USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=15 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 -56:sc= 0.631 USER MOD Set 1.2: A 52 THR OG1 : rot 176:sc= -1.3 USER MOD Set 2.1: A 45 THR OG1 : rot 74:sc= 0.996 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0.881 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 49:sc= 0.459 USER MOD Single : A 4 TYR OH : 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= 0.686 K(o=0.69,f=-0.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -64:sc= 1.1 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 41:sc=-0.000699 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -41:sc= 0.41 USER MOD Single : A 26 THR OG1 : rot -140:sc= 0 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= -0.179 X(o=-0.18,f=-0.011) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.902 K(o=-0.9,f=-0.11) USER MOD Single : A 46 TYR OH : rot -143:sc= 0.243 USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= 0.12 (180deg=0.0564) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.980 -0.030 -0.139 1.00 0.00 N ATOM 2 CA MET A 1 -15.777 -1.398 -0.677 1.00 0.00 C ATOM 3 C MET A 1 -15.446 -2.324 0.489 1.00 0.00 C ATOM 4 O MET A 1 -16.289 -3.153 0.817 1.00 0.00 O ATOM 5 CB MET A 1 -14.671 -1.389 -1.744 1.00 0.00 C ATOM 6 CG MET A 1 -14.469 -2.736 -2.443 1.00 0.00 C ATOM 7 SD MET A 1 -16.024 -3.453 -3.020 1.00 0.00 S ATOM 8 CE MET A 1 -16.271 -2.519 -4.554 1.00 0.00 C ATOM 0 H1 MET A 1 -16.207 0.620 -0.919 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.764 -0.038 0.544 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.111 0.289 0.335 1.00 0.00 H new ATOM 0 HA MET A 1 -16.681 -1.760 -1.166 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.910 -0.635 -2.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.733 -1.089 -1.277 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.796 -2.605 -3.290 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.985 -3.430 -1.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.194 -2.845 -5.034 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.337 -1.455 -4.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.431 -2.695 -5.226 1.00 0.00 H new ATOM 18 N GLY A 2 -14.256 -2.230 1.082 1.00 0.00 N ATOM 19 CA GLY A 2 -13.880 -2.966 2.294 1.00 0.00 C ATOM 20 C GLY A 2 -12.686 -2.352 3.020 1.00 0.00 C ATOM 21 O GLY A 2 -12.675 -1.158 3.311 1.00 0.00 O ATOM 0 H GLY A 2 -13.511 -1.630 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.733 -2.998 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.645 -3.997 2.028 1.00 0.00 H new ATOM 25 N THR A 3 -11.681 -3.184 3.309 1.00 0.00 N ATOM 26 CA THR A 3 -10.461 -2.836 4.054 1.00 0.00 C ATOM 27 C THR A 3 -9.227 -3.229 3.248 1.00 0.00 C ATOM 28 O THR A 3 -9.179 -4.311 2.672 1.00 0.00 O ATOM 29 CB THR A 3 -10.442 -3.506 5.438 1.00 0.00 C ATOM 30 OG1 THR A 3 -9.129 -3.523 5.943 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.955 -4.946 5.401 1.00 0.00 C ATOM 0 H THR A 3 -11.693 -4.162 3.019 1.00 0.00 H new ATOM 0 HA THR A 3 -10.452 -1.757 4.210 1.00 0.00 H new ATOM 0 HB THR A 3 -11.103 -2.921 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.737 -2.628 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.920 -5.371 6.404 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.983 -4.957 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.329 -5.538 4.734 1.00 0.00 H new ATOM 39 N TYR A 4 -8.237 -2.339 3.195 1.00 0.00 N ATOM 40 CA TYR A 4 -7.021 -2.502 2.389 1.00 0.00 C ATOM 41 C TYR A 4 -5.775 -2.726 3.272 1.00 0.00 C ATOM 42 O TYR A 4 -5.466 -1.913 4.133 1.00 0.00 O ATOM 43 CB TYR A 4 -6.848 -1.277 1.474 1.00 0.00 C ATOM 44 CG TYR A 4 -7.970 -1.098 0.469 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.146 -2.026 -0.577 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.873 -0.029 0.616 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.217 -1.883 -1.480 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.947 0.120 -0.281 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.121 -0.807 -1.333 1.00 0.00 C ATOM 50 OH TYR A 4 -11.161 -0.661 -2.198 1.00 0.00 O ATOM 0 H TYR A 4 -8.255 -1.465 3.721 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.128 -3.394 1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.780 -0.381 2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.904 -1.367 0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.457 -2.850 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.741 0.680 1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.347 -2.594 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.638 0.942 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.684 0.130 -1.951 1.00 0.00 H new ATOM 60 N LYS A 5 -5.059 -3.831 3.042 1.00 0.00 N ATOM 61 CA LYS A 5 -3.733 -4.068 3.643 1.00 0.00 C ATOM 62 C LYS A 5 -2.564 -3.510 2.797 1.00 0.00 C ATOM 63 O LYS A 5 -2.680 -3.433 1.578 1.00 0.00 O ATOM 64 CB LYS A 5 -3.599 -5.572 3.976 1.00 0.00 C ATOM 65 CG LYS A 5 -3.358 -5.814 5.476 1.00 0.00 C ATOM 66 CD LYS A 5 -2.828 -7.230 5.731 1.00 0.00 C ATOM 67 CE LYS A 5 -2.680 -7.455 7.241 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.400 -8.877 7.564 1.00 0.00 N ATOM 0 H LYS A 5 -5.377 -4.588 2.436 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.662 -3.501 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.505 -6.093 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.775 -5.997 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.645 -5.082 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.288 -5.667 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.510 -7.967 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.866 -7.365 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.873 -6.830 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.593 -7.141 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.307 -8.987 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.182 -9.471 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.515 -9.170 7.103 1.00 0.00 H new ATOM 82 N LEU A 6 -1.475 -3.097 3.450 1.00 0.00 N ATOM 83 CA LEU A 6 -0.333 -2.420 2.831 1.00 0.00 C ATOM 84 C LEU A 6 0.975 -2.955 3.433 1.00 0.00 C ATOM 85 O LEU A 6 1.045 -3.211 4.629 1.00 0.00 O ATOM 86 CB LEU A 6 -0.498 -0.896 3.035 1.00 0.00 C ATOM 87 CG LEU A 6 -0.526 -0.040 1.751 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.226 1.310 1.965 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.909 0.199 1.266 1.00 0.00 C ATOM 0 H LEU A 6 -1.360 -3.229 4.455 