USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 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 -19:sc= 0.547 USER MOD Set 1.2: A 52 THR OG1 : rot 46:sc= 0.0731 USER MOD Set 2.1: A 33 GLN :FLIP amide:sc= 0 X(o=0.86,f=1) USER MOD Set 2.2: A 36 ASN : amide:sc= 1.03 X(o=1,f=0.86) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.772 (180deg=-0.0508) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00205) USER MOD Single : A 9 ASN : amide:sc= -0.0871 K(o=-0.087,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -140:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= 0.0047 USER MOD Single : A 29 LYS NZ :NH3+ -124:sc= -0.212 (180deg=-1.24) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.41 K(o=1.4,f=-0.034) USER MOD Single : A 45 THR OG1 : rot 170:sc= -0.503 USER MOD Single : A 46 TYR OH : rot 165:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ -133:sc= 0.369 (180deg=0.0893) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.185 -0.661 0.901 1.00 0.00 N ATOM 2 CA MET A 1 -15.474 -1.212 -0.270 1.00 0.00 C ATOM 3 C MET A 1 -14.964 -0.063 -1.151 1.00 0.00 C ATOM 4 O MET A 1 -15.227 1.104 -0.849 1.00 0.00 O ATOM 5 CB MET A 1 -16.365 -2.245 -0.990 1.00 0.00 C ATOM 6 CG MET A 1 -15.634 -3.094 -2.042 1.00 0.00 C ATOM 7 SD MET A 1 -16.242 -4.784 -2.259 1.00 0.00 S ATOM 8 CE MET A 1 -14.731 -5.540 -2.919 1.00 0.00 C ATOM 0 H1 MET A 1 -15.871 -1.154 1.761 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.977 0.354 0.988 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.209 -0.795 0.780 1.00 0.00 H new ATOM 0 HA MET A 1 -14.585 -1.765 0.033 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.803 -2.910 -0.246 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.189 -1.721 -1.474 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.696 -2.581 -3.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.579 -3.140 -1.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.910 -6.597 -3.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.448 -5.039 -3.845 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.926 -5.439 -2.191 1.00 0.00 H new ATOM 18 N GLY A 2 -14.352 -0.370 -2.296 1.00 0.00 N ATOM 19 CA GLY A 2 -13.796 0.580 -3.242 1.00 0.00 C ATOM 20 C GLY A 2 -12.395 0.156 -3.666 1.00 0.00 C ATOM 21 O GLY A 2 -11.841 -0.845 -3.198 1.00 0.00 O ATOM 0 H GLY A 2 -14.228 -1.337 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.441 0.650 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.761 1.572 -2.792 1.00 0.00 H new ATOM 25 N THR A 3 -11.853 0.881 -4.636 1.00 0.00 N ATOM 26 CA THR A 3 -10.532 0.647 -5.189 1.00 0.00 C ATOM 27 C THR A 3 -9.523 1.381 -4.314 1.00 0.00 C ATOM 28 O THR A 3 -9.688 2.566 -4.012 1.00 0.00 O ATOM 29 CB THR A 3 -10.482 1.156 -6.635 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.609 0.684 -7.350 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.216 0.677 -7.355 1.00 0.00 C ATOM 0 H THR A 3 -12.336 1.668 -5.069 1.00 0.00 H new ATOM 0 HA THR A 3 -10.297 -0.417 -5.203 1.00 0.00 H new ATOM 0 HB THR A 3 -10.479 2.245 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.573 1.013 -8.272 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.213 1.056 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.336 1.047 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.197 -0.413 -7.372 1.00 0.00 H new ATOM 39 N TYR A 4 -8.504 0.672 -3.858 1.00 0.00 N ATOM 40 CA TYR A 4 -7.440 1.203 -3.034 1.00 0.00 C ATOM 41 C TYR A 4 -6.147 1.194 -3.859 1.00 0.00 C ATOM 42 O TYR A 4 -6.027 0.411 -4.806 1.00 0.00 O ATOM 43 CB TYR A 4 -7.326 0.345 -1.773 1.00 0.00 C ATOM 44 CG TYR A 4 -8.389 0.633 -0.741 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.208 1.697 0.157 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.550 -0.154 -0.663 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.168 1.968 1.144 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.510 0.103 0.333 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.329 1.177 1.237 1.00 0.00 C ATOM 50 OH TYR A 4 -11.277 1.467 2.172 1.00 0.00 O ATOM 0 H TYR A 4 -8.394 -0.322 -4.060 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.640 2.228 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.382 -0.707 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.345 0.504 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.323 2.312 0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.706 -0.957 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.016 2.785 1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.388 -0.521 0.408 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.014 0.825 2.101 1.00 0.00 H new ATOM 60 N LYS A 5 -5.164 2.019 -3.488 1.00 0.00 N ATOM 61 CA LYS A 5 -3.863 2.137 -4.151 1.00 0.00 C ATOM 62 C LYS A 5 -2.753 2.082 -3.115 1.00 0.00 C ATOM 63 O LYS A 5 -2.931 2.568 -2.003 1.00 0.00 O ATOM 64 CB LYS A 5 -3.763 3.471 -4.922 1.00 0.00 C ATOM 65 CG LYS A 5 -2.445 3.631 -5.722 1.00 0.00 C ATOM 66 CD LYS A 5 -2.146 5.059 -6.187 1.00 0.00 C ATOM 67 CE LYS A 5 -3.280 5.714 -6.971 1.00 0.00 C ATOM 68 NZ LYS A 5 -3.686 4.928 -8.150 1.00 0.00 N ATOM 0 H LYS A 5 -5.256 2.646 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.760 1.310 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.606 3.548 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.851 4.296 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.617 3.284 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.485 2.980 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.921 5.673 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.250 5.046 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.140 5.847 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.967 6.708 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.447 5.427 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.871 4.807 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.028 3.995 -7.844 1.00 0.00 H new ATOM 82 N LEU A 6 -1.621 1.501 -3.479 1.00 0.00 N ATOM 83 CA LEU A 6 -0.427 1.398 -2.659 1.00 0.00 C ATOM 84 C LEU A 6 0.692 2.062 -3.443 1.00 0.00 C ATOM 85 O LEU A 6 0.827 1.814 -4.643 1.00 0.00 O ATOM 86 CB LEU A 6 -0.078 -0.061 -2.393 1.00 0.00 C ATOM 87 CG LEU A 6 1.308 -0.303 -1.750 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.388 0.327 -0.350 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.580 -1.812 -1.709 1.00 0.00 C ATOM 0 H LEU A 6 -1.506 1.069 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.580 1.878 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.841 -0.487 