ATOM 613 O ILE A 40 0.814 10.428 -2.273 1.00 0.00 O ATOM 614 CB ILE A 40 3.352 9.002 -1.110 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.846 8.768 -0.933 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.798 7.887 -2.004 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.326 9.581 0.258 1.00 0.00 C ATOM 0 H ILE A 40 2.120 11.004 0.070 1.00 0.00 H new ATOM 0 HA ILE A 40 4.016 10.700 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 40 2.809 8.966 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.047 7.709 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.384 9.062 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.971 6.921 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.728 8.034 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.301 7.912 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.395 9.424 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.135 10.639 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.792 9.264 1.154 1.00 0.00 H new ATOM 629 N ASP A 41 2.253 10.707 -3.918 1.00 0.00 N ATOM 630 CA ASP A 41 1.167 10.821 -4.938 1.00 0.00 C ATOM 631 C ASP A 41 1.744 10.744 -6.355 1.00 0.00 C ATOM 632 O ASP A 41 2.233 11.722 -6.888 1.00 0.00 O ATOM 633 CB ASP A 41 0.536 12.192 -4.693 1.00 0.00 C ATOM 634 CG ASP A 41 -0.968 12.117 -4.957 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.339 11.724 -6.051 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.724 12.450 -4.060 1.00 0.00 O ATOM 0 H ASP A 41 3.200 10.789 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 41 0.441 10.012 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.720 12.511 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.994 12.936 -5.345 1.00 0.00 H new ATOM 641 N GLY A 42 1.690 9.587 -6.965 1.00 0.00 N ATOM 642 CA GLY A 42 2.231 9.436 -8.347 1.00 0.00 C ATOM 643 C GLY A 42 1.576 8.233 -9.035 1.00 0.00 C ATOM 644 O GLY A 42 0.999 8.358 -10.099 1.00 0.00 O ATOM 0 H GLY A 42 1.293 8.738 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.042 10.342 -8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.312 9.301 -8.311 1.00 0.00 H new ATOM 648 N GLU A 43 1.669 7.069 -8.440 1.00 0.00 N ATOM 649 CA GLU A 43 1.059 5.851 -9.064 1.00 0.00 C ATOM 650 C GLU A 43 0.601 4.865 -7.985 1.00 0.00 C ATOM 651 O GLU A 43 0.929 5.016 -6.830 1.00 0.00 O ATOM 652 CB GLU A 43 2.183 5.233 -9.898 1.00 0.00 C ATOM 653 CG GLU A 43 2.567 6.192 -11.026 1.00 0.00 C ATOM 654 CD GLU A 43 3.446 5.460 -12.041 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.952 4.535 -12.665 1.00 0.00 O ATOM 656 OE2 GLU A 43 4.598 5.837 -12.178 1.00 0.00 O ATOM 0 H GLU A 43 2.140 6.909 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 43 0.182 6.095 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.049 5.031 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.860 4.278 -10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.670 6.574 -11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.100 7.052 -10.621 1.00 0.00 H new ATOM 663 N TRP A 44 -0.145 3.855 -8.370 1.00 0.00 N ATOM 664 CA TRP A 44 -0.630 2.828 -7.388 1.00 0.00 C ATOM 665 C TRP A 44 -1.034 1.556 -8.131 1.00 0.00 C ATOM 666 O TRP A 44 -1.891 1.580 -8.995 1.00 0.00 O ATOM 667 CB TRP A 44 -1.862 3.438 -6.713 1.00 0.00 C ATOM 668 CG TRP A 44 -1.439 4.244 -5.540 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.339 5.592 -5.493 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.066 3.755 -4.235 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.898 5.957 -4.233 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.718 4.854 -3.420 1.00 0.00 C ATOM 673 CE3 TRP A 44 -0.993 2.465 -3.694 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.303 4.677 -2.104 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.576 2.281 -2.367 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.230 3.388 -1.575 1.00 0.00 C ATOM 0 H TRP A 44 -0.442 3.696 -9.333 1.00 0.00 H new ATOM 0 HA TRP A 44 0.142 2.570 -6.664 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.404 4.065 -7.421 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.545 2.649 -6.398 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.565 6.270 -6.303 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.727 6.919 -3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.258 1.611 -4.