USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 2 GLN : amide:sc= -2.68 X(o=-3.1,f=-3.4!) USER MOD Set 1.2: A 4 ASN : amide:sc= -0.38 X(o=-3.1,f=-2.7) USER MOD Single : A 9 SER OG : rot 56:sc= 1.21 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.45) USER MOD Single : A 16 GLN : amide:sc= -0.52 K(o=-0.52,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 171:sc= -3.92! USER MOD Single : A 20 HIS : no HD1:sc= -3.61 X(o=-3.6,f=-3.9!) USER MOD Single : A 21 SER OG : rot -135:sc= -0.708! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.498 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 60 GLN : amide:sc= -3.28 K(o=-3.3,f=-7.7!) USER MOD Single : A 62 LYS NZ :NH3+ -113:sc= -0.102 (180deg=-0.897) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.828 K(o=-0.83,f=-0.2) USER MOD Single : A 68 SER OG : rot 180:sc= 0.32 USER MOD Single : A 70 THR OG1 : rot 45:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.609 -1.671 -3.125 1.00 0.00 N ATOM 12 CA GLN A 2 1.642 -3.000 -3.725 1.00 0.00 C ATOM 13 C GLN A 2 3.050 -3.352 -4.192 1.00 0.00 C ATOM 14 O GLN A 2 3.634 -2.653 -5.021 1.00 0.00 O ATOM 15 CB GLN A 2 0.668 -3.074 -4.902 1.00 0.00 C ATOM 16 CG GLN A 2 0.738 -4.386 -5.667 1.00 0.00 C ATOM 17 CD GLN A 2 0.233 -5.563 -4.855 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.809 -5.482 -4.205 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.972 -6.665 -4.889 1.00 0.00 N ATOM 0 HA GLN A 2 1.340 -3.722 -2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.347 -2.932 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.875 -2.252 -5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.150 -4.301 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.769 -4.572 -5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.829 -6.687 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.683 -7.489 -4.362 1.00 0.00 H new ATOM 28 N VAL A 3 3.593 -4.440 -3.653 1.00 0.00 N ATOM 29 CA VAL A 3 4.933 -4.885 -4.015 1.00 0.00 C ATOM 30 C VAL A 3 4.975 -6.396 -4.214 1.00 0.00 C ATOM 31 O VAL A 3 4.647 -7.161 -3.309 1.00 0.00 O ATOM 32 CB VAL A 3 5.964 -4.491 -2.940 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.347 -5.003 -3.314 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.980 -2.983 -2.745 1.00 0.00 C ATOM 0 H VAL A 3 3.125 -5.029 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 3 5.189 -4.391 -4.952 1.00 0.00 H new ATOM 0 HB VAL A 3 5.674 -4.953 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.062 -4.715 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.322 -6.089 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.649 -4.572 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.714 -2.723 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.245 -2.497 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.993 -2.647 -2.429 1.00 0.00 H new ATOM 44 N ASN A 4 5.381 -6.819 -5.407 1.00 0.00 N ATOM 45 CA ASN A 4 5.466 -8.239 -5.726 1.00 0.00 C ATOM 46 C ASN A 4 6.903 -8.640 -6.045 1.00 0.00 C ATOM 47 O ASN A 4 7.449 -8.261 -7.082 1.00 0.00 O ATOM 48 CB ASN A 4 4.557 -8.572 -6.911 1.00 0.00 C ATOM 49 CG ASN A 4 4.515 -7.457 -7.938 1.00 0.00 C ATOM 50 OD1 ASN A 4 5.248 -7.480 -8.927 1.00 0.00 O ATOM 51 ND2 ASN A 4 3.653 -6.473 -7.708 1.00 0.00 N ATOM 0 H ASN A 4 5.656 -6.198 -6.168 1.00 0.00 H new ATOM 0 HA ASN A 4 5.136 -8.802 -4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.906 -9.488 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.548 -8.766 -6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.579 -5.696 -8.364 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.065 -6.495 -6.875 1.00 0.00 H new ATOM 58 N ILE A 5 7.510 -9.409 -5.147 1.00 0.00 N ATOM 59 CA ILE A 5 8.883 -9.862 -5.334 1.00 0.00 C ATOM 60 C ILE A 5 8.961 -11.385 -5.351 1.00 0.00 C ATOM 61 O ILE A 5 8.329 -12.058 -4.538 1.00 0.00 O ATOM 62 CB ILE A 5 9.809 -9.324 -4.227 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.758 -7.795 -4.188 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.235 -9.806 -4.448 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.180 -7.210 -2.859 1.00 0.00 C ATOM 0 H ILE A 5 7.073 -9.731 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 5 9.216 -9.472 -6.296 1.00 0.00 H new ATOM 0 HB ILE A 5 9.462 -9.705 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.403 -7.398 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.743 -7.468 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.877 -9.417 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.258 -10.896 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.594 -9.451 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.119 -6.123 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.520 -7.578 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.206 -7.507 -2.640 1.00 0.00 H new ATOM 77 N ALA A 6 9.743 -11.921 -6.282 1.00 0.00 N ATOM 78 CA ALA A 6 9.908 -13.365 -6.402 1.00 0.00 C ATOM 79 C ALA A 6 11.042 -13.864 -5.514 1.00 0.00 C ATOM 80 O ALA A 6 12.135 -13.298 -5.484 1.00 0.00 O ATOM 81 CB ALA A 6 10.164 -13.747 -7.852 1.00 0.00 C ATOM 0 H ALA A 6 10.272 -11.378 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 6 8.985 -13.840 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.285 -14.828 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.320 -13.433 -8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.071 -13.255 -8.203 1.00 0.00 H new ATOM 87 N PRO A 7 10.779 -14.949 -4.770 1.00 0.00 N ATOM 88 CA PRO A 7 11.766 -15.548 -3.866 1.00 0.00 C ATOM 89 C PRO A 7 12.909 -16.220 -4.620 1.00 0.00 C ATOM 90 O PRO A 7 13.100 -15.988 -5.812 1.00 0.00 O ATOM 91 CB PRO A 7 10.952 -16.586 -3.091 1.00 0.00 C ATOM 92 CG PRO A 7 9.819 -16.932 -3.994 1.00 0.00 C ATOM 93 CD PRO A 7 9.498 -15.675 -4.755 1.00 0.00 C ATOM 0 HA PRO A 7 12.245 -14.802 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.553 -17.464 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.594 -16.182 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.093 -17.740 -4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.956 -17.274 -3.423 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.148 -15.894 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.714 -15.097 -4.265 1.00 0.00 H new ATOM 101 N GLY A 8 13.665 -17.056 -3.915 1.00 0.00 N ATOM 102 CA GLY A 8 14.779 -17.750 -4.534 1.00 0.00 C ATOM 103 C GLY A 8 16.117 -17.131 -4.179 1.00 0.00 C ATOM 104 O GLY A 8 17.144 -17.481 -4.761 1.00 0.00 O ATOM 0 H GLY A 8 13.526 -17.265 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.771 -18.794 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.653 -17.740 -5.617 1.00 0.00 H new ATOM 108 N SER A 9 16.105 -16.208 -3.223 1.00 0.00 N ATOM 109 CA SER A 9 17.326 -15.535 -2.795 1.00 0.00 C ATOM 110 C SER A 9 17.025 -14.497 -1.719 1.00 0.00 C ATOM 111 O SER A 9 16.445 -13.447 -1.997 1.00 0.00 O ATOM 112 CB SER A 9 18.009 -14.866 -3.989 1.00 0.00 C ATOM 113 OG SER A 9 19.043 -15.683 -4.509 1.00 0.00 O ATOM 0 H SER A 9 15.264 -15.909 -2.730 1.00 0.00 H new ATOM 0 HA SER A 9 17.997 -16.284 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.273 -14.666 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.420 -13.904 -3.684 1.00 0.00 H new ATOM 0 HG SER A 9 18.681 -16.565 -4.735 1.00 0.00 H new ATOM 119 N LEU A 10 17.425 -14.798 -0.488 1.00 0.00 N ATOM 120 CA LEU A 10 17.199 -13.891 0.633 1.00 0.00 C ATOM 121 C LEU A 10 17.819 -12.524 0.361 1.00 0.00 C ATOM 122 O LEU A 10 17.162 -11.493 0.506 1.00 0.00 O ATOM 123 CB LEU A 10 17.782 -14.482 1.918 1.00 0.00 C ATOM 124 CG LEU A 10 17.269 -13.879 3.226 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.592 -14.794 4.398 1.00 0.00 C ATOM 126 CD2 LEU A 10 17.866 -12.497 3.447 1.00 0.00 C ATOM 0 H LEU A 10 17.907 -15.662 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 10 16.123 -13.764 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.575 -15.552 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.866 -14.367 1.888 1.00 0.00 H new ATOM 0 HG LEU A 10 16.186 -13.778 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.220 -14.349 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 10 17.117 -15.763 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.672 -14.927 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.490 -12.083 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.952 -12.573 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.584 -11.843 2.622 1.00 0.00 H new ATOM 138 N ASP A 11 19.086 -12.524 -0.036 1.00 0.00 N ATOM 139 CA ASP A 11 19.795 -11.284 -0.332 1.00 0.00 C ATOM 140 C ASP A 11 19.053 -10.474 -1.391 1.00 0.00 C ATOM 141 O ASP A 11 18.966 -9.249 -1.303 1.00 0.00 O ATOM 142 CB ASP A 11 21.217 -11.585 -0.806 1.00 0.00 C ATOM 143 CG ASP A 11 21.819 -10.439 -1.596 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.917 -9.324 -1.042 1.00 0.00 O ATOM 145 OD2 ASP A 11 22.192 -10.658 -2.767 1.00 0.00 O ATOM 0 H ASP A 11 19.644 -13.369 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 11 19.843 -10.694 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.847 -11.798 0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.209 -12.483 -1.424 1.00 0.00 H new ATOM 150 N LYS A 12 18.521 -11.166 -2.392 1.00 0.00 N ATOM 151 CA LYS A 12 17.786 -10.512 -3.469 1.00 0.00 C ATOM 152 C LYS A 12 16.461 -9.952 -2.962 1.00 0.00 C ATOM 153 O LYS A 12 16.187 -8.761 -3.101 1.00 0.00 O ATOM 154 CB LYS A 12 17.531 -11.498 -4.612 1.00 0.00 C ATOM 155 CG LYS A 12 18.765 -11.792 -5.448 1.00 0.00 C ATOM 156 CD LYS A 12 18.464 -11.707 -6.935 1.00 0.00 C ATOM 157 CE LYS A 12 18.358 -10.263 -7.401 1.00 0.00 C ATOM 158 NZ LYS A 12 18.313 -10.161 -8.886 1.00 0.00 N ATOM 0 H LYS A 12 18.585 -12.180 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 12 18.392 -9.685 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.152 -12.432 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.751 -11.097 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.554 -11.084 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.140 -12.787 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.249 -12.215 -7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.531 -12.229 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.461 -9.810 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.209 -9.696 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.241 -9.161 -9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.180 -10.570 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.486 -10.680 -9.245 1.00 0.00 H new ATOM 172 N ALA A 13 15.644 -10.819 -2.372 1.00 0.00 N ATOM 173 CA ALA A 13 14.350 -10.409 -1.841 1.00 0.00 C ATOM 174 C ALA A 13 14.491 -9.196 -0.928 1.00 0.00 C ATOM 175 O ALA A 13 13.561 -8.400 -0.788 1.00 0.00 O ATOM 176 CB ALA A 13 13.698 -11.563 -1.094 1.00 0.00 C ATOM 0 H ALA A 13 15.856 -11.809 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 13 13.713 -10.127 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.732 -11.244 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.554 -12.402 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.340 -11.871 -0.269 1.00 0.00 H new ATOM 182 N LEU A 14 15.657 -9.061 -0.307 1.00 0.00 N ATOM 183 CA LEU A 14 15.919 -7.944 0.594 1.00 0.00 C ATOM 184 C LEU A 14 16.059 -6.639 -0.182 1.00 0.00 C ATOM 185 O LEU A 14 15.352 -5.668 0.083 1.00 0.00 O ATOM 186 CB LEU A 14 17.188 -8.206 1.407 1.00 0.00 C ATOM 187 CG LEU A 14 17.985 -6.970 1.825 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.138 -6.060 2.702 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.259 -7.376 2.550 1.00 0.00 C ATOM 0 H LEU A 14 16.436 -9.711 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 14 15.072 -7.851 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.912 -8.757 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.841 -8.855 0.824 1.00 0.00 H new ATOM 0 HG LEU A 14 18.262 -6.420 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.722 -5.186 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.255 -5.741 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.830 -6.601 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.813 -6.483 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.004 -7.950 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.875 -7.987 1.890 1.00 0.00 H new ATOM 201 N ASN A 15 16.977 -6.624 -1.144 1.00 0.00 N ATOM 202 CA ASN A 15 17.209 -5.438 -1.961 1.00 0.00 C ATOM 203 C ASN A 15 15.949 -5.054 -2.731 1.00 0.00 C ATOM 204 O ASN A 15 15.705 -3.876 -2.991 1.00 0.00 O ATOM 205 CB ASN A 15 18.362 -5.683 -2.937 1.00 0.00 C ATOM 206 CG ASN A 15 17.877 -5.945 -4.350 1.00 0.00 C ATOM 207 OD1 ASN A 15 17.740 -5.020 -5.151 1.00 0.00 O ATOM 208 ND2 ASN A 15 17.616 -7.209 -4.661 1.00 0.00 N ATOM 0 H ASN A 15 17.572 -7.419 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 15 17.473 -4.615 -1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.024 -4.817 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.950 -6.534 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.287 -7.446 -5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.744 -7.943 -3.964 1.00 0.00 H new ATOM 215 N GLN A 16 15.153 -6.055 -3.091 1.00 0.00 N ATOM 216 CA GLN A 16 13.919 -5.821 -3.831 1.00 0.00 C ATOM 217 C GLN A 16 12.975 -4.918 -3.044 1.00 0.00 C ATOM 218 O GLN A 16 12.549 -3.871 -3.533 1.00 0.00 O ATOM 219 CB GLN A 16 13.228 -7.149 -4.146 1.00 0.00 C ATOM 220 CG GLN A 16 14.088 -8.104 -4.958 1.00 0.00 C ATOM 221 CD GLN A 16 13.706 -8.129 -6.425 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.857 -7.357 -6.871 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.333 -9.020 -7.185 1.00 0.00 N ATOM 0 H GLN A 16 15.340 -7.036 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 16 14.175 -5.322 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.946 -7.633 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.306 -6.949 -4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.135 -7.814 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.997 -9.109 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.030 -9.641 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.117 -9.083 -8.180 1.00 0.00 H new ATOM 232 N TYR A 17 12.652 -5.329 -1.823 1.00 0.00 N ATOM 233 CA TYR A 17 11.756 -4.559 -0.969 1.00 0.00 C ATOM 234 C TYR A 17 12.456 -3.317 -0.425 1.00 0.00 C ATOM 235 O TYR A 17 11.844 -2.258 -0.283 1.00 0.00 O ATOM 236 CB TYR A 17 11.253 -5.422 0.189 1.00 0.00 C ATOM 237 CG TYR A 17 12.109 -5.327 1.432 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.920 -4.304 2.352 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.105 -6.261 1.686 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.700 -4.213 3.488 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.889 -6.179 2.820 1.00 0.00 C ATOM 242 CZ TYR A 17 13.683 -5.153 3.718 1.00 0.00 C ATOM 243 OH TYR A 17 14.462 -5.066 4.850 1.00 0.00 O ATOM 0 H TYR A 17 12.998 -6.192 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 17 10.906 -4.241 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.234 -5.125 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.212 -6.462 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.150 -3.567 2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.269 -7.066 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.541 -3.410 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.659 -6.914 3.002 1.00 0.00 H new ATOM 0 HH TYR A 17 15.005 -5.877 4.937 1.00 0.00 H new ATOM 253 N ALA A 18 13.743 -3.455 -0.124 1.00 0.00 N ATOM 254 CA ALA A 18 14.528 -2.345 0.401 1.00 0.00 C ATOM 255 C ALA A 18 14.578 -1.189 -0.593 1.00 0.00 C ATOM 256 O ALA A 18 14.637 -0.024 -0.201 1.00 0.00 O ATOM 257 CB ALA A 18 15.935 -2.810 0.744 1.00 0.00 C ATOM 0 H ALA A 18 14.264 -4.325 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 18 14.044 -1.987 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.510 -1.971 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.885 -3.597 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.420 -3.196 -0.153 1.00 0.00 H new ATOM 263 N ALA A 19 14.555 -1.520 -1.880 1.00 0.00 N ATOM 264 CA ALA A 19 14.597 -0.509 -2.929 1.00 0.00 C ATOM 265 C ALA A 19 13.232 0.145 -3.116 1.00 0.00 C ATOM 266 O ALA A 19 13.139 1.305 -3.517 1.00 0.00 O ATOM 267 CB ALA A 19 15.072 -1.126 -4.237 1.00 0.00 C ATOM 0 H ALA A 19 14.508 -2.480 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 19 15.303 0.264 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.099 -0.360 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.071 -1.541 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.387 -1.920 -4.535 1.00 0.00 H new ATOM 273 N HIS A 20 12.176 -0.607 -2.823 1.00 0.00 N ATOM 274 CA HIS A 20 10.815 -0.099 -2.959 1.00 0.00 C ATOM 275 C HIS A 20 10.465 0.832 -1.802 1.00 0.00 C ATOM 276 O HIS A 20 9.618 1.715 -1.937 1.00 0.00 O ATOM 277 CB HIS A 20 9.819 -1.258 -3.016 1.00 0.00 C ATOM 278 CG HIS A 20 8.950 -1.361 -1.801 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.866 -0.538 -1.579 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.008 -2.198 -0.739 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.296 -0.863 -0.432 1.00 0.00 C ATOM 282 NE2 HIS A 20 7.970 -1.868 0.097 1.00 0.00 N ATOM 0 H HIS A 20 12.236 -1.569 -2.490 1.00 0.00 H new ATOM 0 HA HIS A 20 10.756 0.467 -3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.187 -1.140 -3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.367 -2.192 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.735 -2.980 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.427 -0.388 -0.001 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.754 -2.325 0.983 1.00 0.00 H new ATOM 290 N SER A 21 11.121 0.627 -0.664 1.00 0.00 N ATOM 291 CA SER A 21 10.876 1.445 0.518 1.00 0.00 C ATOM 292 C SER A 21 11.680 2.740 0.459 1.00 0.00 C ATOM 293 O SER A 21 11.116 3.832 0.396 1.00 0.00 O ATOM 294 CB SER A 21 11.233 0.667 1.786 1.00 0.00 C ATOM 295 OG SER A 21 11.349 1.534 2.900 1.00 0.00 O ATOM 0 H SER A 21 11.826 -0.099 -0.536 1.00 0.00 H new ATOM 0 HA SER A 21 9.816 1.697 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.468 -0.084 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.172 0.134 1.637 1.00 0.00 H new ATOM 0 HG SER A 21 12.155 1.306 3.409 1.00 0.00 H new ATOM 301 N GLY A 22 13.003 2.610 0.479 1.00 0.00 N ATOM 302 CA GLY A 22 13.864 3.776 0.428 1.00 0.00 C ATOM 303 C GLY A 22 14.701 3.935 1.682 1.00 0.00 C ATOM 304 O GLY A 22 15.139 5.038 2.009 1.00 0.00 O ATOM 0 H GLY A 22 13.494 1.717 0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.523 3.700 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.254 4.668 0.287 1.00 0.00 H new ATOM 308 N PHE A 23 14.923 2.830 2.386 1.00 0.00 N ATOM 309 CA PHE A 23 15.711 2.852 3.613 1.00 0.00 C ATOM 310 C PHE A 23 16.912 1.916 3.505 1.00 0.00 C ATOM 311 O PHE A 23 17.023 1.135 2.559 1.00 0.00 O ATOM 312 CB PHE A 23 14.844 2.451 4.808 1.00 0.00 C ATOM 313 CG PHE A 23 14.687 0.965 4.963 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.998 0.225 4.015 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.228 0.308 6.056 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.852 -1.142 4.156 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.085 -1.059 6.202 1.00 0.00 C ATOM 318 CZ PHE A 23 14.397 -1.785 5.250 1.00 0.00 C ATOM 0 H PHE A 23 14.569 1.909 2.128 1.00 0.00 H new ATOM 0 HA PHE A 23 16.076 3.868 3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.283 2.859 5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.858 2.903 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.571 0.722 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.768 0.871 6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.312 -1.707 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.511 -1.559 7.060 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.285 -2.853 5.361 1.00 0.00 H new ATOM 328 N THR A 24 17.810 2.001 4.481 1.00 0.00 N ATOM 329 CA THR A 24 19.004 1.165 4.496 1.00 0.00 C ATOM 330 C THR A 24 18.884 0.055 5.534 1.00 0.00 C ATOM 331 O THR A 24 18.218 0.216 6.557 1.00 0.00 O ATOM 332 CB THR A 24 20.268 1.995 4.792 1.00 0.00 C ATOM 333 OG1 THR A 24 20.299 3.155 3.953 1.00 0.00 O ATOM 334 CG2 THR A 24 21.524 1.166 4.568 1.00 0.00 C ATOM 0 H THR A 24 17.733 2.641 5.272 1.00 0.00 H new ATOM 0 HA THR A 24 19.093 0.723 3.504 1.00 0.00 H new ATOM 0 HB THR A 24 20.238 2.304 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.104 3.678 4.148 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.404 1.773 4.783 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.511 0.299 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.559 0.831 3.531 1.00 0.00 H new ATOM 342 N LEU A 25 19.534 -1.073 5.264 1.00 0.00 N ATOM 343 CA LEU A 25 19.501 -2.211 6.176 1.00 0.00 C ATOM 344 C LEU A 25 20.878 -2.856 6.291 1.00 0.00 C ATOM 345 O LEU A 