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.123 -0.606 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 6 2.078 0.179 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.373 0.141 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.222 1.402 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.625 -0.114 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.555 -1.994 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.808 -2.305 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.570 -2.211 -2.723 1.00 0.00 H new ATOM 101 N ILE A 7 1.503 2.838 -2.739 1.00 0.00 N ATOM 102 CA ILE A 7 2.652 3.562 -3.241 1.00 0.00 C ATOM 103 C ILE A 7 3.850 3.083 -2.417 1.00 0.00 C ATOM 104 O ILE A 7 3.971 3.366 -1.223 1.00 0.00 O ATOM 105 CB ILE A 7 2.408 5.085 -3.164 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.157 5.497 -3.976 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.656 5.839 -3.667 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.872 7.003 -3.978 1.00 0.00 C ATOM 0 H ILE A 7 1.364 2.985 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 7 2.843 3.366 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 7 2.225 5.352 -2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.280 5.161 -5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.289 4.976 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.479 6.913 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.513 5.579 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.859 5.558 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.021 7.204 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.714 7.345 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.720 7.533 -4.410 1.00 0.00 H new ATOM 120 N LEU A 8 4.684 2.248 -3.024 1.00 0.00 N ATOM 121 CA LEU A 8 5.882 1.704 -2.418 1.00 0.00 C ATOM 122 C LEU A 8 6.961 2.757 -2.611 1.00 0.00 C ATOM 123 O LEU A 8 7.447 2.946 -3.726 1.00 0.00 O ATOM 124 CB LEU A 8 6.300 0.396 -3.098 1.00 0.00 C ATOM 125 CG LEU A 8 5.300 -0.746 -2.975 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.791 -1.938 -3.802 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.103 -1.222 -1.543 1.00 0.00 C ATOM 0 H LEU A 8 4.537 1.924 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 8 5.716 1.475 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.473 0.594 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.251 0.073 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 8 4.346 -0.362 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.078 -2.758 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.882 -1.643 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.763 -2.262 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.379 -2.036 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.054 -1.574 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.735 -0.397 -0.933 1.00 0.00 H new ATOM 139 N ASN A 9 7.306 3.464 -1.547 1.00 0.00 N ATOM 140 CA ASN A 9 8.325 4.508 -1.547 1.00 0.00 C ATOM 141 C ASN A 9 9.554 3.968 -0.831 1.00 0.00 C ATOM 142 O ASN A 9 9.831 4.370 0.299 1.00 0.00 O ATOM 143 CB ASN A 9 7.820 5.788 -0.850 1.00 0.00 C ATOM 144 CG ASN A 9 6.997 6.700 -1.731 1.00 0.00 C ATOM 145 OD1 ASN A 9 6.873 6.499 -2.933 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.444 7.742 -1.149 1.00 0.00 N ATOM 0 H ASN A 9 6.875 3.326 -0.633 1.00 0.00 H new ATOM 0 HA ASN A 9 8.568 4.776 -2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.222 5.503 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.679 6.345 -0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.898 8.404 -1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.561 7.888 -0.146 1.00 0.00 H new ATOM 153 N GLY A 10 10.333 3.089 -1.457 1.00 0.00 N ATOM 154 CA GLY A 10 11.516 2.546 -0.820 1.00 0.00 C ATOM 155 C GLY A 10 12.830 3.254 -1.118 1.00 0.00 C ATOM 156 O GLY A 10 12.994 4.006 -2.085 1.00 0.00 O ATOM 0 H GLY A 10 10.162 2.743 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.359 2.557 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.615 1.502 -1.117 1.00 0.00 H new ATOM 160 N LYS A 11 13.795 2.979 -0.245 1.00 0.00 N ATOM 161 CA LYS A 11 15.160 3.487 -0.303 1.00 0.00 C ATOM 162 C LYS A 11 15.915 2.863 -1.457 1.00 0.00 C ATOM 163 O LYS A 11 16.831 3.500 -1.982 1.00 0.00 O ATOM 164 CB LYS A 11 15.937 3.140 0.982 1.00 0.00 C ATOM 165 CG LYS A 11 15.358 3.717 2.276 1.00 0.00 C ATOM 166 CD LYS A 11 14.927 5.176 2.164 1.00 0.00 C ATOM 167 CE LYS A 11 15.958 6.173 1.647 1.00 0.00 C ATOM 168 NZ LYS A 11 15.273 7.402 1.200 1.00 0.00 N ATOM 0 H LYS A 11 13.639 2.369 0.557 1.00 0.00 H new ATOM 0 HA LYS A 11 15.087 4.568 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.983 2.055 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.962 3.494 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.499 3.117 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.103 3.628 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.057 5.221 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.602 5.508 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.677 6.409 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.520 5.736 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.976 8.082 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.604 7.169 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.756 7.821 1.999 1.00 0.00 H new ATOM 182 N THR A 12 15.522 1.673 -1.891 1.00 0.00 N ATOM 183 CA THR A 12 16.197 0.962 -2.962 1.00 0.00 C ATOM 184 C THR A 12 15.317 0.803 -4.190 1.00 0.00 C ATOM 185 O THR A 12 15.823 0.929 -5.312 1.00 0.00 O ATOM 186 CB THR A 12 16.683 -0.386 -2.412 1.00 0.00 C ATOM 187 OG1 THR A 12 15.654 -1.044 -1.702 1.00 0.00 O ATOM 188 CG2 THR A 12 17.858 -0.203 -1.450 1.00 0.00 C ATOM 0 H THR A 12 14.721 1.173 -1.506 1.00 0.00 H new ATOM 0 HA THR A 12 17.054 1.543 -3.301 1.00 0.00 H new ATOM 0 HB THR A 12 16.991 -0.979 -3.273 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.987 -1.901 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.179 -1.176 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.685 0.276 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.548 0.422 -0.612 1.00 0.00 H new ATOM 196 N LEU A 13 14.022 0.532 -4.008 1.00 0.00 N ATOM 197 CA LEU A 13 13.086 0.350 -5.115 1.00 0.00 C ATOM 198 C LEU A 13 11.814 1.108 -4.793 1.00 0.00 C ATOM 199 O LEU A 13 11.614 1.458 -3.635 1.00 0.00 O ATOM 200 CB LEU A 13 12.816 -1.158 -5.299 1.00 0.00 C ATOM 201 CG LEU A 13 11.850 -1.529 -6.445 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.375 -1.024 -7.790 