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.294 -2.618 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.423 -0.721 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.319 -0.543 3.665 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.096 -0.590 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.220 1.875 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.256 1.140 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.700 1.875 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.891 0.803 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.472 0.722 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.386 -0.758 1.054 1.00 0.00 H new ATOM 101 N ILE A 7 2.005 -3.120 2.605 1.00 0.00 N ATOM 102 CA ILE A 7 3.381 -3.438 3.013 1.00 0.00 C ATOM 103 C ILE A 7 4.366 -2.880 1.975 1.00 0.00 C ATOM 104 O ILE A 7 4.104 -2.990 0.782 1.00 0.00 O ATOM 105 CB ILE A 7 3.529 -4.965 3.257 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.992 -5.341 3.590 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.984 -5.793 2.078 1.00 0.00 C ATOM 108 CD1 ILE A 7 5.149 -6.747 4.180 1.00 0.00 C ATOM 0 H ILE A 7 1.905 -3.034 1.594 1.00 0.00 H new ATOM 0 HA ILE A 7 3.619 -2.957 3.962 1.00 0.00 H new ATOM 0 HB ILE A 7 2.919 -5.214 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.592 -5.269 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.393 -4.614 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.108 -6.855 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.926 -5.572 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.532 -5.539 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.202 -6.939 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.578 -6.819 5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.780 -7.484 3.467 1.00 0.00 H new ATOM 120 N LEU A 8 5.469 -2.275 2.423 1.00 0.00 N ATOM 121 CA LEU A 8 6.591 -1.851 1.583 1.00 0.00 C ATOM 122 C LEU A 8 7.770 -2.819 1.766 1.00 0.00 C ATOM 123 O LEU A 8 7.919 -3.399 2.837 1.00 0.00 O ATOM 124 CB LEU A 8 6.959 -0.395 1.954 1.00 0.00 C ATOM 125 CG LEU A 8 5.802 0.626 1.911 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.936 0.473 0.651 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.923 0.455 3.157 1.00 0.00 C ATOM 0 H LEU A 8 5.610 -2.060 3.410 1.00 0.00 H new ATOM 0 HA LEU A 8 6.320 -1.875 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.382 -0.393 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.743 -0.055 1.277 1.00 0.00 H new ATOM 0 HG LEU A 8 6.244 1.622 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.136 1.213 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.553 0.624 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.504 -0.527 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.106 1.176 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.515 -0.556 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.523 0.623 4.051 1.00 0.00 H new ATOM 139 N ASN A 9 8.592 -2.983 0.729 1.00 0.00 N ATOM 140 CA ASN A 9 9.880 -3.685 0.771 1.00 0.00 C ATOM 141 C ASN A 9 10.977 -2.832 0.089 1.00 0.00 C ATOM 142 O ASN A 9 11.078 -2.851 -1.133 1.00 0.00 O ATOM 143 CB ASN A 9 9.731 -5.078 0.118 1.00 0.00 C ATOM 144 CG ASN A 9 8.829 -6.040 0.889 1.00 0.00 C ATOM 145 OD1 ASN A 9 9.256 -6.805 1.741 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.540 -6.034 0.603 1.00 0.00 N ATOM 0 H ASN A 9 8.373 -2.618 -0.198 1.00 0.00 H new ATOM 0 HA ASN A 9 10.188 -3.834 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.333 -4.954 -0.889 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.719 -5.527 0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.906 -6.666 1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.178 -5.398 -0.107 1.00 0.00 H new ATOM 153 N GLY A 10 11.779 -2.107 0.871 1.00 0.00 N ATOM 154 CA GLY A 10 12.941 -1.359 0.385 1.00 0.00 C ATOM 155 C GLY A 10 14.268 -1.921 0.892 1.00 0.00 C ATOM 156 O GLY A 10 14.310 -2.884 1.650 1.00 0.00 O ATOM 0 H GLY A 10 11.637 -2.021 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.942 -1.368 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.852 -0.318 0.695 1.00 0.00 H new ATOM 160 N LYS A 11 15.372 -1.302 0.463 1.00 0.00 N ATOM 161 CA LYS A 11 16.733 -1.776 0.777 1.00 0.00 C ATOM 162 C LYS A 11 17.036 -1.819 2.295 1.00 0.00 C ATOM 163 O LYS A 11 17.439 -2.864 2.801 1.00 0.00 O ATOM 164 CB LYS A 11 17.750 -0.944 -0.038 1.00 0.00 C ATOM 165 CG LYS A 11 19.201 -1.380 0.228 1.00 0.00 C ATOM 166 CD LYS A 11 20.193 -0.516 -0.558 1.00 0.00 C ATOM 167 CE LYS A 11 21.607 -1.091 -0.402 1.00 0.00 C ATOM 168 NZ LYS A 11 21.844 -2.231 -1.323 1.00 0.00 N ATOM 0 H LYS A 11 15.353 -0.459 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 11 16.820 -2.820 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.531 -1.045 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.637 0.111 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.416 -1.306 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.326 -2.426 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.914 -0.490 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.164 0.511 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 11 22.341 -0.309 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.755 -1.419 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.810 -2.592 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.160 -2.988 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.728 -1.913 -2.306 1.00 0.00 H new ATOM 182 N THR A 12 16.873 -0.686 2.985 1.00 0.00 N ATOM 183 CA THR A 12 17.066 -0.529 4.437 1.00 0.00 C ATOM 184 C THR A 12 15.778 -0.021 5.080 1.00 0.00 C ATOM 185 O THR A 12 15.815 0.581 6.148 1.00 0.00 O ATOM 186 CB THR A 12 18.238 0.419 4.742 1.00 0.00 C ATOM 187 OG1 THR A 12 18.239 0.751 6.110 1.00 0.00 O ATOM 188 CG2 THR A 12 18.169 1.719 3.940 1.00 0.00 C ATOM 0 H THR A 12 16.592 0.184 2.533 1.00 0.00 H new ATOM 0 HA THR A 12 17.312 -1.503 4.860 1.00 0.00 H new ATOM 0 HB THR A 12 19.148 -0.111 4.461 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.423 1.249 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.021 2.350 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.193 1.491 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.244 2.245 4.178 1.00 0.00 H new ATOM 196 N LEU A 13 14.644 -0.254 4.417 1.00 0.00 N ATOM 197 CA LEU A 13 13.351 0.361 4.726 1.00 0.00 C ATOM 198 C LEU A 13 12.234 -0.685 4.582 1.00 0.00 C ATOM 199 O LEU A 13 12.199 -1.426 3.607 1.00 0.00 O ATOM 200 CB LEU A 13 13.149 1.574 3.792 1.00 0.00 C ATOM 201 CG LEU A 13 14.023 2.812 