25 21.588 -3.009 5.297 1.00 0.00 O ATOM 346 CB LEU A 25 18.479 -3.244 5.697 1.00 0.00 C ATOM 347 CG LEU A 25 18.258 -4.446 6.616 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.939 -4.312 7.361 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.294 -5.741 5.819 1.00 0.00 C ATOM 0 H LEU A 25 20.089 -1.223 4.422 1.00 0.00 H new ATOM 0 HA LEU A 25 19.207 -1.848 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.523 -2.740 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.794 -3.612 4.721 1.00 0.00 H new ATOM 0 HG LEU A 25 19.065 -4.472 7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.798 -5.176 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.952 -3.404 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.120 -4.260 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.135 -6.585 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.509 -5.725 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.264 -5.842 5.332 1.00 0.00 H new ATOM 361 N SER A 26 21.248 -3.235 7.510 1.00 0.00 N ATOM 362 CA SER A 26 22.541 -3.863 7.756 1.00 0.00 C ATOM 363 C SER A 26 22.368 -5.209 8.452 1.00 0.00 C ATOM 364 O SER A 26 22.116 -5.271 9.656 1.00 0.00 O ATOM 365 CB SER A 26 23.424 -2.946 8.606 1.00 0.00 C ATOM 366 OG SER A 26 24.553 -2.504 7.873 1.00 0.00 O ATOM 0 H SER A 26 20.671 -3.118 8.343 1.00 0.00 H new ATOM 0 HA SER A 26 23.024 -4.031 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.844 -2.086 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.752 -3.477 9.500 1.00 0.00 H new ATOM 0 HG SER A 26 25.100 -1.918 8.437 1.00 0.00 H new ATOM 372 N VAL A 27 22.505 -6.287 7.686 1.00 0.00 N ATOM 373 CA VAL A 27 22.365 -7.633 8.228 1.00 0.00 C ATOM 374 C VAL A 27 23.516 -8.528 7.781 1.00 0.00 C ATOM 375 O VAL A 27 23.935 -8.486 6.625 1.00 0.00 O ATOM 376 CB VAL A 27 21.033 -8.276 7.796 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.823 -8.116 6.298 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.996 -9.743 8.195 1.00 0.00 C ATOM 0 H VAL A 27 22.713 -6.254 6.688 1.00 0.00 H new ATOM 0 HA VAL A 27 22.381 -7.540 9.314 1.00 0.00 H new ATOM 0 HB VAL A 27 20.219 -7.763 8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.877 -8.576 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.802 -7.056 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.639 -8.601 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.048 -10.181 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.818 -10.272 7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.096 -9.828 9.277 1.00 0.00 H new ATOM 388 N ASP A 28 24.022 -9.336 8.706 1.00 0.00 N ATOM 389 CA ASP A 28 25.125 -10.243 8.408 1.00 0.00 C ATOM 390 C ASP A 28 24.787 -11.135 7.218 1.00 0.00 C ATOM 391 O ASP A 28 24.063 -12.121 7.354 1.00 0.00 O ATOM 392 CB ASP A 28 25.451 -11.102 9.630 1.00 0.00 C ATOM 393 CG ASP A 28 25.943 -10.278 10.803 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.155 -9.981 10.854 1.00 0.00 O ATOM 395 OD2 ASP A 28 25.116 -9.928 11.671 1.00 0.00 O ATOM 0 H ASP A 28 23.686 -9.382 9.668 1.00 0.00 H new ATOM 0 HA ASP A 28 25.999 -9.643 8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.562 -11.657 9.928 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.210 -11.836 9.362 1.00 0.00 H new ATOM 524 N SER A 37 14.413 -16.909 0.788 1.00 0.00 N ATOM 525 CA SER A 37 13.381 -16.264 1.591 1.00 0.00 C ATOM 526 C SER A 37 12.108 -16.058 0.776 1.00 0.00 C ATOM 527 O SER A 37 12.151 -15.973 -0.451 1.00 0.00 O ATOM 528 CB SER A 37 13.882 -14.920 2.123 1.00 0.00 C ATOM 529 OG SER A 37 12.819 -14.157 2.665 1.00 0.00 O ATOM 0 HA SER A 37 13.152 -16.917 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.640 -15.088 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.360 -14.362 1.318 1.00 0.00 H new ATOM 0 HG SER A 37 13.166 -13.304 2.999 1.00 0.00 H new ATOM 535 N ASN A 38 10.976 -15.979 1.468 1.00 0.00 N ATOM 536 CA ASN A 38 9.689 -15.784 0.809 1.00 0.00 C ATOM 537 C ASN A 38 9.526 -14.337 0.353 1.00 0.00 C ATOM 538 O ASN A 38 9.589 -13.410 1.160 1.00 0.00 O ATOM 539 CB ASN A 38 8.546 -16.165 1.751 1.00 0.00 C ATOM 540 CG ASN A 38 8.292 -17.660 1.775 1.00 0.00 C ATOM 541 OD1 ASN A 38 8.770 -18.369 2.661 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.534 -18.147 0.799 1.00 0.00 N ATOM 0 H ASN A 38 10.923 -16.047 2.484 1.00 0.00 H new ATOM 0 HA ASN A 38 9.657 -16.430 -0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.780 -15.823 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.637 -15.649 1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.327 -19.145 0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.158 -17.523 0.085 1.00 0.00 H new ATOM 549 N GLY A 39 9.315 -14.151 -0.947 1.00 0.00 N ATOM 550 CA GLY A 39 9.145 -12.815 -1.487 1.00 0.00 C ATOM 551 C GLY A 39 7.919 -12.117 -0.932 1.00 0.00 C ATOM 552 O GLY A 39 7.279 -12.614 -0.005 1.00 0.00 O ATOM 0 H GLY A 39 9.259 -14.902 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.031 -12.220 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.066 -12.873 -2.573 1.00 0.00 H new ATOM 556 N LEU A 40 7.593 -10.960 -1.499 1.00 0.00 N ATOM 557 CA LEU A 40 6.436 -10.190 -1.054 1.00 0.00 C ATOM 558 C LEU A 40 5.308 -10.260 -2.078 1.00 0.00 C ATOM 559 O LEU A 40 5.540 -10.547 -3.253 1.00 0.00 O ATOM 560 CB LEU A 40 6.831 -8.733 -0.812 1.00 0.00 C ATOM 561 CG LEU A 40 5.758 -7.840 -0.188 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.269 -8.431 1.125 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.292 -6.432 0.025 1.00 0.00 C ATOM 0 H LEU A 40 8.113 -10.535 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 40 6.080 -10.623 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.708 -8.718 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.130 -8.296 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 40 4.914 -7.786 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.506 -7.782 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.845 -9.419 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.105 -8.517 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.514 -5.811 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.154 -6.467 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.591 -6.007 -0.933 1.00 0.00 H new ATOM 575 N HIS A 41 4.087 -9.994 -1.626 1.00 0.00 N ATOM 576 CA HIS A 41 2.923 -10.024 -2.504 1.00 0.00 C ATOM 577 C HIS A 41 1.761 -9.248 -1.892 1.00 0.00 C ATOM 578 O HIS A 41 1.066 -9.746 -1.008 1.00 0.00 O ATOM 579 CB HIS A 41 2.500 -11.468 -2.777 1.00 0.00 C ATOM 580 CG HIS A 41 2.086 -11.713 -4.195 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.811 -12.099 -4.550 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.786 -11.623 -5.350 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.745 -12.238 -5.862 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.930 -11.954 -6.372 1.00 0.00 N ATOM 0 H HIS A 41 3.878 -9.755 -0.657 1.00 0.00 H new ATOM 0 HA HIS A 41 3.197 -9.550 -3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.327 -12.133 -2.529 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.673 -11.727 -2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.824 -11.343 -5.450 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.129 -12.534 -6.423 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.170 -11.977 -7.363 1.00 0.00 H new ATOM 592 N GLY A 42 1.556 -8.023 -2.369 1.00 0.00 N ATOM 593 CA GLY A 42 0.478 -7.198 -1.857 1.00 0.00 C ATOM 594 C GLY A 42 0.962 -5.843 -1.381 1.00 0.00 C ATOM 595 O GLY A 42 2.120 -5.482 -1.587 1.00 0.00 O ATOM 0 H GLY A 42 2.118 -7.588 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.271 -7.060 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.012 -7.716 -1.032 1.00 0.00 H new ATOM 599 N ASP A 43 0.072 -5.090 -0.743 1.00 0.00 N ATOM 600 CA ASP A 43 0.414 -3.766 -0.237 1.00 0.00 C ATOM 601 C ASP A 43 0.923 -3.848 1.199 1.00 0.00 C ATOM 602 O ASP A 43 0.200 -4.271 2.102 1.00 0.00 O ATOM 603 CB ASP A 43 -0.801 -2.840 -0.308 1.00 0.00 C ATOM 604 CG ASP A 43 -2.017 -3.425 0.384 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.782 -4.157 -0.279 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.202 -3.152 1.588 1.00 0.00 O ATOM 0 H ASP A 43 -0.891 -5.374 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 43 1.208 -3.359 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.552 -1.883 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.042 -2.641 -1.352 1.00 0.00 H new ATOM 611 N TYR A 44 2.171 -3.443 1.403 1.00 0.00 N ATOM 612 CA TYR A 44 2.779 -3.474 2.728 1.00 0.00 C ATOM 613 C TYR A 44 3.849 -2.395 2.862 1.00 0.00 C ATOM 614 O TYR A 44 4.729 -2.269 2.011 1.00 0.00 O ATOM 615 CB TYR A 44 3.388 -4.850 3.000 1.00 0.00 C ATOM 616 CG TYR A 44 2.385 -5.979 2.943 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.534 -6.234 4.012 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.286 -6.791 1.820 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.616 -7.265 3.964 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.370 -7.823 1.763 1.00 0.00 C ATOM 621 CZ TYR A 44 0.538 -8.057 2.838 1.00 0.00 C ATOM 622 OH TYR A 44 -0.377 -9.084 2.786 1.00 0.00 O ATOM 0 H TYR A 44 2.782 -3.089 0.667 1.00 0.00 H new ATOM 0 HA TYR A 44 1.998 -3.278 3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.177 -5.039 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.858 -4.842 3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.592 -5.615 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.937 -6.612 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.037 -7.450 4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.305 -8.444 0.881 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.304 -9.544 1.924 1.00 0.00 H new ATOM 632 N ASP A 45 3.767 -1.620 3.938 1.00 0.00 N ATOM 633 CA ASP A 45 4.728 -0.553 4.187 1.00 0.00 C ATOM 634 C ASP A 45 6.144 -1.111 4.298 1.00 0.00 C ATOM 635 O ASP A 45 6.371 -2.302 4.086 1.00 0.00 O ATOM 636 CB ASP A 45 4.364 0.204 5.466 1.00 0.00 C ATOM 637 CG ASP A 45 2.910 0.634 5.489 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.406 1.080 4.437 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.277 0.524 6.560 1.00 0.00 O ATOM 0 H ASP A 45 3.044 -1.711 4.652 1.00 0.00 H new ATOM 0 HA ASP A 45 4.693 0.136 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.567 -0.429 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.002 1.083 5.559 1.00 0.00 H new ATOM 644 N VAL A 46 7.093 -0.242 4.630 1.00 0.00 N ATOM 645 CA VAL A 46 8.487 -0.648 4.769 1.00 0.00 C ATOM 646 C VAL A 46 8.646 -1.700 5.860 1.00 0.00 C ATOM 647 O VAL A 46 9.318 -2.713 5.666 1.00 0.00 O ATOM 648 CB VAL A 46 9.392 0.555 5.094 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.867 1.306 6.308 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.825 0.097 5.318 1.00 0.00 C ATOM 0 H VAL A 46 6.922 0.748 4.808 1.00 0.00 H new ATOM 0 HA VAL A 46 8.790 -1.073 3.812 1.00 0.00 H new ATOM 0 HB VAL A 46 9.381 1.237 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.519 2.153 6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.859 1.667 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.846 0.637 7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.451 0.959 5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.857 -0.605 6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.196 -0.392 4.417 1.00 0.00 H new ATOM 660 N GLU A 47 8.024 -1.453 7.009 1.00 0.00 N ATOM 661 CA GLU A 47 8.098 -2.379 8.132 1.00 0.00 C ATOM 662 C GLU A 47 7.249 -3.621 7.870 1.00 0.00 C ATOM 663 O GLU A 47 7.733 -4.748 7.969 1.00 0.00 O ATOM 664 CB GLU A 47 7.634 -1.694 9.419 1.00 0.00 C ATOM 665 CG GLU A 47 8.546 -0.565 9.870 1.00 0.00 C ATOM 666 CD GLU A 47 7.789 0.561 10.547 1.00 0.00 C ATOM 667 OE1 GLU A 47 6.713 0.293 11.122 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.273 1.712 10.502 1.00 0.00 O ATOM 0 H GLU A 47 7.463 -0.619 7.186 1.00 0.00 H new ATOM 0 HA GLU A 47 9.137 -2.687 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.629 -1.300 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.570 -2.437 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.294 -0.960 10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.083 -0.170 9.008 1.00 0.00 H new ATOM 675 N SER A 48 5.981 -3.404 7.536 1.00 0.00 N ATOM 676 CA SER A 48 5.064 -4.504 7.264 1.00 0.00 C ATOM 677 C SER A 48 5.621 -5.421 6.179 1.00 0.00 C ATOM 678 O SER A 48 5.685 -6.637 6.350 1.00 0.00 O ATOM 679 CB SER A 48 3.698 -3.963 6.838 1.00 0.00 C ATOM 680 OG SER A 48 2.649 -4.760 7.360 1.00 0.00 O ATOM 0 H SER A 48 5.566 -2.477 7.447 1.00 0.00 H new ATOM 0 HA SER A 48 4.949 -5.083 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.586 -2.936 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.635 -3.941 5.750 1.00 0.00 H new ATOM 0 HG SER A 48 1.786 -4.393 7.075 1.00 0.00 H new ATOM 686 N GLY A 49 6.024 -4.826 5.060 1.00 0.00 N ATOM 687 CA GLY A 49 6.571 -5.602 3.962 1.00 0.00 C ATOM 688 C GLY A 49 7.866 -6.297 4.333 1.00 0.00 C ATOM 689 O GLY A 49 8.063 -7.471 4.015 1.00 0.00 O ATOM 0 H GLY A 49 5.981 -3.820 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.840 -6.347 3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.745 -4.946 3.109 1.00 0.00 H new ATOM 693 N LEU A 50 8.753 -5.573 5.006 1.00 0.00 N ATOM 694 CA LEU A 50 10.038 -6.126 5.419 1.00 0.00 C ATOM 695 C LEU A 50 9.848 -7.438 6.174 1.00 0.00 C ATOM 696 O LEU A 50 10.439 -8.458 5.822 1.00 0.00 O ATOM 697 CB LEU A 50 10.790 -5.123 6.296 1.00 0.00 C ATOM 698 CG LEU A 50 11.763 -5.719 7.313 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.779 -6.614 6.620 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.465 -4.614 8.090 1.00 0.00 C ATOM 0 H LEU A 50 8.606 -4.601 5.278 1.00 0.00 H new ATOM 0 HA LEU A 50 10.625 -6.326 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.345 -4.446 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.058 -4.520 6.833 1.00 0.00 