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.662 -3.048 -6.501 1.00 0.00 C ATOM 0 H LEU A 13 13.595 0.433 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 13 13.496 0.737 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.768 -1.660 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.413 -1.553 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 13 10.890 -1.051 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.676 -1.299 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.477 0.061 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.347 -1.474 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.979 -3.300 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.625 -3.528 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.248 -3.398 -5.556 1.00 0.00 H new ATOM 215 N LYS A 14 11.006 1.447 -5.795 1.00 0.00 N ATOM 216 CA LYS A 14 9.722 2.125 -5.652 1.00 0.00 C ATOM 217 C LYS A 14 8.779 1.461 -6.650 1.00 0.00 C ATOM 218 O LYS A 14 9.246 0.974 -7.690 1.00 0.00 O ATOM 219 CB LYS A 14 9.777 3.653 -5.856 1.00 0.00 C ATOM 220 CG LYS A 14 10.513 4.417 -4.739 1.00 0.00 C ATOM 221 CD LYS A 14 11.810 5.127 -5.133 1.00 0.00 C ATOM 222 CE LYS A 14 12.750 4.283 -5.993 1.00 0.00 C ATOM 223 NZ LYS A 14 13.988 5.023 -6.278 1.00 0.00 N ATOM 0 H LYS A 14 11.239 1.248 -6.768 1.00 0.00 H new ATOM 0 HA LYS A 14 9.376 2.020 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.267 3.863 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.759 4.034 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.830 5.160 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.740 3.714 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.561 6.040 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.336 5.427 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.986 3.352 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.256 4.015 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.616 4.436 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.759 5.900 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.466 5.257 -5.385 1.00 0.00 H new ATOM 237 N GLY A 15 7.486 1.433 -6.366 1.00 0.00 N ATOM 238 CA GLY A 15 6.478 0.828 -7.224 1.00 0.00 C ATOM 239 C GLY A 15 5.083 1.269 -6.804 1.00 0.00 C ATOM 240 O GLY A 15 4.928 1.982 -5.812 1.00 0.00 O ATOM 0 H GLY A 15 7.099 1.839 -5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.658 1.111 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.553 -0.258 -7.172 1.00 0.00 H new ATOM 244 N GLU A 16 4.061 0.877 -7.560 1.00 0.00 N ATOM 245 CA GLU A 16 2.672 1.209 -7.272 1.00 0.00 C ATOM 246 C GLU A 16 1.785 0.053 -7.707 1.00 0.00 C ATOM 247 O GLU A 16 2.134 -0.689 -8.627 1.00 0.00 O ATOM 248 CB GLU A 16 2.226 2.473 -8.023 1.00 0.00 C ATOM 249 CG GLU A 16 2.671 3.764 -7.338 1.00 0.00 C ATOM 250 CD GLU A 16 2.125 5.015 -8.031 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.033 4.969 -8.645 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.767 6.085 -7.925 1.00 0.00 O ATOM 0 H GLU A 16 4.178 0.312 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 16 2.584 1.391 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.629 2.448 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.140 2.471 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.339 3.754 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.760 3.807 -7.324 1.00 0.00 H new ATOM 259 N THR A 17 0.636 -0.103 -7.060 1.00 0.00 N ATOM 260 CA THR A 17 -0.340 -1.134 -7.362 1.00 0.00 C ATOM 261 C THR A 17 -1.707 -0.684 -6.843 1.00 0.00 C ATOM 262 O THR A 17 -1.796 0.163 -5.948 1.00 0.00 O ATOM 263 CB THR A 17 0.137 -2.478 -6.767 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.671 -3.560 -7.174 1.00 0.00 O ATOM 265 CG2 THR A 17 0.176 -2.531 -5.238 1.00 0.00 C ATOM 0 H THR A 17 0.353 0.503 -6.290 1.00 0.00 H new ATOM 0 HA THR A 17 -0.441 -1.289 -8.436 1.00 0.00 H new ATOM 0 HB THR A 17 1.153 -2.559 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.332 -4.389 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.523 -3.513 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.856 -1.766 -4.865 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.824 -2.352 -4.842 1.00 0.00 H new ATOM 273 N THR A 18 -2.778 -1.269 -7.367 1.00 0.00 N ATOM 274 CA THR A 18 -4.151 -0.995 -6.986 1.00 0.00 C ATOM 275 C THR A 18 -4.871 -2.324 -6.727 1.00 0.00 C ATOM 276 O THR A 18 -4.578 -3.323 -7.388 1.00 0.00 O ATOM 277 CB THR A 18 -4.841 -0.135 -8.072 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.382 -0.341 -9.402 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.517 1.330 -7.810 1.00 0.00 C ATOM 0 H THR A 18 -2.706 -1.976 -8.099 1.00 0.00 H new ATOM 0 HA THR A 18 -4.187 -0.415 -6.064 1.00 0.00 H new ATOM 0 HB THR A 18 -5.892 -0.415 -8.006 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.877 0.244 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.996 1.950 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.885 1.613 -6.824 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.438 1.477 -7.851 1.00 0.00 H new ATOM 287 N THR A 19 -5.752 -2.370 -5.724 1.00 0.00 N ATOM 288 CA THR A 19 -6.528 -3.557 -5.378 1.00 0.00 C ATOM 289 C THR A 19 -7.907 -3.111 -4.883 1.00 0.00 C ATOM 290 O THR A 19 -8.045 -2.074 -4.229 1.00 0.00 O ATOM 291 CB THR A 19 -5.759 -4.423 -4.344 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.225 -5.759 -4.295 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.855 -3.907 -2.902 1.00 0.00 C ATOM 0 H THR A 19 -5.947 -1.570 -5.122 1.00 0.00 H new ATOM 0 HA THR A 19 -6.675 -4.192 -6.252 1.00 0.00 H new ATOM 0 HB THR A 19 -4.731 -4.366 -4.701 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.246 -6.064 -3.364 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.292 -4.566 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.442 -2.900 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.900 -3.888 -2.591 1.00 0.00 H new ATOM 301 N GLU A 20 -8.945 -3.872 -5.197 1.00 0.00 N ATOM 302 CA GLU A 20 -10.308 -3.618 -4.779 1.00 0.00 C ATOM 303 C GLU A 20 -10.421 -4.307 -3.431 1.00 0.00 C ATOM 304 O GLU A 20 -10.237 -5.525 -3.368 1.00 0.00 O ATOM 305 CB GLU A 20 -11.305 -4.225 -5.772 1.00 0.00 C ATOM 306 CG GLU A 20 -11.157 -3.616 -7.168 1.00 0.00 C ATOM 307 CD GLU A 20 -9.906 -4.036 -7.955 1.00 0.00 C ATOM 308 OE1 GLU A 20 -9.367 -5.156 -7.751 1.00 0.00 O ATOM 309 OE2 GLU A 20 -9.458 -3.213 -8.784 1.00 0.00 O ATOM 0 H GLU A 20 -8.854 -4.711 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.533 -2.553 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.153 -5.303 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.321 -4.065 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.037 -3.881 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.154 -2.530 -7.071 1.00 0.00 H new ATOM 316 N ALA A 21 -10.679 -3.564 -2.356 1.00 0.00 N ATOM 317 CA ALA A 21 -10.792 -4.158 -1.028 1.00 0.00 C ATOM 318 C ALA A 21 -12.134 -3.808 -0.407 1.00 0.00 C ATOM 319 O ALA A 21 -12.638 -2.701 -0.595 1.00 0.00 O ATOM 320 CB ALA A 21 -9.636 -3.697 -0.149 1.00 0.00 C ATOM 0 H ALA A 21 -10.813 -2.553 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.738 -5.243 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.729 -4.146 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.692 -4.004 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.659 -2.611 -0.058 1.00 0.00 H new ATOM 326 N VAL A 22 -12.668 -4.724 0.400 1.00 0.00 N ATOM 327 CA VAL A 22 -13.957 -4.537 1.059 1.00 0.00 C ATOM 328 C VAL A 22 -13.878 -3.417 2.095 1.00 0.00 C ATOM 329 O VAL A 22 -14.876 -2.739 2.323 1.00 0.00 O ATOM 330 CB VAL A 22 -14.442 -5.855 1.701 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.699 -6.928 0.632 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.470 -6.417 2.751 1.00 0.00 C ATOM 0 H VAL A 22 -12.219 -5.615 0.614 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.687 -4.245 0.304 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.371 -5.604 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.039 -7.846 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.463 -6.576 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.777 -7.125 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.873 -7.343 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.505 -6.616 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.341 -5.691 3.553 1.00 0.00 H new ATOM 342 N ASP A 23 -12.706 -3.214 2.703 1.00 0.00 N ATOM 343 CA ASP A 23 -12.446 -2.198 3.712 1.00 0.00 C ATOM 344 C ASP A 23 -10.963 -1.871 3.680 1.00 0.00 C ATOM 345 O ASP A 23 -10.160 -2.678 3.190 1.00 0.00 O ATOM 346 CB ASP A 23 -12.817 -2.709 5.114 1.00 0.00 C ATOM 347 CG ASP A 23 -14.316 -2.594 5.361 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.822 -1.450 5.350 1.00 0.00 O ATOM 349 OD2 ASP A 23 -14.981 -3.644 5.515 1.00 0.00 O ATOM 0 H ASP A 23 -11.883 -3.779 2.493 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.049 -1.315 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.507 -3.749 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.276 -2.137 5.868 1.00 0.00 H new ATOM 354 N ALA A 24 -10.591 -0.729 4.266 1.00 0.00 N ATOM 355 CA ALA A 24 -9.214 -0.259 4.334 1.00 0.00 C ATOM 356 C ALA A 24 -8.330 -1.279 5.046 1.00 0.00 C ATOM 357 O ALA A 24 -7.146 -1.364 4.744 1.00 0.00 O ATOM 358 CB ALA A 24 -9.160 1.093 5.057 1.00 0.00 C ATOM 0 H ALA A 24 -11.255 -0.097 4.713 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.837 -0.134 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.128 1.439 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.762 1.821 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.552 0.981 6.068 1.00 0.00 H new ATOM 364 N ALA A 25 -8.893 -2.064 5.972 1.00 0.00 N ATOM 365 CA ALA A 25 -8.140 -3.074 6.693 1.00 0.00 C ATOM 366 C ALA A 25 -7.632 -4.135 5.721 1.00 0.00 C ATOM 367 O ALA A 25 -6.450 -4.462 5.694 1.00 0.00 O ATOM 368 CB ALA A 25 -9.054 -3.708 7.743 1.00 0.00 C ATOM 0 H ALA A 25 -9.877 -2.011 6.235 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.280 -2.619 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.502 -4.470 8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.401 -2.940 8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.911 -4.166 7.250 1.00 0.00 H new ATOM 374 N THR A 26 -8.537 -4.654 4.896 1.00 0.00 N ATOM 375 CA THR A 26 -8.227 -5.662 3.901 1.00 0.00 C ATOM 376 C THR A 26 -7.185 -5.099 2.933 1.00 0.00 C ATOM 377 O THR A 26 -6.213 -5.785 2.629 1.00 0.00 O ATOM 378 CB THR A 26 -9.516 -6.093 3.197 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.560 -6.347 4.130 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.307 -7.357 2.374 1.00 0.00 C ATOM 0 H THR A 26 -9.519 -4.378 4.904 1.00 0.00 H new ATOM 0 HA THR A 26 -7.800 -6.552 4.364 1.00 0.00 H new ATOM 0 HB THR A 26 -9.795 -5.267 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.067 -7.137 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.243 -7.634 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.545 -7.176 1.616 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.984 -8.167 3.027 1.00 0.00 H new ATOM 388 N ALA A 27 -7.367 -3.850 2.480 1.00 0.00 N ATOM 389 CA ALA A 27 -6.438 -3.205 1.566 1.00 0.00 C ATOM 390 C ALA A 27 -5.051 -3.148 2.195 1.00 0.00 C ATOM 391 O ALA A 27 -4.085 -3.589 1.579 1.00 0.00 O ATOM 392 CB ALA A 27 -6.915 -1.788 1.236 1.00 0.00 C ATOM 0 H ALA A 27 -8.163 -3.268 2.741 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.393 -3.785 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.210 -1.317 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.899 -1.835 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.976 -1.202 2.153 1.00 0.00 H new ATOM 398 N GLU A 28 -4.961 -2.657 3.432 1.00 0.00 N ATOM 399 CA GLU A 28 -3.703 -2.528 4.144 1.00 0.00 C ATOM 400 C GLU A 28 -2.995 -3.868 4.301 1.00 0.00 C ATOM 401 O GLU A 28 -1.781 -3.918 4.154 1.00 0.00 O ATOM 402 CB GLU A 28 -3.903 -1.815 5.487 1.00 0.00 C ATOM 403 CG GLU A 28 -2.548 -1.464 6.126 1.00 0.00 C ATOM 404 CD GLU A 28 -2.674 -0.531 7.330 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.682 -0.623 8.067 1.00 0.00 O ATOM 406 OE2 GLU A 28 -1.722 0.245 7.579 1.00 0.00 O ATOM 0 H GLU A 28 -5.769 -2.337 3.966 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.044 -1.905 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.486 -0.906 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.474 -2.453 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.051 -2.383 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.911 -0.995 5.376 1.00 0.00 H new ATOM 413 N LYS A 29 -3.712 -4.953 4.598 1.00 0.00 N ATOM 414 CA LYS A 29 -3.095 -6.273 4.742 1.00 0.00 C ATOM 415 C LYS A 29 -2.571 -6.750 3.387 1.00 0.00 C ATOM 416 O LYS A 29 -1.407 -7.155 3.308 1.00 0.00 O ATOM 417 CB LYS A 29 -4.116 -7.289 5.249 1.00 0.00 C ATOM 418 CG LYS A 29 -4.575 -7.098 6.696 1.00 0.00 C ATOM 419 CD LYS A 29 -5.574 -8.173 7.159 1.00 0.00 C ATOM 420 CE LYS A 29 -6.759 -8.407 6.206 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.456 -9.353 5.107 1.00 0.00 N ATOM 0 H LYS A 29 -4.722 -4.944 4.744 