4.093 1.00 0.00 C ATOM 202 CD1 LEU A 13 14.206 3.712 2.861 1.00 0.00 C ATOM 203 CD2 LEU A 13 13.383 3.623 5.227 1.00 0.00 C ATOM 0 H LEU A 13 14.598 -0.896 3.626 1.00 0.00 H new ATOM 0 HA LEU A 13 13.322 0.717 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.345 1.256 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.102 1.873 3.838 1.00 0.00 H new ATOM 0 HG LEU A 13 15.010 2.454 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.827 4.568 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.688 3.145 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.232 4.062 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.998 4.497 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.386 3.946 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.309 3.003 6.121 1.00 0.00 H new ATOM 215 N LYS A 14 11.317 -0.739 5.553 1.00 0.00 N ATOM 216 CA LYS A 14 10.247 -1.752 5.592 1.00 0.00 C ATOM 217 C LYS A 14 9.000 -1.305 6.394 1.00 0.00 C ATOM 218 O LYS A 14 8.954 -0.173 6.863 1.00 0.00 O ATOM 219 CB LYS A 14 10.848 -3.094 6.073 1.00 0.00 C ATOM 220 CG LYS A 14 10.713 -4.202 5.015 1.00 0.00 C ATOM 221 CD LYS A 14 11.205 -5.550 5.558 1.00 0.00 C ATOM 222 CE LYS A 14 10.815 -6.666 4.580 1.00 0.00 C ATOM 223 NZ LYS A 14 11.232 -8.003 5.072 1.00 0.00 N ATOM 0 H LYS A 14 11.292 -0.085 6.335 1.00 0.00 H new ATOM 0 HA LYS A 14 9.858 -1.888 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.901 -2.952 6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.348 -3.406 6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.671 -4.289 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.286 -3.933 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.287 -5.529 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.768 -5.741 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.736 -6.655 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.275 -6.476 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.950 -8.730 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.265 -8.022 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.773 -8.195 5.985 1.00 0.00 H new ATOM 237 N GLY A 15 8.001 -2.179 6.513 1.00 0.00 N ATOM 238 CA GLY A 15 6.804 -1.954 7.329 1.00 0.00 C ATOM 239 C GLY A 15 5.523 -2.450 6.660 1.00 0.00 C ATOM 240 O GLY A 15 5.449 -2.517 5.440 1.00 0.00 O ATOM 0 H GLY A 15 7.999 -3.081 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.925 -2.458 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.709 -0.889 7.538 1.00 0.00 H new ATOM 244 N GLU A 16 4.530 -2.793 7.478 1.00 0.00 N ATOM 245 CA GLU A 16 3.211 -3.281 7.072 1.00 0.00 C ATOM 246 C GLU A 16 2.137 -2.553 7.902 1.00 0.00 C ATOM 247 O GLU A 16 2.428 -2.121 9.014 1.00 0.00 O ATOM 248 CB GLU A 16 3.163 -4.813 7.249 1.00 0.00 C ATOM 249 CG GLU A 16 3.345 -5.274 8.702 1.00 0.00 C ATOM 250 CD GLU A 16 3.360 -6.797 8.809 1.00 0.00 C ATOM 251 OE1 GLU A 16 4.477 -7.356 8.862 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.253 -7.376 8.857 1.00 0.00 O ATOM 0 H GLU A 16 4.627 -2.736 8.492 1.00 0.00 H new ATOM 0 HA GLU A 16 3.016 -3.070 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.207 -5.183 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.941 -5.265 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.277 -4.871 9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.538 -4.873 9.316 1.00 0.00 H new ATOM 259 N THR A 17 0.931 -2.396 7.351 1.00 0.00 N ATOM 260 CA THR A 17 -0.203 -1.678 7.951 1.00 0.00 C ATOM 261 C THR A 17 -1.497 -2.047 7.228 1.00 0.00 C ATOM 262 O THR A 17 -1.467 -2.800 6.258 1.00 0.00 O ATOM 263 CB THR A 17 0.021 -0.155 7.918 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.979 0.491 8.669 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.010 0.414 6.500 1.00 0.00 C ATOM 0 H THR A 17 0.705 -2.782 6.434 1.00 0.00 H new ATOM 0 HA THR A 17 -0.284 -1.978 8.996 1.00 0.00 H new ATOM 0 HB THR A 17 1.010 0.023 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.153 -0.018 9.488 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.153 1.491 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.775 -0.052 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.980 0.209 6.047 1.00 0.00 H new ATOM 273 N THR A 18 -2.627 -1.527 7.716 1.00 0.00 N ATOM 274 CA THR A 18 -3.985 -1.809 7.227 1.00 0.00 C ATOM 275 C THR A 18 -4.862 -0.567 7.380 1.00 0.00 C ATOM 276 O THR A 18 -4.617 0.255 8.259 1.00 0.00 O ATOM 277 CB THR A 18 -4.607 -3.008 7.966 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.829 -3.358 7.362 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.874 -2.715 9.442 1.00 0.00 C ATOM 0 H THR A 18 -2.623 -0.870 8.496 1.00 0.00 H new ATOM 0 HA THR A 18 -3.922 -2.070 6.171 1.00 0.00 H new ATOM 0 HB THR A 18 -3.886 -3.823 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.220 -4.122 7.834 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.312 -3.594 9.914 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.936 -2.466 9.939 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.564 -1.875 9.527 1.00 0.00 H new ATOM 287 N THR A 19 -5.868 -0.433 6.511 1.00 0.00 N ATOM 288 CA THR A 19 -6.638 0.796 6.271 1.00 0.00 C ATOM 289 C THR A 19 -8.090 0.449 5.953 1.00 0.00 C ATOM 290 O THR A 19 -8.368 -0.663 5.515 1.00 0.00 O ATOM 291 CB THR A 19 -6.018 1.628 5.134 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.995 0.873 3.946 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.589 2.072 5.441 1.00 0.00 C ATOM 0 H THR A 19 -6.183 -1.210 5.930 1.00 0.00 H new ATOM 0 HA THR A 19 -6.609 1.401 7.177 1.00 0.00 H new ATOM 0 HB THR A 19 -6.639 2.517 5.026 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.738 -0.051 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.202 2.655 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.584 2.684 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.960 1.195 5.594 1.00 0.00 H new ATOM 301 N GLU A 20 -8.997 1.393 6.190 1.00 0.00 N ATOM 302 CA GLU A 20 -10.408 1.346 5.807 1.00 0.00 C ATOM 303 C GLU A 20 -10.727 2.578 4.941 1.00 0.00 C ATOM 304 O GLU A 20 -10.158 3.640 5.171 1.00 0.00 O ATOM 305 CB GLU A 20 -11.278 1.272 7.080 1.00 0.00 C ATOM 306 CG GLU A 20 -11.400 -0.142 7.665 1.00 0.00 C ATOM 307 CD GLU A 20 -12.324 -0.169 8.880 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.529 -0.430 8.676 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.806 0.053 9.995 1.00 0.00 O ATOM 0 H GLU A 20 -8.757 2.255 6.679 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.627 0.458 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.855 