H new ATOM 0 HG LEU A 50 11.195 -6.327 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.463 -7.029 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.261 -7.426 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.343 -6.030 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.154 -5.056 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.020 -3.979 7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.724 -4.014 8.619 1.00 0.00 H new ATOM 712 N GLN A 51 9.019 -7.402 7.212 1.00 0.00 N ATOM 713 CA GLN A 51 8.751 -8.588 8.016 1.00 0.00 C ATOM 714 C GLN A 51 8.058 -9.663 7.185 1.00 0.00 C ATOM 715 O GLN A 51 8.155 -10.852 7.487 1.00 0.00 O ATOM 716 CB GLN A 51 7.887 -8.226 9.226 1.00 0.00 C ATOM 717 CG GLN A 51 8.504 -7.160 10.116 1.00 0.00 C ATOM 718 CD GLN A 51 9.030 -7.722 11.422 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.319 -7.759 12.427 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.282 -8.165 11.414 1.00 0.00 N ATOM 0 H GLN A 51 8.522 -6.565 7.516 1.00 0.00 H new ATOM 0 HA GLN A 51 9.705 -8.983 8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.915 -7.878 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.710 -9.124 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.319 -6.672 9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.759 -6.394 10.329 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.835 -8.115 10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.690 -8.555 12.263 1.00 0.00 H new ATOM 729 N GLN A 52 7.359 -9.237 6.139 1.00 0.00 N ATOM 730 CA GLN A 52 6.649 -10.164 5.265 1.00 0.00 C ATOM 731 C GLN A 52 7.624 -10.930 4.378 1.00 0.00 C ATOM 732 O GLN A 52 7.347 -12.055 3.960 1.00 0.00 O ATOM 733 CB GLN A 52 5.638 -9.410 4.400 1.00 0.00 C ATOM 734 CG GLN A 52 4.194 -9.803 4.669 1.00 0.00 C ATOM 735 CD GLN A 52 3.977 -11.302 4.612 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.607 -11.926 5.607 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.207 -11.890 3.444 1.00 0.00 N ATOM 0 H GLN A 52 7.269 -8.256 5.875 1.00 0.00 H new ATOM 0 HA GLN A 52 6.117 -10.880 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.752 -8.340 4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.865 -9.591 3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.898 -9.434 5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.547 -9.318 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.513 -11.335 2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.078 -12.897 3.346 1.00 0.00 H new ATOM 746 N LEU A 53 8.765 -10.314 4.092 1.00 0.00 N ATOM 747 CA LEU A 53 9.783 -10.938 3.252 1.00 0.00 C ATOM 748 C LEU A 53 10.514 -12.040 4.012 1.00 0.00 C ATOM 749 O LEU A 53 10.592 -13.180 3.552 1.00 0.00 O ATOM 750 CB LEU A 53 10.783 -9.889 2.764 1.00 0.00 C ATOM 751 CG LEU A 53 10.505 -9.287 1.385 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.924 -10.338 0.452 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.565 -8.097 1.502 1.00 0.00 C ATOM 0 H LEU A 53 9.009 -9.383 4.429 1.00 0.00 H new ATOM 0 HA LEU A 53 9.286 -11.384 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.814 -9.079 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.775 -10.341 2.748 1.00 0.00 H new ATOM 0 HG LEU A 53 11.448 -8.939 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.733 -9.892 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.632 -11.159 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.990 -10.717 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.379 -7.682 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.622 -8.420 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.020 -7.335 2.135 1.00 0.00 H new ATOM 765 N LEU A 54 11.048 -11.693 5.178 1.00 0.00 N ATOM 766 CA LEU A 54 11.772 -12.653 6.004 1.00 0.00 C ATOM 767 C LEU A 54 10.806 -13.523 6.802 1.00 0.00 C ATOM 768 O LEU A 54 11.221 -14.441 7.509 1.00 0.00 O ATOM 769 CB LEU A 54 12.723 -11.923 6.954 1.00 0.00 C ATOM 770 CG LEU A 54 12.248 -11.780 8.400 1.00 0.00 C ATOM 771 CD1 LEU A 54 13.197 -10.891 9.189 1.00 0.00 C ATOM 772 CD2 LEU A 54 10.832 -11.223 8.444 1.00 0.00 C ATOM 0 H LEU A 54 10.993 -10.754 5.573 1.00 0.00 H new ATOM 0 HA LEU A 54 12.352 -13.298 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.677 -12.450 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.910 -10.927 6.554 1.00 0.00 H new ATOM 0 HG LEU A 54 12.243 -12.768 8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.842 -10.801 10.216 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.194 -11.331 9.187 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.236 -9.903 8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.510 -11.128 9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.811 -10.243 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.159 -11.898 7.916 1.00 0.00 H new ATOM 784 N ASP A 55 9.516 -13.229 6.681 1.00 0.00 N ATOM 785 CA ASP A 55 8.490 -13.986 7.389 1.00 0.00 C ATOM 786 C ASP A 55 8.730 -15.486 7.251 1.00 0.00 C ATOM 787 O ASP A 55 8.670 -16.037 6.153 1.00 0.00 O ATOM 788 CB ASP A 55 7.103 -13.628 6.854 1.00 0.00 C ATOM 789 CG ASP A 55 6.060 -13.555 7.953 1.00 0.00 C ATOM 790 OD1 ASP A 55 6.003 -14.490 8.779 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.303 -12.563 7.987 1.00 0.00 O ATOM 0 H ASP A 55 9.156 -12.472 6.100 1.00 0.00 H new ATOM 0 HA ASP A 55 8.543 -13.723 8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.152 -12.669 6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.798 -14.371 6.117 1.00 0.00 H new ATOM 796 N GLY A 56 9.004 -16.142 8.375 1.00 0.00 N ATOM 797 CA GLY A 56 9.250 -17.572 8.358 1.00 0.00 C ATOM 798 C GLY A 56 10.337 -17.985 9.330 1.00 0.00 C ATOM 799 O GLY A 56 10.505 -19.170 9.618 1.00 0.00 O ATOM 0 H GLY A 56 9.060 -15.708 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.328 -18.099 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.533 -17.877 7.350 1.00 0.00 H new ATOM 803 N SER A 57 11.080 -17.006 9.836 1.00 0.00 N ATOM 804 CA SER A 57 12.160 -17.274 10.778 1.00 0.00 C ATOM 805 C SER A 57 11.761 -16.866 12.193 1.00 0.00 C ATOM 806 O SER A 57 11.932 -17.629 13.143 1.00 0.00 O ATOM 807 CB SER A 57 13.428 -16.527 10.358 1.00 0.00 C ATOM 808 OG SER A 57 13.111 -15.323 9.683 1.00 0.00 O ATOM 0 H SER A 57 10.954 -16.020 9.609 1.00 0.00 H new ATOM 0 HA SER A 57 12.358 -18.346 10.770 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.032 -16.306 11.238 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.031 -17.163 9.710 1.00 0.00 H new ATOM 0 HG SER A 57 13.938 -14.864 9.427 1.00 0.00 H new ATOM 814 N GLY A 58 11.228 -15.655 12.325 1.00 0.00 N ATOM 815 CA GLY A 58 10.813 -15.165 13.627 1.00 0.00 C ATOM 816 C GLY A 58 11.913 -14.404 14.338 1.00 0.00 C ATOM 817 O GLY A 58 12.531 -14.918 15.272 1.00 0.00 O ATOM 0 H GLY A 58 11.076 -15.005 11.554 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.945 -14.516 13.508 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.499 -16.006 14.245 1.00 0.00 