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.276 -6.190 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.992 -7.252 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.689 -8.287 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.705 -7.113 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.035 -6.115 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.039 -9.114 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.963 -7.890 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.606 -8.786 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.065 -7.452 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.644 -8.894 4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.455 -9.632 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.056 -10.197 5.200 1.00 0.00 H new ATOM 435 N VAL A 30 -3.395 -6.674 2.332 1.00 0.00 N ATOM 436 CA VAL A 30 -2.996 -7.100 0.989 1.00 0.00 C ATOM 437 C VAL A 30 -1.737 -6.345 0.595 1.00 0.00 C ATOM 438 O VAL A 30 -0.750 -6.945 0.164 1.00 0.00 O ATOM 439 CB VAL A 30 -4.161 -6.889 -0.004 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.761 -6.929 -1.488 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.189 -7.995 0.228 1.00 0.00 C ATOM 0 H VAL A 30 -4.349 -6.318 2.388 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.768 -8.166 0.971 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.546 -5.888 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.644 -6.771 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.032 -6.144 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.323 -7.900 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.023 -7.867 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.723 -8.966 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.556 -7.942 1.253 1.00 0.00 H new ATOM 451 N PHE A 31 -1.764 -5.029 0.773 1.00 0.00 N ATOM 452 CA PHE A 31 -0.662 -4.154 0.466 1.00 0.00 C ATOM 453 C PHE A 31 0.537 -4.475 1.341 1.00 0.00 C ATOM 454 O PHE A 31 1.635 -4.526 0.801 1.00 0.00 O ATOM 455 CB PHE A 31 -1.150 -2.716 0.577 1.00 0.00 C ATOM 456 CG PHE A 31 -2.118 -2.270 -0.513 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.150 -2.876 -1.792 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.916 -1.136 -0.275 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.934 -2.332 -2.821 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.692 -0.589 -1.309 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.693 -1.179 -2.583 1.00 0.00 C ATOM 0 H PHE A 31 -2.578 -4.539 1.145 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.311 -4.303 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.635 -2.588 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.284 -2.054 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.566 -3.765 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.932 -0.685 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.952 -2.801 -3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.291 0.290 -1.124 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.279 -0.744 -3.379 1.00 0.00 H new ATOM 471 N LYS A 32 0.379 -4.748 2.640 1.00 0.00 N ATOM 472 CA LYS A 32 1.485 -5.105 3.529 1.00 0.00 C ATOM 473 C LYS A 32 2.199 -6.308 2.957 1.00 0.00 C ATOM 474 O LYS A 32 3.422 -6.298 2.856 1.00 0.00 O ATOM 475 CB LYS A 32 0.980 -5.372 4.957 1.00 0.00 C ATOM 476 CG LYS A 32 1.325 -4.202 5.895 1.00 0.00 C ATOM 477 CD LYS A 32 2.392 -4.660 6.893 1.00 0.00 C ATOM 478 CE LYS A 32 3.085 -3.515 7.640 1.00 0.00 C ATOM 479 NZ LYS A 32 2.278 -2.966 8.748 1.00 0.00 N ATOM 0 H LYS A 32 -0.528 -4.727 3.106 1.00 0.00 H new ATOM 0 HA LYS A 32 2.186 -4.273 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.099 -5.524 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.426 -6.291 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.689 -3.352 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.433 -3.869 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.930 -5.327 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.146 -5.241 6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.036 -3.872 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.312 -2.716 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.802 -2.197 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.380 -2.597 8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.082 -3.717 9.440 1.00 0.00 H new ATOM 493 N GLN A 33 1.451 -7.343 2.577 1.00 0.00 N ATOM 494 CA GLN A 33 2.042 -8.526 2.007 1.00 0.00 C ATOM 495 C GLN A 33 2.736 -8.158 0.699 1.00 0.00 C ATOM 496 O GLN A 33 3.846 -8.626 0.471 1.00 0.00 O ATOM 497 CB GLN A 33 0.961 -9.590 1.775 1.00 0.00 C ATOM 498 CG GLN A 33 1.565 -10.967 1.471 1.00 0.00 C ATOM 499 CD GLN A 33 1.926 -11.703 2.756 1.00 0.00 C ATOM 500 OE1 GLN A 33 3.129 -11.533 3.270 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 1.086 -12.385 3.341 1.00 0.00 N flip ATOM 0 H GLN A 33 0.435 -7.374 2.659 1.00 0.00 H new ATOM 0 HA GLN A 33 2.781 -8.940 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.326 -9.660 2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.323 -9.283 0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.854 -11.560 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.455 -10.849 0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.159 -12.510 2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.317 -12.825 4.232 1.00 0.00 H new ATOM 510 N TYR A 34 2.120 -7.315 -0.132 1.00 0.00 N ATOM 511 CA TYR A 34 2.717 -6.945 -1.412 1.00 0.00 C ATOM 512 C TYR A 34 4.030 -6.189 -1.218 1.00 0.00 C ATOM 513 O TYR A 34 5.015 -6.443 -1.901 1.00 0.00 O ATOM 514 CB TYR A 34 1.730 -6.134 -2.263 1.00 0.00 C ATOM 515 CG TYR A 34 2.065 -6.190 -3.742 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.702 -7.329 -4.483 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.775 -5.147 -4.369 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.045 -7.432 -5.841 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.121 -5.246 -5.731 1.00 0.00 C ATOM 520 CZ TYR A 34 2.759 -6.392 -6.471 1.00 0.00 C ATOM 521 OH TYR A 34 3.089 -6.525 -7.783 1.00 0.00 O ATOM 0 H TYR A 34 1.217 -6.880 0.058 1.00 0.00 H new ATOM 0 HA TYR A 34 2.947 -7.865 -1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.721 -6.514 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.734 -5.096 -1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.156 -8.129 -4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.055 -4.270 -3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.761 -8.309 -6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.664 -4.444 -6.209 1.00 0.00 H new ATOM 0 HH TYR A 34 3.578 -5.729 -8.080 1.00 0.00 H new ATOM 531 N ALA A 35 4.069 -5.246 -0.285 1.00 0.00 N ATOM 532 CA ALA A 35 5.258 -4.458 -0.005 1.00 0.00 C ATOM 533 C ALA A 35 6.358 -5.370 0.504 1.00 0.00 C ATOM 534 O ALA A 35 7.458 -5.345 -0.042 1.00 0.00 O ATOM 535 CB ALA A 35 4.933 -3.389 1.015 1.00 0.00 C ATOM 0 H ALA A 35 3.270 -5.006 0.302 1.00 0.00 H new ATOM 0 HA ALA A 35 5.601 -3.970 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.827 -2.800 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.152 -2.737 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.586 -3.858 1.936 1.00 0.00 H new ATOM 541 N ASN A 36 6.042 -6.212 1.493 1.00 0.00 N ATOM 542 CA ASN A 36 7.012 -7.157 2.037 1.00 0.00 C ATOM 543 C ASN A 36 7.515 -8.083 0.917 1.00 0.00 C ATOM 544 O ASN A 36 8.667 -8.505 0.944 1.00 0.00 O ATOM 545 CB ASN A 36 6.417 -7.941 3.225 1.00 0.00 C ATOM 546 CG ASN A 36 6.427 -9.452 3.045 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.237 -10.163 3.633 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.517 -9.979 2.251 1.00 0.00 N ATOM 0 H ASN A 36 5.122 -6.256 1.930 1.00 0.00 H new ATOM 0 HA ASN A 36 7.869 -6.609 2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.975 -7.690 4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.390 -7.612 3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.479 -10.990 2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.850 -9.376 1.769 1.00 0.00 H new ATOM 555 N ASP A 37 6.676 -8.406 -0.073 1.00 0.00 N ATOM 556 CA ASP A 37 7.058 -9.270 -1.193 1.00 0.00 C ATOM 557 C ASP A 37 8.126 -8.564 -2.032 1.00 0.00 C ATOM 558 O ASP A 37 9.051 -9.201 -2.522 1.00 0.00 O ATOM 559 CB ASP A 37 5.837 -9.664 -2.028 1.00 0.00 C ATOM 560 CG ASP A 37 6.132 -10.723 -3.089 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.127 -11.473 -2.968 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.300 -10.841 -4.024 1.00 0.00 O ATOM 0 H ASP A 37 5.712 -8.075 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 37 7.480 -10.198 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.058 -10.037 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.440 -8.774 -2.517 1.00 0.00 H new ATOM 567 N ASN A 38 8.023 -7.238 -2.180 1.00 0.00 N ATOM 568 CA ASN A 38 8.989 -6.404 -2.902 1.00 0.00 C ATOM 569 C ASN A 38 10.164 -6.040 -1.974 1.00 0.00 C ATOM 570 O ASN A 38 11.095 -5.361 -2.407 1.00 0.00 O ATOM 571 CB ASN A 38 8.355 -5.082 -3.377 1.00 0.00 C ATOM 572 CG ASN A 38 7.387 -5.228 -4.535 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.728 -4.965 -5.686 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.153 -5.587 -4.246 1.00 0.00 N ATOM 0 H ASN A 38 7.246 -6.703 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 38 9.326 -6.980 -3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.832 -4.623 -2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.151 -4.397 -3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.454 -5.652 -4.986 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.896 -5.800 -3.282 1.00 0.00 H new ATOM 581 N GLY A 39 10.126 -6.439 -0.698 1.00 0.00 N ATOM 582 CA GLY A 39 11.148 -6.156 0.294 1.00 0.00 C ATOM 583 C GLY A 39 11.110 -4.698 0.717 1.00 0.00 C ATOM 584 O GLY A 39 12.167 -4.078 0.839 1.00 0.00 O ATOM 0 H GLY A 39 9.352 -6.987 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.001 -6.795 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.131 -6.394 -0.113 1.00 0.00 H new ATOM 588 N VAL A 40 9.911 -4.150 0.922 1.00 0.00 N ATOM 589 CA VAL A 40 9.677 -2.781 1.343 1.00 0.00 C ATOM 590 C VAL A 40 8.985 -2.857 2.698 1.00 0.00 C ATOM 591 O VAL A 40 7.925 -3.474 2.834 1.00 0.00 O ATOM 592 CB VAL A 40 8.792 -2.047 0.327 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.641 -0.562 0.687 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.335 -2.143 -1.101 1.00 0.00 C ATOM 0 H VAL A 40 9.046 -4.675 0.792 1.00 0.00 H new ATOM 0 HA VAL A 40 10.613 -2.227 1.411 1.00 0.00 H new ATOM 0 HB VAL A 40 7.822 -2.543 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.008 -0.071 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.185 -0.471 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.623 -0.088 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.671 -1.607 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.330 -1.701 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.391 -3.190 -1.400 1.00 0.00 H new ATOM 604 N ASP A 41 9.581 -2.227 3.702 1.00 0.00 N ATOM 605 CA ASP A 41 9.031 -2.208 5.050 1.00 0.00 C ATOM 606 C ASP A 41 9.500 -0.940 5.752 1.00 0.00 C ATOM 607 O ASP A 41 10.633 -0.866 6.231 1.00 0.00 O ATOM 608 CB ASP A 41 9.451 -3.478 5.787 1.00 0.00 C ATOM 609 CG ASP A 41 8.959 -3.481 7.226 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.727 -3.392 7.433 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.799 -3.633 8.137 1.00 0.00 O ATOM 0 H ASP A 41 10.458 -1.716 3.604 1.00 0.00 H new ATOM 0 HA ASP A 41 7.941 -2.194 5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.055 -4.349 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.537 -3.564 5.774 1.00 0.00 H new ATOM 616 N GLY A 42 8.640 0.077 5.739 1.00 0.00 N ATOM 617 CA GLY A 42 8.884 1.376 6.334 1.00 0.00 C ATOM 618 C GLY A 42 7.640 1.945 6.998 1.00 0.00 C ATOM 619 O GLY A 42 6.786 1.205 7.472 1.00 0.00 O ATOM 0 H GLY A 42 7.724 0.010 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.682 1.292 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.232 2.066 5.566 1.00 0.00 H new ATOM 623 N GLU A 43 7.558 3.271 7.071 1.00 0.00 N ATOM 624 CA GLU A 43 6.444 3.984 7.681 1.00 0.00 C ATOM 625 C GLU A 43 5.247 3.988 6.734 1.00 0.00 C ATOM 626 O GLU A 43 5.304 4.605 5.666 1.00 0.00 O ATOM 627 CB GLU A 43 6.852 5.419 8.075 1.00 0.00 C ATOM 628 CG GLU A 43 5.677 6.163 8.747 1.00 0.00 C ATOM 629 CD GLU A 43 6.073 7.477 9.434 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.892 8.252 8.895 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.596 7.731 10.569 1.00 0.00 O ATOM 0 H GLU A 43 8.279 3.890 6.700 1.00 0.00 H new ATOM 0 HA GLU A 43 6.158 3.466 8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.703 5.385 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.174 5.966 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.918 6.375 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.219 5.504 9.485 1.00 0.00 H new ATOM 638 N TRP A 44 4.190 3.276 7.125 1.00 0.00 N ATOM 639 CA TRP A 44 2.949 3.168 6.379 1.00 0.00 C ATOM 640 C TRP A 44 2.027 4.345 6.720 1.00 0.00 C ATOM 