1.933 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.275 1.647 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.781 -0.821 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.413 -0.505 7.950 1.00 0.00 H new ATOM 316 N ALA A 21 -11.600 2.422 3.943 1.00 0.00 N ATOM 317 CA ALA A 21 -12.006 3.473 3.007 1.00 0.00 C ATOM 318 C ALA A 21 -13.441 3.226 2.505 1.00 0.00 C ATOM 319 O ALA A 21 -13.809 2.087 2.255 1.00 0.00 O ATOM 320 CB ALA A 21 -10.995 3.530 1.849 1.00 0.00 C ATOM 0 H ALA A 21 -12.059 1.530 3.758 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.009 4.439 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.290 4.310 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.003 3.752 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.975 2.569 1.336 1.00 0.00 H new ATOM 326 N VAL A 22 -14.220 4.297 2.352 1.00 0.00 N ATOM 327 CA VAL A 22 -15.618 4.288 1.894 1.00 0.00 C ATOM 328 C VAL A 22 -15.646 4.041 0.379 1.00 0.00 C ATOM 329 O VAL A 22 -16.529 3.330 -0.081 1.00 0.00 O ATOM 330 CB VAL A 22 -16.362 5.591 2.296 1.00 0.00 C ATOM 331 CG1 VAL A 22 -16.497 5.764 3.820 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.704 6.844 1.690 1.00 0.00 C ATOM 0 H VAL A 22 -13.883 5.239 2.552 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.155 3.478 2.388 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.365 5.484 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.025 6.693 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.056 4.924 4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.506 5.798 4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.258 7.731 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.674 6.920 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.713 6.770 0.603 1.00 0.00 H new ATOM 342 N ASP A 23 -14.713 4.645 -0.356 1.00 0.00 N ATOM 343 CA ASP A 23 -14.551 4.556 -1.812 1.00 0.00 C ATOM 344 C ASP A 23 -13.084 4.195 -2.150 1.00 0.00 C ATOM 345 O ASP A 23 -12.209 4.369 -1.310 1.00 0.00 O ATOM 346 CB ASP A 23 -14.997 5.885 -2.466 1.00 0.00 C ATOM 347 CG ASP A 23 -15.624 5.729 -3.860 1.00 0.00 C ATOM 348 OD1 ASP A 23 -15.454 4.640 -4.449 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.297 6.684 -4.318 1.00 0.00 O ATOM 0 H ASP A 23 -14.007 5.245 0.071 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.183 3.765 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.717 6.375 -1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.134 6.546 -2.541 1.00 0.00 H new ATOM 354 N ALA A 24 -12.842 3.686 -3.359 1.00 0.00 N ATOM 355 CA ALA A 24 -11.522 3.299 -3.860 1.00 0.00 C ATOM 356 C ALA A 24 -10.618 4.536 -4.020 1.00 0.00 C ATOM 357 O ALA A 24 -9.408 4.435 -3.849 1.00 0.00 O ATOM 358 CB ALA A 24 -11.692 2.538 -5.187 1.00 0.00 C ATOM 0 H ALA A 24 -13.585 3.526 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.033 2.640 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.713 2.246 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.297 1.647 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.187 3.181 -5.915 1.00 0.00 H new ATOM 364 N ALA A 25 -11.215 5.685 -4.333 1.00 0.00 N ATOM 365 CA ALA A 25 -10.539 6.976 -4.467 1.00 0.00 C ATOM 366 C ALA A 25 -9.931 7.415 -3.121 1.00 0.00 C ATOM 367 O ALA A 25 -8.786 7.857 -3.084 1.00 0.00 O ATOM 368 CB ALA A 25 -11.539 8.013 -5.008 1.00 0.00 C ATOM 0 H ALA A 25 -12.218 5.745 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.713 6.888 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.043 8.978 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.908 7.689 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.376 8.107 -4.316 1.00 0.00 H new ATOM 374 N THR A 26 -10.698 7.274 -2.035 1.00 0.00 N ATOM 375 CA THR A 26 -10.262 7.470 -0.645 1.00 0.00 C ATOM 376 C THR A 26 -8.961 6.710 -0.396 1.00 0.00 C ATOM 377 O THR A 26 -7.961 7.306 -0.010 1.00 0.00 O ATOM 378 CB THR A 26 -11.350 7.024 0.349 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.572 7.645 0.029 1.00 0.00 O ATOM 380 CG2 THR A 26 -11.005 7.374 1.796 1.00 0.00 C ATOM 0 H THR A 26 -11.681 7.009 -2.101 1.00 0.00 H new ATOM 0 HA THR A 26 -10.087 8.534 -0.487 1.00 0.00 H new ATOM 0 HB THR A 26 -11.423 5.940 0.265 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.029 7.913 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.807 7.037 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.074 6.882 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.888 8.454 1.891 1.00 0.00 H new ATOM 388 N ALA A 27 -8.989 5.393 -0.602 1.00 0.00 N ATOM 389 CA ALA A 27 -7.842 4.493 -0.464 1.00 0.00 C ATOM 390 C ALA A 27 -6.664 4.978 -1.330 1.00 0.00 C ATOM 391 O ALA A 27 -5.601 5.264 -0.795 1.00 0.00 O ATOM 392 CB ALA A 27 -8.275 3.065 -0.832 1.00 0.00 C ATOM 0 H ALA A 27 -9.841 4.906 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.496 4.493 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.425 2.390 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.075 2.744 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.633 3.047 -1.862 1.00 0.00 H new ATOM 398 N GLU A 28 -6.879 5.074 -2.641 1.00 0.00 N ATOM 399 CA GLU A 28 -5.863 5.337 -3.660 1.00 0.00 C ATOM 400 C GLU A 28 -5.065 6.591 -3.250 1.00 0.00 C ATOM 401 O GLU A 28 -3.855 6.639 -3.435 1.00 0.00 O ATOM 402 CB GLU A 28 -6.551 5.494 -5.033 1.00 0.00 C ATOM 403 CG GLU A 28 -5.570 5.645 -6.203 1.00 0.00 C ATOM 404 CD GLU A 28 -6.293 5.991 -7.502 1.00 0.00 C ATOM 405 OE1 GLU A 28 -5.814 5.534 -8.563 1.00 0.00 O ATOM 406 OE2 GLU A 28 -7.326 6.689 -7.411 1.00 0.00 O ATOM 0 H GLU A 28 -7.811 4.965 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.161 4.508 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.185 4.626 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.205 6.366 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.844 6.424 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.012 4.718 -6.333 1.00 0.00 H new ATOM 413 N LYS A 29 -5.749 7.610 -2.722 1.00 0.00 N ATOM 414 CA LYS A 29 -5.115 8.883 -2.325 1.00 0.00 C ATOM 415 C LYS A 29 -4.153 8.742 -1.120 1.00 0.00 C ATOM 416 O LYS A 29 -3.196 9.500 -1.024 1.00 0.00 O ATOM 417 CB LYS A 29 -6.218 9.947 -2.121 1.00 0.00 C ATOM 418 CG LYS A 29 -6.684 10.562 -3.452 1.00 0.00 C ATOM 419 CD LYS A 29 -7.963 11.385 -3.265 1.00 0.00 C ATOM 420 CE LYS A 29 -8.244 12.188 -4.541 1.00 0.00 C ATOM 421 NZ LYS A 29 -9.490 12.986 -4.430 1.00 0.00 N ATOM 0 H LYS A 29 -6.755 7.582 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.460 9.216 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.070 