H new ATOM 821 N LEU A 59 12.162 -13.176 13.896 1.00 0.00 N ATOM 822 CA LEU A 59 13.198 -12.342 14.496 1.00 0.00 C ATOM 823 C LEU A 59 12.690 -10.922 14.724 1.00 0.00 C ATOM 824 O LEU A 59 11.567 -10.588 14.349 1.00 0.00 O ATOM 825 CB LEU A 59 14.439 -12.315 13.602 1.00 0.00 C ATOM 826 CG LEU A 59 15.448 -13.442 13.820 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.266 -14.531 12.774 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.870 -12.900 13.785 1.00 0.00 C ATOM 0 H LEU A 59 11.661 -12.736 13.124 1.00 0.00 H new ATOM 0 HA LEU A 59 13.463 -12.772 15.462 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.114 -12.342 12.562 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.949 -11.364 13.752 1.00 0.00 H new ATOM 0 HG LEU A 59 15.270 -13.877 14.803 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.993 -15.325 12.945 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.258 -14.940 12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.416 -14.110 11.780 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.575 -13.717 13.942 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.060 -12.438 12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 59 16.995 -12.156 14.572 1.00 0.00 H new ATOM 840 N GLN A 60 13.525 -10.092 15.339 1.00 0.00 N ATOM 841 CA GLN A 60 13.161 -8.708 15.616 1.00 0.00 C ATOM 842 C GLN A 60 14.080 -7.744 14.872 1.00 0.00 C ATOM 843 O GLN A 60 15.255 -8.035 14.653 1.00 0.00 O ATOM 844 CB GLN A 60 13.221 -8.432 17.119 1.00 0.00 C ATOM 845 CG GLN A 60 14.337 -9.181 17.830 1.00 0.00 C ATOM 846 CD GLN A 60 15.679 -8.489 17.701 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.783 -7.418 17.102 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.717 -9.098 18.263 1.00 0.00 N ATOM 0 H GLN A 60 14.459 -10.354 15.655 1.00 0.00 H new ATOM 0 HA GLN A 60 12.140 -8.551 15.267 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.353 -7.362 17.279 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.267 -8.706 17.569 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.085 -9.283 18.886 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.411 -10.189 17.421 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.586 -9.985 18.750 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.645 -8.679 18.208 1.00 0.00 H new ATOM 857 N VAL A 61 13.536 -6.594 14.486 1.00 0.00 N ATOM 858 CA VAL A 61 14.307 -5.586 13.768 1.00 0.00 C ATOM 859 C VAL A 61 14.202 -4.226 14.448 1.00 0.00 C ATOM 860 O VAL A 61 13.142 -3.850 14.949 1.00 0.00 O ATOM 861 CB VAL A 61 13.836 -5.455 12.307 1.00 0.00 C ATOM 862 CG1 VAL A 61 15.012 -5.144 11.394 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.125 -6.724 11.861 1.00 0.00 C ATOM 0 H VAL A 61 12.564 -6.337 14.659 1.00 0.00 H new ATOM 0 HA VAL A 61 15.346 -5.915 13.779 1.00 0.00 H new ATOM 0 HB VAL A 61 13.128 -4.628 12.244 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.661 -5.055 10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.474 -4.206 11.702 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.745 -5.948 11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.799 -6.614 10.827 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.808 -7.570 11.938 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.258 -6.898 12.498 1.00 0.00 H new ATOM 873 N LYS A 62 15.309 -3.491 14.463 1.00 0.00 N ATOM 874 CA LYS A 62 15.343 -2.170 15.080 1.00 0.00 C ATOM 875 C LYS A 62 16.337 -1.261 14.365 1.00 0.00 C ATOM 876 O LYS A 62 17.392 -1.696 13.904 1.00 0.00 O ATOM 877 CB LYS A 62 15.714 -2.286 16.560 1.00 0.00 C ATOM 878 CG LYS A 62 17.207 -2.427 16.803 1.00 0.00 C ATOM 879 CD LYS A 62 17.706 -3.811 16.423 1.00 0.00 C ATOM 880 CE LYS A 62 19.192 -3.966 16.709 1.00 0.00 C ATOM 881 NZ LYS A 62 19.471 -4.046 18.169 1.00 0.00 N ATOM 0 H LYS A 62 16.195 -3.788 14.055 1.00 0.00 H new ATOM 0 HA LYS A 62 14.349 -1.730 14.994 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.350 -1.404 17.087 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.202 -3.148 16.988 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.743 -1.675 16.225 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.425 -2.237 17.854 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.147 -4.565 16.977 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.518 -3.989 15.364 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.564 -4.865 16.218 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.734 -3.122 16.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.998 -3.201 18.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.573 -4.098 18.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.037 -4.895 18.368 1.00 0.00 H new ATOM 895 N PRO A 63 15.995 0.032 14.270 1.00 0.00 N ATOM 896 CA PRO A 63 16.845 1.030 13.614 1.00 0.00 C ATOM 897 C PRO A 63 18.114 1.322 14.407 1.00 0.00 C ATOM 898 O PRO A 63 18.188 1.043 15.605 1.00 0.00 O ATOM 899 CB PRO A 63 15.953 2.272 13.554 1.00 0.00 C ATOM 900 CG PRO A 63 14.989 2.101 14.677 1.00 0.00 C ATOM 901 CD PRO A 63 14.752 0.621 14.796 1.00 0.00 C ATOM 0 HA PRO A 63 17.192 0.691 12.638 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.537 3.185 13.669 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.437 2.343 12.597 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.393 2.507 15.604 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.058 2.631 14.476 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.573 0.325 15.830 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.883 0.306 14.219 1.00 0.00 H new ATOM 909 N LEU A 64 19.110 1.887 13.734 1.00 0.00 N ATOM 910 CA LEU A 64 20.377 2.218 14.377 1.00 0.00 C ATOM 911 C LEU A 64 20.733 3.685 14.155 1.00 0.00 C ATOM 912 O LEU A 64 20.810 4.466 15.102 1.00 0.00 O ATOM 913 CB LEU A 64 21.494 1.323 13.840 1.00 0.00 C ATOM 914 CG LEU A 64 21.084 -0.095 13.440 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.221 -0.794 12.711 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.664 -0.894 14.666 1.00 0.00 C ATOM 0 H LEU A 64 19.065 2.126 12.743 1.00 0.00 H new ATOM 0 HA LEU A 64 20.268 2.048 15.448 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.937 1.810 12.971 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.274 1.254 14.599 1.00 0.00 H new ATOM 0 HG LEU A 64 20.232 -0.029 12.763 1.00 0.00 H new ATOM 0 HD11 LEU A 64 21.911 -1.802 12.434 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.476 -0.233 11.812 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.092 -0.849 13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.375 -1.900 14.363 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.497 -0.951 15.366 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.818 -0.404 15.148 1.00 0.00 H new ATOM 928 N GLY A 65 20.949 4.052 12.895 1.00 0.00 N ATOM 929 CA GLY A 65 21.293 5.424 12.570 1.00 0.00 C ATOM 930 C GLY A 65 20.341 6.037 11.562 1.00 0.00 C ATOM 931 O GLY A 65 19.162 6.236 11.854 1.00 0.00 O ATOM 0 H GLY A 65 20.892 3.423 12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.287 6.022 13.