641 O TRP A 44 1.769 4.599 7.899 1.00 0.00 O ATOM 642 CB TRP A 44 2.250 1.848 6.713 1.00 0.00 C ATOM 643 CG TRP A 44 2.946 0.612 6.224 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.058 0.057 6.757 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.638 -0.194 5.049 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.494 -0.987 5.968 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.648 -1.186 4.902 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.624 -0.166 4.071 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.654 -2.088 3.835 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.627 -1.059 2.988 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.636 -2.018 2.870 1.00 0.00 C ATOM 0 H TRP A 44 4.179 2.745 7.996 1.00 0.00 H new ATOM 0 HA TRP A 44 3.176 3.191 5.313 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.139 1.778 7.795 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.246 1.871 6.290 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.536 0.384 7.669 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.333 -1.538 6.151 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.827 0.558 4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.433 -2.831 3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.847 -1.005 2.243 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.633 -2.705 2.037 1.00 0.00 H new ATOM 662 N THR A 45 1.443 4.975 5.703 1.00 0.00 N ATOM 663 CA THR A 45 0.537 6.120 5.787 1.00 0.00 C ATOM 664 C THR A 45 -0.794 5.820 5.077 1.00 0.00 C ATOM 665 O THR A 45 -0.947 4.741 4.497 1.00 0.00 O ATOM 666 CB THR A 45 1.233 7.353 5.182 1.00 0.00 C ATOM 667 OG1 THR A 45 1.309 7.175 3.786 1.00 0.00 O ATOM 668 CG2 THR A 45 2.657 7.588 5.704 1.00 0.00 C ATOM 0 H THR A 45 1.599 4.682 4.739 1.00 0.00 H new ATOM 0 HA THR A 45 0.301 6.323 6.832 1.00 0.00 H new ATOM 0 HB THR A 45 0.639 8.220 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.600 8.011 3.365 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.077 8.475 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.629 7.733 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.278 6.723 5.470 1.00 0.00 H new ATOM 676 N TYR A 46 -1.780 6.721 5.101 1.00 0.00 N ATOM 677 CA TYR A 46 -3.061 6.519 4.436 1.00 0.00 C ATOM 678 C TYR A 46 -3.606 7.867 3.962 1.00 0.00 C ATOM 679 O TYR A 46 -3.457 8.876 4.649 1.00 0.00 O ATOM 680 CB TYR A 46 -4.021 5.792 5.389 1.00 0.00 C ATOM 681 CG TYR A 46 -5.390 5.530 4.797 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.509 4.761 3.624 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.538 6.087 5.388 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.760 4.572 3.018 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.799 5.878 4.805 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.910 5.132 3.609 1.00 0.00 C ATOM 687 OH TYR A 46 -9.117 4.959 3.011 1.00 0.00 O ATOM 0 H TYR A 46 -1.707 7.615 5.587 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.943 5.890 3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.575 4.842 5.683 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.135 6.385 6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.629 4.312 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.450 6.675 6.290 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.841 4.001 2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.684 6.287 5.270 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.831 5.182 3.644 1.00 0.00 H new ATOM 697 N ASP A 47 -4.313 7.864 2.834 1.00 0.00 N ATOM 698 CA ASP A 47 -4.906 9.019 2.180 1.00 0.00 C ATOM 699 C ASP A 47 -6.305 8.618 1.700 1.00 0.00 C ATOM 700 O ASP A 47 -6.460 8.192 0.553 1.00 0.00 O ATOM 701 CB ASP A 47 -4.051 9.436 0.963 1.00 0.00 C ATOM 702 CG ASP A 47 -2.689 10.055 1.270 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.729 9.331 1.613 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.542 11.281 1.068 1.00 0.00 O ATOM 0 H ASP A 47 -4.496 7.000 2.324 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.958 9.857 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.894 8.557 0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.625 10.149 0.371 1.00 0.00 H new ATOM 709 N ASP A 48 -7.347 8.719 2.535 1.00 0.00 N ATOM 710 CA ASP A 48 -8.725 8.346 2.147 1.00 0.00 C ATOM 711 C ASP A 48 -9.219 9.175 0.963 1.00 0.00 C ATOM 712 O ASP A 48 -9.997 8.704 0.135 1.00 0.00 O ATOM 713 CB ASP A 48 -9.720 8.506 3.302 1.00 0.00 C ATOM 714 CG ASP A 48 -10.853 7.468 3.214 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.693 7.500 2.287 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.908 6.544 4.061 1.00 0.00 O ATOM 0 H ASP A 48 -7.266 9.059 3.493 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.677 7.294 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.197 8.397 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.142 9.511 3.284 1.00 0.00 H new ATOM 721 N ALA A 49 -8.688 10.391 0.829 1.00 0.00 N ATOM 722 CA ALA A 49 -8.995 11.350 -0.234 1.00 0.00 C ATOM 723 C ALA A 49 -8.888 10.746 -1.646 1.00 0.00 C ATOM 724 O ALA A 49 -9.534 11.214 -2.588 1.00 0.00 O ATOM 725 CB ALA A 49 -8.010 12.503 -0.103 1.00 0.00 C ATOM 0 H ALA A 49 -8.000 10.751 1.490 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.029 11.674 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.208 13.241 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.123 12.969 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.993 12.126 -0.210 1.00 0.00 H new ATOM 731 N THR A 50 -8.016 9.753 -1.801 1.00 0.00 N ATOM 732 CA THR A 50 -7.758 8.995 -3.023 1.00 0.00 C ATOM 733 C THR A 50 -7.669 7.487 -2.668 1.00 0.00 C ATOM 734 O THR A 50 -7.274 6.648 -3.481 1.00 0.00 O ATOM 735 CB THR A 50 -6.528 9.600 -3.740 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.189 8.840 -4.881 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.314 9.740 -2.811 1.00 0.00 C ATOM 0 H THR A 50 -7.433 9.436 -1.026 1.00 0.00 H new ATOM 0 HA THR A 50 -8.570 9.069 -3.746 1.00 0.00 H new ATOM 0 HB THR A 50 -6.811 10.605 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.588 7.948 -4.810 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.479 10.169 -3.365 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.569 10.392 -1.975 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.031 8.758 -2.432 1.00 0.00 H new ATOM 745 N LYS A 51 -8.061 7.103 -1.446 1.00 0.00 N ATOM 746 CA LYS A 51 -8.040 5.750 -0.894 1.00 0.00 C ATOM 747 C LYS A 51 -6.697 5.095 -1.230 1.00 0.00 C ATOM 748 O LYS A 51 -6.643 4.009 -1.799 1.00 0.00 O ATOM 