9.493 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.843 10.736 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.896 11.197 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.861 9.770 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.803 10.727 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.854 12.059 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.404 12.853 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.323 11.507 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.644 13.514 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.296 12.350 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.405 13.654 -3.638 1.00 0.00 H new ATOM 435 N VAL A 30 -4.439 7.810 -0.212 1.00 0.00 N ATOM 436 CA VAL A 30 -3.564 7.380 0.889 1.00 0.00 C ATOM 437 C VAL A 30 -2.356 6.635 0.306 1.00 0.00 C ATOM 438 O VAL A 30 -1.240 6.827 0.777 1.00 0.00 O ATOM 439 CB VAL A 30 -4.336 6.530 1.937 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.455 5.467 2.618 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.012 7.404 3.008 1.00 0.00 C ATOM 0 H VAL A 30 -5.327 7.308 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.204 8.257 1.427 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.107 6.010 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.052 4.907 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.061 4.785 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.628 5.956 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.539 6.767 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.255 7.985 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.722 8.080 2.531 1.00 0.00 H new ATOM 451 N PHE A 31 -2.588 5.775 -0.687 1.00 0.00 N ATOM 452 CA PHE A 31 -1.619 4.795 -1.187 1.00 0.00 C ATOM 453 C PHE A 31 -0.319 5.488 -1.633 1.00 0.00 C ATOM 454 O PHE A 31 0.773 5.017 -1.339 1.00 0.00 O ATOM 455 CB PHE A 31 -2.257 3.976 -2.325 1.00 0.00 C ATOM 456 CG PHE A 31 -3.344 3.024 -1.867 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.535 2.763 -0.496 1.00 0.00 C ATOM 458 CD2 PHE A 31 -4.192 2.423 -2.818 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.573 1.909 -0.080 1.00 0.00 C ATOM 460 CE2 PHE A 31 -5.228 1.569 -2.398 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.419 1.313 -1.031 1.00 0.00 C ATOM 0 H PHE A 31 -3.480 5.739 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.350 4.109 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.676 4.662 -3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.477 3.405 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.885 3.218 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.047 2.618 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.720 1.711 0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.877 1.110 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.216 0.658 -0.710 1.00 0.00 H new ATOM 471 N LYS A 32 -0.443 6.616 -2.341 1.00 0.00 N ATOM 472 CA LYS A 32 0.713 7.364 -2.871 1.00 0.00 C ATOM 473 C LYS A 32 1.418 8.244 -1.810 1.00 0.00 C ATOM 474 O LYS A 32 2.561 8.642 -1.998 1.00 0.00 O ATOM 475 CB LYS A 32 0.268 8.143 -4.130 1.00 0.00 C ATOM 476 CG LYS A 32 0.138 7.231 -5.361 1.00 0.00 C ATOM 477 CD LYS A 32 -0.472 7.983 -6.548 1.00 0.00 C ATOM 478 CE LYS A 32 -0.735 6.999 -7.697 1.00 0.00 C ATOM 479 NZ LYS A 32 -1.441 7.647 -8.830 1.00 0.00 N ATOM 0 H LYS A 32 -1.344 7.039 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 32 1.487 6.653 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.689 8.627 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.989 8.933 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.120 6.847 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.484 6.370 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.402 8.465 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.204 8.772 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.212 6.588 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.329 6.162 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.600 6.949 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.356 8.017 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.863 8.429 -9.198 1.00 0.00 H new ATOM 493 N GLN A 33 0.720 8.568 -0.723 1.00 0.00 N ATOM 494 CA GLN A 33 1.243 9.362 0.386 1.00 0.00 C ATOM 495 C GLN A 33 2.032 8.441 1.326 1.00 0.00 C ATOM 496 O GLN A 33 3.200 8.701 1.584 1.00 0.00 O ATOM 497 CB GLN A 33 0.065 10.051 1.104 1.00 0.00 C ATOM 498 CG GLN A 33 0.494 10.975 2.257 1.00 0.00 C ATOM 499 CD GLN A 33 -0.540 11.057 3.383 1.00 0.00 C ATOM 500 OE1 GLN A 33 -0.969 12.110 3.817 1.00 0.00 O ATOM 501 NE2 GLN A 33 -0.991 9.939 3.911 1.00 0.00 N ATOM 0 H GLN A 33 -0.248 8.278 -0.586 1.00 0.00 H new ATOM 0 HA GLN A 33 1.920 10.139 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.501 10.632 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.607 9.287 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.439 10.619 2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.673 11.976 1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.651 9.040 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.680 9.971 4.662 1.00 0.00 H new ATOM 510 N TYR A 34 1.399 7.379 1.828 1.00 0.00 N ATOM 511 CA TYR A 34 1.884 6.593 2.967 1.00 0.00 C ATOM 512 C TYR A 34 3.272 5.982 2.693 1.00 0.00 C ATOM 513 O TYR A 34 4.115 5.959 3.582 1.00 0.00 O ATOM 514 CB TYR A 34 0.848 5.508 3.313 1.00 0.00 C ATOM 515 CG TYR A 34 1.419 4.343 4.101 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.690 3.116 3.462 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.728 4.508 5.464 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.262 2.051 4.186 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.303 3.450 6.192 1.00 0.00 C ATOM 520 CZ TYR A 34 2.571 2.217 5.556 1.00 0.00 C ATOM 521 OH TYR A 34 3.127 1.197 6.262 1.00 0.00 O ATOM 0 H TYR A 34 0.518 7.034 1.448 1.00 0.00 H new ATOM 0 HA TYR A 34 2.005 7.256 3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.040 5.961 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.410 5.130 2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.459 2.992 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.523 5.449 5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.464 1.110 3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.540 3.580 7.238 1.00 0.00 H new ATOM 0 HH TYR A 34 3.275 1.482 7.188 1.00 0.00 H new ATOM 531 N ALA A 35 3.494 5.507 1.467 1.00 0.00 N ATOM 532 CA ALA A 35 4.679 4.750 1.057 1.00 0.00 C ATOM 533 C ALA A 35 5.842 5.702 0.720 1.00 0.00 