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.308 5.457 12.173 1.00 0.00 H new ATOM 935 N ASN A 66 20.853 6.339 10.374 1.00 0.00 N ATOM 936 CA ASN A 66 20.041 6.935 9.320 1.00 0.00 C ATOM 937 C ASN A 66 19.158 5.885 8.653 1.00 0.00 C ATOM 938 O ASN A 66 19.573 5.224 7.703 1.00 0.00 O ATOM 939 CB ASN A 66 20.935 7.604 8.275 1.00 0.00 C ATOM 940 CG ASN A 66 20.421 8.971 7.863 1.00 0.00 C ATOM 941 OD1 ASN A 66 20.912 9.998 8.332 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.428 8.988 6.983 1.00 0.00 N ATOM 0 H ASN A 66 21.827 6.181 10.117 1.00 0.00 H new ATOM 0 HA ASN A 66 19.398 7.689 9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.944 7.704 8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 66 21.002 6.964 7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.040 9.878 6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 66 19.052 8.112 6.621 1.00 0.00 H new ATOM 949 N ASN A 67 17.937 5.738 9.159 1.00 0.00 N ATOM 950 CA ASN A 67 16.995 4.768 8.613 1.00 0.00 C ATOM 951 C ASN A 67 17.671 3.418 8.393 1.00 0.00 C ATOM 952 O ASN A 67 17.288 2.658 7.503 1.00 0.00 O ATOM 953 CB ASN A 67 16.412 5.280 7.294 1.00 0.00 C ATOM 954 CG ASN A 67 14.896 5.256 7.285 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.250 6.271 7.024 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.321 4.094 7.571 1.00 0.00 N ATOM 0 H ASN A 67 17.577 6.278 9.946 1.00 0.00 H new ATOM 0 HA ASN A 67 16.188 4.637 9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.758 6.299 7.118 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.787 4.670 6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.304 4.017 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.896 3.278 7.781 1.00 0.00 H new ATOM 963 N SER A 68 18.677 3.126 9.211 1.00 0.00 N ATOM 964 CA SER A 68 19.408 1.868 9.104 1.00 0.00 C ATOM 965 C SER A 68 18.854 0.834 10.079 1.00 0.00 C ATOM 966 O SER A 68 18.965 0.988 11.295 1.00 0.00 O ATOM 967 CB SER A 68 20.897 2.095 9.376 1.00 0.00 C ATOM 968 OG SER A 68 21.116 3.346 10.004 1.00 0.00 O ATOM 0 H SER A 68 19.005 3.743 9.955 1.00 0.00 H new ATOM 0 HA SER A 68 19.284 1.489 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.280 1.295 10.009 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.452 2.053 8.439 1.00 0.00 H new ATOM 0 HG SER A 68 22.075 3.466 10.168 1.00 0.00 H new ATOM 974 N TRP A 69 18.257 -0.221 9.535 1.00 0.00 N ATOM 975 CA TRP A 69 17.685 -1.282 10.356 1.00 0.00 C ATOM 976 C TRP A 69 18.542 -2.542 10.292 1.00 0.00 C ATOM 977 O TRP A 69 19.202 -2.806 9.286 1.00 0.00 O ATOM 978 CB TRP A 69 16.260 -1.597 9.899 1.00 0.00 C ATOM 979 CG TRP A 69 15.323 -0.435 10.036 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.468 0.805 9.482 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.097 -0.405 10.776 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.406 1.604 9.833 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.551 0.885 10.626 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.407 -1.343 11.549 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.350 1.258 11.222 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.215 -0.971 12.140 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.695 0.320 11.973 1.00 0.00 C ATOM 0 H TRP A 69 18.157 -0.364 8.530 1.00 0.00 H new ATOM 0 HA TRP A 69 17.660 -0.934 11.389 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.282 -1.916 8.857 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.876 -2.435 10.481 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.295 1.112 8.860 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.276 2.575 9.549 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.799 -2.341 11.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.949 2.253 11.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.674 -1.687 12.741 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.759 0.579 12.446 1.00 0.00 H new ATOM 998 N THR A 70 18.528 -3.318 11.371 1.00 0.00 N ATOM 999 CA THR A 70 19.304 -4.550 11.437 1.00 0.00 C ATOM 1000 C THR A 70 18.483 -5.686 12.036 1.00 0.00 C ATOM 1001 O THR A 70 17.593 -5.457 12.856 1.00 0.00 O ATOM 1002 CB THR A 70 20.585 -4.362 12.272 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.434 -5.506 12.131 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.248 -4.153 13.741 1.00 0.00 C ATOM 0 H THR A 70 17.987 -3.115 12.212 1.00 0.00 H new ATOM 0 HA THR A 70 19.580 -4.805 10.414 1.00 0.00 H new ATOM 0 HB THR A 70 21.104 -3.477 11.905 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.479 -5.766 11.187 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.168 -4.023 14.310 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.626 -3.265 13.849 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.708 -5.022 14.118 1.00 0.00 H new ATOM 1012 N LEU A 71 18.787 -6.911 11.622 1.00 0.00 N ATOM 1013 CA LEU A 71 18.077 -8.085 12.118 1.00 0.00 C ATOM 1014 C LEU A 71 18.899 -8.810 13.178 1.00 0.00 C ATOM 1015 O LEU A 71 20.123 -8.890 13.080 1.00 0.00 O ATOM 1016 CB LEU A 71 17.756 -9.037 10.965 1.00 0.00 C ATOM 1017 CG LEU A 71 16.291 -9.096 10.531 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.392 -9.380 11.725 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.883 -7.797 9.851 1.00 0.00 C ATOM 0 H LEU A 71 19.521 -7.117 10.944 1.00 0.00 H new ATOM 0 HA LEU A 71 17.145 -7.750 12.573 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.358 -8.748 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.070 -10.041 11.251 1.00 0.00 H new ATOM 0 HG LEU A 71 16.177 -9.909 9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.353 -9.418 11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.668 -10.336 12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.510 -8.589 12.465 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.837 -7.857 9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.013 -6.967 10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.506 -7.636 8.971 1.00 0.00 H new ATOM 1031 N GLU A 72 18.218 -9.340 14.189 1.00 0.00 N ATOM 1032 CA GLU A 72 18.886 -10.060 15.266 1.00 0.00 C ATOM 1033 C GLU A 72 17.904 -10.960 16.011 1.00 0.00 C ATOM 1034 O GLU A 72 16.691 -10.748 15.991 1.00 0.00 O ATOM 1035 CB GLU A 72 19.534 -9.077 16.243 1.00 0.00 C ATOM 1036 CG GLU A 72 18.880 -7.705 16.249 1.00 0.00 C ATOM 1037 CD GLU A 72 19.142 -6.940 17.532 1.00 0.00 C ATOM 1038 OE1 GLU A 72 20.325 -6.692 17.844 1.00 0.00 O ATOM 1039 OE2 GLU A 72 18.162 -6.589 18.223 1.00 0.00 O ATOM 0 H GLU A 72 17.204 -9.284 14.284 1.00 0.00 H new ATOM 0 HA GLU A 72 19.661 -10.685 14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.491 -9.495 17.249 1.00 0.00 H new ATOM 0 HB3 GLU A 72 20.588 -8.967 15.989 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.251 -7.126 15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 72 17.805 -7.818 16.111 1.00 0.00 H new