749 CB LYS A 51 -9.309 4.993 -1.332 1.00 0.00 C ATOM 750 CG LYS A 51 -10.559 5.837 -1.024 1.00 0.00 C ATOM 751 CD LYS A 51 -11.897 5.125 -1.216 1.00 0.00 C ATOM 752 CE LYS A 51 -12.255 4.226 -0.028 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.569 5.000 1.193 1.00 0.00 N ATOM 0 H LYS A 51 -8.425 7.779 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.088 5.741 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.262 4.774 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.369 4.036 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.497 6.184 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.544 6.722 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.683 5.867 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.859 4.524 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.111 3.605 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.424 3.552 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.062 4.590 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.273 5.988 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.593 4.966 1.372 1.00 0.00 H new ATOM 767 N THR A 52 -5.612 5.796 -0.918 1.00 0.00 N ATOM 768 CA THR A 52 -4.255 5.363 -1.183 1.00 0.00 C ATOM 769 C THR A 52 -3.509 5.145 0.130 1.00 0.00 C ATOM 770 O THR A 52 -3.877 5.697 1.160 1.00 0.00 O ATOM 771 CB THR A 52 -3.608 6.434 -2.075 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.325 6.568 -3.295 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.155 6.147 -2.440 1.00 0.00 C ATOM 0 H THR A 52 -5.660 6.707 -0.461 1.00 0.00 H new ATOM 0 HA THR A 52 -4.225 4.405 -1.703 1.00 0.00 H new ATOM 0 HB THR A 52 -3.639 7.346 -1.479 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.286 6.601 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.773 6.950 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.557 6.084 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.095 5.202 -2.980 1.00 0.00 H new ATOM 781 N PHE A 53 -2.454 4.346 0.087 1.00 0.00 N ATOM 782 CA PHE A 53 -1.553 3.986 1.163 1.00 0.00 C ATOM 783 C PHE A 53 -0.144 4.189 0.631 1.00 0.00 C ATOM 784 O PHE A 53 0.096 3.943 -0.551 1.00 0.00 O ATOM 785 CB PHE A 53 -1.728 2.503 1.479 1.00 0.00 C ATOM 786 CG PHE A 53 -2.980 2.166 2.243 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.972 2.133 3.650 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.133 1.811 1.531 1.00 0.00 C ATOM 789 CE1 PHE A 53 -4.114 1.702 4.345 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.270 1.366 2.226 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.257 1.307 3.630 1.00 0.00 C ATOM 0 H PHE A 53 -2.185 3.892 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.745 4.581 2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.728 1.944 0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.866 2.164 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.090 2.438 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.148 1.879 0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.113 1.674 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.154 1.069 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.129 0.957 4.162 1.00 0.00 H new ATOM 801 N THR A 54 0.790 4.615 1.474 1.00 0.00 N ATOM 802 CA THR A 54 2.166 4.819 1.057 1.00 0.00 C ATOM 803 C THR A 54 3.064 4.209 2.120 1.00 0.00 C ATOM 804 O THR A 54 2.771 4.370 3.302 1.00 0.00 O ATOM 805 CB THR A 54 2.452 6.316 0.861 1.00 0.00 C ATOM 806 OG1 THR A 54 1.386 6.969 0.192 1.00 0.00 O ATOM 807 CG2 THR A 54 3.755 6.550 0.103 1.00 0.00 C ATOM 0 H THR A 54 0.614 4.826 2.456 1.00 0.00 H new ATOM 0 HA THR A 54 2.356 4.337 0.098 1.00 0.00 H new ATOM 0 HB THR A 54 2.551 6.743 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.600 7.919 0.085 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.920 7.621 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.584 6.114 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.693 6.082 -0.880 1.00 0.00 H new ATOM 815 N VAL A 55 4.122 3.502 1.740 1.00 0.00 N ATOM 816 CA VAL A 55 5.062 2.905 2.684 1.00 0.00 C ATOM 817 C VAL A 55 6.418 3.520 2.379 1.00 0.00 C ATOM 818 O VAL A 55 6.973 3.280 1.304 1.00 0.00 O ATOM 819 CB VAL A 55 5.010 1.370 2.675 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.171 0.741 1.291 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.067 0.790 3.630 1.00 0.00 C ATOM 0 H VAL A 55 4.354 3.325 0.763 1.00 0.00 H new ATOM 0 HA VAL A 55 4.802 3.130 3.718 1.00 0.00 H new ATOM 0 HB VAL A 55 4.006 1.114 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.122 -0.345 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.371 1.090 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.135 1.029 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.016 -0.299 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.059 1.112 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.876 1.145 4.643 1.00 0.00 H new ATOM 831 N THR A 56 6.919 4.352 3.288 1.00 0.00 N ATOM 832 CA THR A 56 8.194 5.019 3.119 1.00 0.00 C ATOM 833 C THR A 56 9.306 4.235 3.815 1.00 0.00 C ATOM 834 O THR A 56 9.418 4.278 5.046 1.00 0.00 O ATOM 835 CB THR A 56 8.175 6.459 3.645 1.00 0.00 C ATOM 836 OG1 THR A 56 6.867 7.004 3.681 1.00 0.00 O ATOM 837 CG2 THR A 56 9.092 7.292 2.744 1.00 0.00 C ATOM 0 H THR A 56 6.446 4.579 4.163 1.00 0.00 H new ATOM 0 HA THR A 56 8.387 5.059 2.047 1.00 0.00 H new ATOM 0 HB THR A 56 8.530 6.471 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.904 7.921 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.102 8.325 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.103 6.887 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.724 7.257 1.719 1.00 0.00 H new ATOM 845 N GLU A 57 10.048 3.427 3.061 1.00 0.00 N ATOM 846 CA GLU A 57 11.167 2.663 3.580 1.00 0.00 C ATOM 847 C GLU A 57 12.180 3.715 4.022 1.00 0.00 C ATOM 848 O GLU A 57 12.262 4.781 3.366 1.00 0.00 O ATOM 849 CB GLU A 57 11.754 1.772 2.482 1.00 0.00 C ATOM 850 CG GLU A 57 12.529 0.557 2.963 1.00 0.00 C ATOM 851 CD GLU A 57 13.634 0.216 1.947 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.407 0.354 0.719 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.764 -0.089 2.390 1.00 0.00 O ATOM 0 H GLU A 57 9.883 3.287 2.064 1.00 0.00 H new ATOM 0 HA GLU A 57 10.879 2.002 4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.940 1.431 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.414 2.379 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.968 0.756 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.856 -0.292 3.083 1.00 0.00 H new TER 860 GLU A 57