C ATOM 534 O ALA A 35 6.981 5.426 1.080 1.00 0.00 O ATOM 535 CB ALA A 35 4.311 3.849 -0.134 1.00 0.00 C ATOM 0 H ALA A 35 2.830 5.643 0.704 1.00 0.00 H new ATOM 0 HA ALA A 35 5.017 4.118 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.188 3.282 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.520 3.160 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.964 4.466 -0.963 1.00 0.00 H new ATOM 541 N ASN A 36 5.538 6.812 0.048 1.00 0.00 N ATOM 542 CA ASN A 36 6.478 7.894 -0.272 1.00 0.00 C ATOM 543 C ASN A 36 7.035 8.523 1.026 1.00 0.00 C ATOM 544 O ASN A 36 8.142 9.042 0.984 1.00 0.00 O ATOM 545 CB ASN A 36 5.780 8.935 -1.175 1.00 0.00 C ATOM 546 CG ASN A 36 6.737 9.838 -1.950 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.022 10.968 -1.581 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.262 9.362 -3.064 1.00 0.00 N ATOM 0 H ASN A 36 4.597 6.992 -0.303 1.00 0.00 H new ATOM 0 HA ASN A 36 7.330 7.494 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.139 8.412 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.132 9.557 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.902 9.937 -3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.028 8.420 -3.376 1.00 0.00 H new ATOM 555 N ASP A 37 6.279 8.459 2.122 1.00 0.00 N ATOM 556 CA ASP A 37 6.664 8.870 3.478 1.00 0.00 C ATOM 557 C ASP A 37 7.658 7.843 4.068 1.00 0.00 C ATOM 558 O ASP A 37 8.509 8.215 4.870 1.00 0.00 O ATOM 559 CB ASP A 37 5.397 9.035 4.348 1.00 0.00 C ATOM 560 CG ASP A 37 5.660 9.600 5.754 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.986 10.806 5.858 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.566 8.809 6.717 1.00 0.00 O ATOM 0 H ASP A 37 5.325 8.098 2.088 1.00 0.00 H new ATOM 0 HA ASP A 37 7.170 9.835 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.699 9.693 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.909 8.065 4.445 1.00 0.00 H new ATOM 567 N ASN A 38 7.530 6.574 3.680 1.00 0.00 N ATOM 568 CA ASN A 38 8.491 5.500 3.956 1.00 0.00 C ATOM 569 C ASN A 38 9.738 5.653 3.056 1.00 0.00 C ATOM 570 O ASN A 38 10.837 5.323 3.488 1.00 0.00 O ATOM 571 CB ASN A 38 7.802 4.128 3.775 1.00 0.00 C ATOM 572 CG ASN A 38 8.290 3.047 4.735 1.00 0.00 C ATOM 573 OD1 ASN A 38 9.400 3.072 5.248 1.00 0.00 O ATOM 574 ND2 ASN A 38 7.468 2.051 5.006 1.00 0.00 N ATOM 0 H ASN A 38 6.724 6.251 3.144 1.00 0.00 H new ATOM 0 HA ASN A 38 8.833 5.566 4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.727 4.255 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.961 3.787 2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.760 1.307 5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.541 2.025 4.581 1.00 0.00 H new ATOM 581 N GLY A 39 9.564 6.151 1.830 1.00 0.00 N ATOM 582 CA GLY A 39 10.605 6.180 0.799 1.00 0.00 C ATOM 583 C GLY A 39 10.651 4.906 -0.044 1.00 0.00 C ATOM 584 O GLY A 39 11.332 3.952 0.306 1.00 0.00 O ATOM 0 H GLY A 39 8.679 6.553 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.436 7.035 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.574 6.329 1.274 1.00 0.00 H new ATOM 588 N VAL A 40 9.914 4.911 -1.153 1.00 0.00 N ATOM 589 CA VAL A 40 9.748 3.782 -2.083 1.00 0.00 C ATOM 590 C VAL A 40 9.975 4.280 -3.518 1.00 0.00 C ATOM 591 O VAL A 40 9.712 5.447 -3.780 1.00 0.00 O ATOM 592 CB VAL A 40 8.367 3.092 -1.908 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.120 2.593 -0.471 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.206 4.002 -2.344 1.00 0.00 C ATOM 0 H VAL A 40 9.391 5.736 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 40 10.491 3.017 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 40 8.399 2.222 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.139 2.121 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.888 1.868 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.158 3.436 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.261 3.478 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.210 4.911 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.324 4.263 -3.396 1.00 0.00 H new ATOM 604 N ASP A 41 10.477 3.411 -4.394 1.00 0.00 N ATOM 605 CA ASP A 41 10.636 3.617 -5.840 1.00 0.00 C ATOM 606 C ASP A 41 10.468 2.269 -6.577 1.00 0.00 C ATOM 607 O ASP A 41 11.338 1.883 -7.352 1.00 0.00 O ATOM 608 CB ASP A 41 12.006 4.277 -6.120 1.00 0.00 C ATOM 609 CG ASP A 41 12.185 4.786 -7.558 1.00 0.00 C ATOM 610 OD1 ASP A 41 13.342 4.788 -8.028 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.162 5.139 -8.195 1.00 0.00 O ATOM 0 H ASP A 41 10.804 2.490 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 41 9.866 4.291 -6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.140 5.112 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.794 3.556 -5.902 1.00 0.00 H new ATOM 616 N GLY A 42 9.365 1.563 -6.320 1.00 0.00 N ATOM 617 CA GLY A 42 9.144 0.187 -6.774 1.00 0.00 C ATOM 618 C GLY A 42 7.916 0.043 -7.671 1.00 0.00 C ATOM 619 O GLY A 42 7.694 0.865 -8.551 1.00 0.00 O ATOM 0 H GLY A 42 8.585 1.938 -5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.025 -0.157 -7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.031 -0.462 -5.906 1.00 0.00 H new ATOM 623 N GLU A 43 7.134 -1.008 -7.430 1.00 0.00 N ATOM 624 CA GLU A 43 6.004 -1.443 -8.250 1.00 0.00 C ATOM 625 C GLU A 43 4.995 -2.182 -7.349 1.00 0.00 C ATOM 626 O GLU A 43 5.406 -2.890 -6.438 1.00 0.00 O ATOM 627 CB GLU A 43 6.525 -2.321 -9.406 1.00 0.00 C ATOM 628 CG GLU A 43 7.103 -3.667 -8.948 1.00 0.00 C ATOM 629 CD GLU A 43 7.580 -4.506 -10.132 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.751 -5.282 -10.655 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.760 -4.342 -10.507 1.00 0.00 O ATOM 0 H GLU A 43 7.278 -1.609 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 43 5.488 -0.593 -8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.710 -2.505 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.294 -1.772 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.935 -3.493 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.345 -4.219 -8.392 1.00 0.00 H new ATOM 638 N TRP A 44 3.697 -1.991 -7.592 1.00 0.00 N ATOM 639 CA TRP A 44 2.615 -2.450 -6.717 1.00 0.00 C ATOM 640 C TRP A 44 1.835 -3.621 -7.343 1.00 0.00 C ATOM 641 O TRP A 44 1.443 -3.541 -8.504 1.00 0.00 O ATOM 642 CB TRP A 44 1.693 -1.266 -6.377 1.00 0.00 C ATOM 643 CG TRP A 44 2.323 -0.196 -5.538 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.482 0.442 -5.813 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.820 0.404 -4.304 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.732 