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.039 5.530 -1.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.521 1.285 -1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.093 3.241 -0.555 1.00 0.00 H new ATOM 687 N THR A 45 -0.430 0.446 -7.799 1.00 0.00 N ATOM 688 CA THR A 45 -0.786 -0.835 -8.485 1.00 0.00 C ATOM 689 C THR A 45 -0.685 -1.987 -7.497 1.00 0.00 C ATOM 690 O THR A 45 0.298 -2.124 -6.800 1.00 0.00 O ATOM 691 CB THR A 45 0.236 -1.033 -9.616 1.00 0.00 C ATOM 692 OG1 THR A 45 1.480 -1.442 -9.067 1.00 0.00 O ATOM 693 CG2 THR A 45 0.427 0.268 -10.396 1.00 0.00 C ATOM 0 H THR A 45 0.293 0.369 -7.084 1.00 0.00 H new ATOM 0 HA THR A 45 -1.803 -0.804 -8.876 1.00 0.00 H new ATOM 0 HB THR A 45 -0.137 -1.800 -10.295 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.130 -1.569 -9.789 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.154 0.111 -11.193 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.525 0.576 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.789 1.046 -9.723 1.00 0.00 H new ATOM 701 N TYR A 46 -1.688 -2.816 -7.444 1.00 0.00 N ATOM 702 CA TYR A 46 -1.654 -3.973 -6.503 1.00 0.00 C ATOM 703 C TYR A 46 -1.099 -5.210 -7.222 1.00 0.00 C ATOM 704 O TYR A 46 -1.353 -5.427 -8.392 1.00 0.00 O ATOM 705 CB TYR A 46 -3.110 -4.181 -6.062 1.00 0.00 C ATOM 706 CG TYR A 46 -3.229 -5.471 -5.274 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.450 -5.660 -4.128 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.100 -6.479 -5.702 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.545 -6.853 -3.406 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.193 -7.676 -4.981 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.416 -7.863 -3.831 1.00 0.00 C ATOM 712 OH TYR A 46 -3.506 -9.041 -3.120 1.00 0.00 O ATOM 0 H TYR A 46 -2.532 -2.744 -8.012 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.008 -3.797 -5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.438 -3.340 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.762 -4.216 -6.934 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.774 -4.884 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.700 -6.334 -6.588 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.946 -6.996 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.864 -8.455 -5.312 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.157 -9.634 -3.550 1.00 0.00 H new ATOM 722 N ASP A 47 -0.354 -6.021 -6.518 1.00 0.00 N ATOM 723 CA ASP A 47 0.215 -7.252 -7.136 1.00 0.00 C ATOM 724 C ASP A 47 -0.393 -8.492 -6.475 1.00 0.00 C ATOM 725 O ASP A 47 0.010 -8.894 -5.399 1.00 0.00 O ATOM 726 CB ASP A 47 1.718 -7.175 -6.867 1.00 0.00 C ATOM 727 CG ASP A 47 2.478 -7.861 -8.003 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.525 -7.297 -9.084 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.002 -8.939 -7.774 1.00 0.00 O ATOM 0 H ASP A 47 -0.115 -5.882 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 47 0.002 -7.321 -8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.030 -6.134 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.953 -7.655 -5.917 1.00 0.00 H new ATOM 734 N ASP A 48 -1.364 -9.097 -7.116 1.00 0.00 N ATOM 735 CA ASP A 48 -2.016 -10.315 -6.533 1.00 0.00 C ATOM 736 C ASP A 48 -1.070 -11.529 -6.554 1.00 0.00 C ATOM 737 O ASP A 48 -1.396 -12.579 -6.032 1.00 0.00 O ATOM 738 CB ASP A 48 -3.245 -10.575 -7.414 1.00 0.00 C ATOM 739 CG ASP A 48 -2.811 -10.801 -8.865 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.628 -9.821 -9.569 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.668 -11.951 -9.247 1.00 0.00 O ATOM 0 H ASP A 48 -1.734 -8.800 -8.019 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.282 -10.159 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.787 -11.447 -7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.929 -9.728 -7.358 1.00 0.00 H new ATOM 746 N ALA A 49 0.096 -11.395 -7.138 1.00 0.00 N ATOM 747 CA ALA A 49 1.057 -12.534 -7.179 