1.391 -4.842 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.735 1.418 -3.889 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.676 0.202 -3.500 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.527 2.195 -2.740 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.458 0.976 -2.345 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.376 1.970 -1.964 1.00 0.00 C ATOM 0 H TRP A 44 3.361 -1.502 -8.421 1.00 0.00 H new ATOM 0 HA TRP A 44 3.049 -2.831 -5.792 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.342 -0.819 -7.307 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.815 -1.646 -5.855 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.116 0.240 -6.663 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.552 1.997 -4.831 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.041 -0.557 -3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.240 2.955 -2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.424 0.805 -1.745 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.198 2.560 -1.077 1.00 0.00 H new ATOM 662 N THR A 45 1.613 -4.685 -6.566 1.00 0.00 N ATOM 663 CA THR A 45 0.804 -5.858 -6.927 1.00 0.00 C ATOM 664 C THR A 45 -0.303 -6.065 -5.893 1.00 0.00 C ATOM 665 O THR A 45 -0.098 -5.833 -4.708 1.00 0.00 O ATOM 666 CB THR A 45 1.673 -7.120 -7.049 1.00 0.00 C ATOM 667 OG1 THR A 45 2.722 -7.070 -6.113 1.00 0.00 O ATOM 668 CG2 THR A 45 2.286 -7.282 -8.440 1.00 0.00 C ATOM 0 H THR A 45 2.008 -4.758 -5.628 1.00 0.00 H new ATOM 0 HA THR A 45 0.351 -5.675 -7.901 1.00 0.00 H new ATOM 0 HB THR A 45 1.015 -7.969 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.368 -7.240 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.889 -8.189 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.491 -7.352 -9.182 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.916 -6.421 -8.663 1.00 0.00 H new ATOM 676 N TYR A 46 -1.481 -6.487 -6.354 1.00 0.00 N ATOM 677 CA TYR A 46 -2.706 -6.554 -5.550 1.00 0.00 C ATOM 678 C TYR A 46 -3.183 -8.007 -5.354 1.00 0.00 C ATOM 679 O TYR A 46 -3.232 -8.748 -6.327 1.00 0.00 O ATOM 680 CB TYR A 46 -3.795 -5.687 -6.209 1.00 0.00 C ATOM 681 CG TYR A 46 -5.146 -5.774 -5.524 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.346 -5.181 -4.262 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.220 -6.405 -6.181 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.613 -5.226 -3.651 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.491 -6.449 -5.577 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.691 -5.860 -4.309 1.00 0.00 C ATOM 687 OH TYR A 46 -8.920 -5.903 -3.729 1.00 0.00 O ATOM 0 H TYR A 46 -1.615 -6.799 -7.316 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.493 -6.163 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.466 -4.648 -6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.906 -5.989 -7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.524 -4.690 -3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.068 -6.856 -7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.761 -4.776 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.313 -6.933 -6.083 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.344 -6.765 -3.925 1.00 0.00 H new ATOM 697 N ASP A 47 -3.530 -8.369 -4.120 1.00 0.00 N ATOM 698 CA ASP A 47 -4.080 -9.667 -3.708 1.00 0.00 C ATOM 699 C ASP A 47 -5.452 -9.455 -3.025 1.00 0.00 C ATOM 700 O ASP A 47 -5.483 -8.906 -1.933 1.00 0.00 O ATOM 701 CB ASP A 47 -3.068 -10.390 -2.789 1.00 0.00 C ATOM 702 CG ASP A 47 -1.945 -11.127 -3.535 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.257 -12.089 -4.277 1.00 0.00 O ATOM 704 OD2 ASP A 47 -0.772 -10.745 -3.333 1.00 0.00 O ATOM 0 H ASP A 47 -3.430 -7.729 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.244 -10.304 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.621 -9.659 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.607 -11.107 -2.169 1.00 0.00 H new ATOM 709 N ASP A 48 -6.533 -9.877 -3.682 1.00 0.00 N ATOM 710 CA ASP A 48 -7.932 -9.618 -3.324 1.00 0.00 C ATOM 711 C ASP A 48 -8.317 -10.466 -2.089 1.00 0.00 C ATOM 712 O ASP A 48 -9.332 -10.193 -1.457 1.00 0.00 O ATOM 713 CB ASP A 48 -8.840 -9.903 -4.542 1.00 0.00 C ATOM 714 CG ASP A 48 -10.331 -9.618 -4.306 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.135 -10.582 -4.352 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.666 -8.430 -4.112 1.00 0.00 O ATOM 0 H ASP A 48 -6.453 -10.442 -4.528 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.067 -8.570 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.497 -9.301 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.724 -10.948 -4.829 1.00 0.00 H new ATOM 721 N ALA A 49 -7.515 -11.484 -1.774 1.00 0.00 N ATOM 722 CA ALA A 49 -7.669 -12.344 -0.598 1.00 0.00 C ATOM 723 C ALA A 49 -7.896 -11.498 0.669 1.00 0.00 C ATOM 724 O ALA A 49 -8.886 -11.701 1.369 1.00 0.00 O ATOM 725 CB ALA A 49 -6.429 -13.245 -0.469 1.00 0.00 C ATOM 0 H ALA A 49 -6.713 -11.742 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.548 -12.977 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.536 -13.888 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.332 -13.860 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.539 -12.626 -0.356 1.00 0.00 H new ATOM 731 N THR A 50 -6.990 -10.553 0.938 1.00 0.00 N ATOM 732 CA THR A 50 -7.071 -9.571 2.029 1.00 0.00 C ATOM 733 C THR A 50 -6.862 -8.163 1.481 1.00 0.00 C ATOM 734 O THR A 50 -6.354 -7.284 2.167 1.00 0.00 O ATOM 735 CB THR A 50 -6.044 -9.881 3.134 1.00 0.00 C ATOM 736 OG1 THR A 50 -5.768 -8.714 3.870 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.724 -10.414 2.578 1.00 0.00 C ATOM 0 H THR A 50 -6.144 -10.445 0.379 1.00 0.00 H new ATOM 0 HA THR A 50 -8.065 -9.633 2.473 1.00 0.00 H new ATOM 0 HB THR A 50 -6.488 -10.651 3.765 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.469 -8.006 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.038 -10.615 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.908 -11.335 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.284 -9.672 1.912 1.00 0.00 H new ATOM 745 N LYS A 51 -7.247 -7.947 0.218 1.00 0.00 N ATOM 746 CA LYS A 51 -6.988 -6.683 -0.497 1.00 0.00 C ATOM 747 C LYS A 51 -5.594 -6.079 -0.195 1.00 0.00 C ATOM 748 O LYS A 51 -5.512 -4.902 0.148 1.00 0.00 O ATOM 749 CB LYS A 51 -8.161 -5.713 -0.231 1.00 0.00 C ATOM 750 CG LYS A 51 -9.526 -6.413 -0.322 1.00 0.00 C ATOM 751 CD LYS A 51 -10.640 -5.418 -0.665 1.00 0.00 C ATOM 752 CE LYS A 51 -11.983 -6.156 -0.730 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.167 -6.859 -2.024 1.00 0.00 N ATOM 0 H LYS A 51 -7.746 -8.640 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.944 -6.885 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.047 -5.271 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.125 -4.896 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.487 -7.194 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.751 -6.901 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.682 -4.630 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.431 -4.937 -1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.041 -6.877 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.796 -5.444 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.852 -7.633 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.522 -6.189 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.256 -7.249 -2.340 1.00 0.00 H new ATOM 767 N THR A 52 -4.538 -6.890 -0.291 1.00 0.00 N ATOM 768 CA THR A 52 -3.161 -6.560 0.107 1.00 0.00 C ATOM 769 C THR A 52 -2.385 -6.025 -1.094 1.00 0.00 C ATOM 770 O THR A 52 -2.287 -6.696 -2.116 1.00 0.00 O ATOM 771 CB THR A 52 -2.448 -7.780 0.713 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.862 -7.964 2.046 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.927 -7.638 0.707 1.00 0.00 C ATOM 0 H THR A 52 -4.619 -7.836 -0.664 1.00 0.00 H new ATOM 0 HA THR A 52 -3.202 -5.787 0.875 1.00 0.00 H new ATOM 0 HB THR A 52 -2.717 -8.635 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.455 -8.780 2.405 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.477 -8.528 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.576 -7.523 -0.319 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.641 -6.762 1.289 1.00 0.00 H new ATOM 781 N PHE A 53 -1.852 -4.809 -0.970 1.00 0.00 N ATOM 782 CA PHE A 53 -0.887 -4.221 -1.902 1.00 0.00 C ATOM 783 C PHE A 53 0.556 -4.544 -1.473 1.00 0.00 C ATOM 784 O PHE A 53 0.963 -4.171 -0.374 1.00 0.00 O ATOM 785 CB PHE A 53 -1.131 -2.703 -2.006 1.00 0.00 C ATOM 786 CG PHE A 53 -2.273 -2.322 -2.928 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.096 -2.333 -4.325 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.529 -1.989 -2.384 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.174 -2.018 -5.173 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.603 -1.672 -3.233 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.426 -1.687 -4.627 1.00 0.00 C ATOM 0 H PHE A 53 -2.086 -4.187 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.027 -4.657 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.335 -2.309 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.218 -2.222 -2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.133 -2.583 -4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.667 -1.977 -1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.039 -2.031 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.565 -1.417 -2.814 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.252 -1.444 -5.279 1.00 0.00 H new ATOM 801 N THR A 54 1.314 -5.221 -2.342 1.00 0.00 N ATOM 802 CA THR A 54 2.716 -5.613 -2.136 1.00 0.00 C ATOM 803 C THR A 54 3.630 -4.752 -3.003 1.00 0.00 C ATOM 804 O THR A 54 3.396 -4.617 -4.196 1.00 0.00 O ATOM 805 CB THR A 54 2.926 -7.107 -2.442 1.00 0.00 C ATOM 806 OG1 THR A 54 2.012 -7.527 -3.426 1.00 0.00 O ATOM 807 CG2 THR A 54 2.738 -7.992 -1.210 1.00 0.00 C ATOM 0 H THR A 54 0.954 -5.524 -3.247 1.00 0.00 H new ATOM 0 HA THR A 54 2.968 -5.452 -1.088 1.00 0.00 H new ATOM 0 HB THR A 54 3.954 -7.212 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.152 -8.478 -3.618 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.898 -9.035 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.456 -7.704 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.726 -7.869 -0.825 1.00 0.00 H new ATOM 815 N VAL A 55 4.657 -4.165 -2.390 1.00 0.00 N ATOM 816 CA VAL A 55 5.670 -3.311 -3.029 1.00 0.00 C ATOM 817 C VAL A 55 7.044 -3.985 -2.901 1.00 0.00 C ATOM 818 O VAL A 55 7.330 -4.578 -1.864 1.00 0.00 O ATOM 819 CB VAL A 55 5.661 -1.871 -2.444 1.00 0.00 C ATOM 820 CG1 VAL A 55 6.867 -1.028 -2.895 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.357 -1.123 -2.769 1.00 0.00 C ATOM 0 H VAL A 55 4.817 -4.274 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 55 5.433 -3.201 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 55 5.733 -2.003 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.802 -0.034 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.789 -1.510 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.865 -0.942 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.396 -0.122 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.239 -1.051 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.511 -1.666 -2.347 1.00 0.00 H new ATOM 831 N THR A 56 7.862 -3.915 -3.955 1.00 0.00 N ATOM 832 CA THR A 56 9.287 -4.281 -3.962 1.00 0.00 C ATOM 833 C THR A 56 10.071 -3.304 -4.835 1.00 0.00 C ATOM 834 O THR A 56 9.682 -3.108 -5.983 1.00 0.00 O ATOM 835 CB THR A 56 9.489 -5.727 -4.448 1.00 0.00 C ATOM 836 OG1 THR A 56 8.789 -6.614 -3.611 1.00 0.00 O ATOM 837 CG2 THR A 56 10.959 -6.145 -4.459 1.00 0.00 C ATOM 0 H THR A 56 7.539 -3.589 -4.866 1.00 0.00 H new ATOM 0 HA THR A 56 9.662 -4.222 -2.940 1.00 0.00 H new ATOM 0 HB THR A 56 9.113 -5.767 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.920 -7.533 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.042 -7.174 -4.810 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.519 -5.488 -5.124 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.366 -6.072 -3.450 1.00 0.00 H new ATOM 845 N GLU A 57 11.127 -2.715 -4.275 1.00 0.00 N ATOM 846 CA GLU A 57 12.041 -1.717 -4.854 1.00 0.00 C ATOM 847 C GLU A 57 12.805 -2.368 -6.027 1.00 0.00 C ATOM 848 O GLU A 57 12.655 -1.850 -7.163 1.00 0.00 O ATOM 849 CB GLU A 57 12.974 -1.181 -3.743 1.00 0.00 C ATOM 850 CG GLU A 57 14.002 -0.135 -4.211 1.00 0.00 C ATOM 851 CD GLU A 57 15.114 0.111 -3.164 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.804 0.130 -1.946 1.00 0.00 O ATOM 853 OE2 GLU A 57 16.292 0.260 -3.571 1.00 0.00 O ATOM 0 H GLU A 57 11.393 -2.942 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 57 11.498 -0.861 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.362 -0.741 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.508 -2.022 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.454 -0.467 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.490 0.804 -4.421 1.00 0.00 H new TER 860 GLU A 57