1.00 0.00 C ATOM 748 C ALA A 49 1.957 -12.487 -5.945 1.00 0.00 C ATOM 749 O ALA A 49 2.421 -13.503 -5.464 1.00 0.00 O ATOM 750 CB ALA A 49 1.875 -12.320 -8.452 1.00 0.00 C ATOM 0 H ALA A 49 0.422 -10.540 -7.589 1.00 0.00 H new ATOM 0 HA ALA A 49 0.559 -13.504 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.607 -13.121 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.211 -12.324 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.391 -11.362 -8.396 1.00 0.00 H new ATOM 756 N THR A 50 2.192 -11.309 -5.423 1.00 0.00 N ATOM 757 CA THR A 50 3.046 -11.179 -4.208 1.00 0.00 C ATOM 758 C THR A 50 2.305 -10.388 -3.123 1.00 0.00 C ATOM 759 O THR A 50 2.877 -10.030 -2.111 1.00 0.00 O ATOM 760 CB THR A 50 4.287 -10.414 -4.675 1.00 0.00 C ATOM 761 OG1 THR A 50 3.893 -9.155 -5.206 1.00 0.00 O ATOM 762 CG2 THR A 50 5.010 -11.222 -5.753 1.00 0.00 C ATOM 0 H THR A 50 1.827 -10.430 -5.789 1.00 0.00 H new ATOM 0 HA THR A 50 3.302 -12.147 -3.778 1.00 0.00 H new ATOM 0 HB THR A 50 4.958 -10.258 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.575 -9.273 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.893 -10.677 -6.085 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.311 -12.186 -5.344 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.341 -11.380 -6.599 1.00 0.00 H new ATOM 770 N LYS A 51 1.032 -10.101 -3.326 1.00 0.00 N ATOM 771 CA LYS A 51 0.249 -9.325 -2.309 1.00 0.00 C ATOM 772 C LYS A 51 0.964 -8.012 -1.976 1.00 0.00 C ATOM 773 O LYS A 51 0.995 -7.582 -0.839 1.00 0.00 O ATOM 774 CB LYS A 51 0.166 -10.226 -1.070 1.00 0.00 C ATOM 775 CG LYS A 51 -0.634 -11.493 -1.401 1.00 0.00 C ATOM 776 CD LYS A 51 -2.051 -11.373 -0.831 1.00 0.00 C ATOM 777 CE LYS A 51 -2.586 -12.767 -0.492 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.658 -12.532 0.515 1.00 0.00 N ATOM 0 H LYS A 51 0.505 -10.374 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.743 -9.062 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.168 -10.495 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.310 -9.689 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.677 -11.636 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.137 -12.368 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.043 -10.748 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.705 -10.887 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.979 -13.266 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.799 -13.405 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.074 -13.442 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.253 -12.062 1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.396 -11.927 0.102 1.00 0.00 H new ATOM 792 N THR A 52 1.543 -7.381 -2.965 1.00 0.00 N ATOM 793 CA THR A 52 2.268 -6.096 -2.716 1.00 0.00 C ATOM 794 C THR A 52 1.768 -5.006 -3.669 1.00 0.00 C ATOM 795 O THR A 52 1.463 -5.266 -4.817 1.00 0.00 O ATOM 796 CB THR A 52 3.738 -6.414 -2.992 1.00 0.00 C ATOM 797 OG1 THR A 52 4.135 -7.523 -2.197 1.00 0.00 O ATOM 798 CG2 THR A 52 4.598 -5.200 -2.644 1.00 0.00 C ATOM 0 H THR A 52 1.546 -7.699 -3.934 1.00 0.00 H new ATOM 0 HA THR A 52 2.111 -5.725 -1.703 1.00 0.00 H new ATOM 0 HB THR A 52 3.868 -6.656 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.630 -8.318 -2.468 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.646 -5.428 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.291 -4.350 -3.253 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.472 -4.955 -1.589 1.00 0.00 H new ATOM 806 N PHE A 53 1.689 -3.783 -3.199 1.00 0.00 N ATOM 807 CA PHE A 53 1.217 -2.670 -4.075 1.00 0.00 C ATOM 808 C PHE A 53 2.426 -1.932 -4.674 1.00 0.00 C ATOM 809 O PHE A 53 3.550 -2.375 -4.530 1.00 0.00 O ATOM 810 CB PHE A 53 0.404 -1.757 -3.151 1.00 0.00 C ATOM 811 CG PHE A 53 -0.884 -2.448 -2.756 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.872 -3.441 -1.764 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.093 -2.099 -3.378 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.065 -4.080 -1.396 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.280 -2.741 -3.008 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.267 -3.728 -2.018 1.00 0.00 C ATOM 0 H PHE A 53 1.932 -3.511 -2.246 1.00 0.00 H new ATOM 0 HA PHE A 53 0.616 -3.017 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.985 -1.513 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.184 -0.816 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.056 -3.713 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.107 -1.335 -4.142 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.055 -4.844 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.209 -2.473 -3.489 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.186 -4.219 -1.733 1.00 0.00 H new ATOM 826 N THR A 54 2.216 -0.816 -5.341 1.00 0.00 N ATOM 827 CA THR A 54 3.368 -0.073 -5.933 1.00 0.00 C ATOM 828 C THR A 54 2.993 1.396 -6.035 1.00 0.00 C ATOM 829 O THR A 54 2.241 1.793 -6.907 1.00 0.00 O ATOM 830 CB THR A 54 3.588 -0.670 -7.328 1.00 0.00 C ATOM 831 OG1 THR A 54 3.248 -2.052 -7.325 1.00 0.00 O ATOM 832 CG2 THR A 54 5.056 -0.508 -7.723 1.00 0.00 C ATOM 0 H THR A 54 1.300 -0.394 -5.497 1.00 0.00 H new ATOM 0 HA THR A 54 4.274 -0.156 -5.332 1.00 0.00 H new ATOM 0 HB THR A 54 2.954 -0.148 -8.045 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.605 -2.232 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.215 -0.932 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.315 0.551 -7.735 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.686 -1.027 -7.001 1.00 0.00 H new ATOM 840 N VAL A 55 3.487 2.200 -5.137 1.00 0.00 N ATOM 841 CA VAL A 55 3.133 3.647 -5.164 1.00 0.00 C ATOM 842 C VAL A 55 4.367 4.511 -5.423 1.00 0.00 C ATOM 843 O VAL A 55 5.448 4.239 -4.940 1.00 0.00 O ATOM 844 CB VAL A 55 2.516 3.940 -3.785 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.483 3.514 -2.679 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.217 5.438 -3.647 1.00 0.00 C ATOM 0 H VAL A 55 4.119 1.920 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 55 2.437 3.880 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 55 1.587 3.377 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.039 3.725 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.684 2.446 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.417 4.067 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.781 5.633 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.142 6.005 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.515 5.742 -4.424 1.00 0.00 H new ATOM 856 N THR A 56 4.192 5.562 -6.179 1.00 0.00 N ATOM 857 CA THR A 56 5.332 6.474 -6.478 1.00 0.00 C ATOM 858 C THR A 56 4.851 7.932 -6.447 1.00 0.00 C ATOM 859 O THR A 56 3.701 8.200 -6.159 1.00 0.00 O ATOM 860 CB THR A 56 5.834 6.044 -7.872 1.00 0.00 C ATOM 861 OG1 THR A 56 7.162 6.515 -8.054 1.00 0.00 O ATOM 862 CG2 THR A 56 4.948 6.595 -8.994 1.00 0.00 C ATOM 0 H THR A 56 3.304 5.828 -6.604 1.00 0.00 H new ATOM 0 HA THR A 56 6.138 6.411 -5.747 1.00 0.00 H new ATOM 0 HB THR A 56 5.799 4.956 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.374 6.534 -9.011 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.337 6.268 -9.958 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.930 6.225 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.945 7.684 -8.954 1.00 0.00 H new ATOM 870 N GLU A 57 5.718 8.864 -6.743 1.00 0.00 N ATOM 871 CA GLU A 57 5.309 10.300 -6.731 1.00 0.00 C ATOM 872 C GLU A 57 5.599 10.946 -8.089 1.00 0.00 C ATOM 873 O GLU A 57 6.525 10.502 -8.747 1.00 0.00 O ATOM 874 CB GLU A 57 6.159 10.947 -5.638 1.00 0.00 C ATOM 875 CG GLU A 57 5.638 12.357 -5.353 1.00 0.00 C ATOM 876 CD GLU A 57 6.248 13.338 -6.355 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.452 13.283 -6.550 1.00 0.00 O ATOM 878 OE2 GLU A 57 5.503 14.129 -6.910 1.00 0.00 O ATOM 879 OXT GLU A 57 4.890 11.872 -8.446 1.00 0.00 O ATOM 0 H GLU A 57 6.692 8.693 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 57 4.242 10.422 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.123 10.344 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.202 10.990 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.551 12.376 -5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.895 12.653 -4.336 1.00 0.00 H new