USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=11 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= 0.396 K(o=0.61,f=-0.23) USER MOD Set 1.2: A 4 ASN : amide:sc= 0.218 K(o=0.61,f=-2.2) USER MOD Single : A 9 SER OG : rot -150:sc= -0.872 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.956 K(o=0.96,f=-0.031) USER MOD Single : A 16 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.6!) USER MOD Single : A 17 TYR OH : rot -70:sc= -3.56! USER MOD Single : A 20 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.45) USER MOD Single : A 21 SER OG : rot 120:sc= -1.4 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 36:sc= 0.758 USER MOD Single : A 38 ASN : amide:sc= 0.698 K(o=0.7,f=-0.027) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) 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= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.39) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0065 USER MOD Single : A 60 GLN : amide:sc= -4.79 K(o=-4.8,f=-12!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.687 K(o=-0.69,f=0.063) USER MOD Single : A 68 SER OG : rot 180:sc= 0.856 USER MOD Single : A 70 THR OG1 : rot 49:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.416 -1.793 -2.656 1.00 0.00 N ATOM 12 CA GLN A 2 1.504 -3.116 -3.260 1.00 0.00 C ATOM 13 C GLN A 2 2.931 -3.418 -3.705 1.00 0.00 C ATOM 14 O GLN A 2 3.504 -2.696 -4.522 1.00 0.00 O ATOM 15 CB GLN A 2 0.553 -3.220 -4.454 1.00 0.00 C ATOM 16 CG GLN A 2 0.201 -4.650 -4.830 1.00 0.00 C ATOM 17 CD GLN A 2 1.092 -5.201 -5.926 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.324 -4.545 -6.941 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.596 -6.413 -5.726 1.00 0.00 N ATOM 0 HA GLN A 2 1.214 -3.850 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.364 -2.677 -4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.008 -2.729 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.283 -5.284 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.838 -4.691 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.377 -6.921 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.202 -6.836 -6.429 1.00 0.00 H new ATOM 28 N VAL A 3 3.502 -4.489 -3.161 1.00 0.00 N ATOM 29 CA VAL A 3 4.862 -4.886 -3.502 1.00 0.00 C ATOM 30 C VAL A 3 4.929 -6.366 -3.862 1.00 0.00 C ATOM 31 O VAL A 3 4.601 -7.228 -3.048 1.00 0.00 O ATOM 32 CB VAL A 3 5.836 -4.607 -2.342 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.240 -5.073 -2.699 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.831 -3.127 -1.988 1.00 0.00 C ATOM 0 H VAL A 3 3.043 -5.097 -2.482 1.00 0.00 H new ATOM 0 HA VAL A 3 5.158 -4.291 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 3 5.504 -5.168 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.914 -4.868 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.228 -6.144 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.585 -4.541 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.525 -2.947 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.138 -2.544 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.827 -2.828 -1.687 1.00 0.00 H new ATOM 44 N ASN A 4 5.355 -6.653 -5.087 1.00 0.00 N ATOM 45 CA ASN A 4 5.465 -8.030 -5.556 1.00 0.00 C ATOM 46 C ASN A 4 6.910 -8.373 -5.904 1.00 0.00 C ATOM 47 O ASN A 4 7.478 -7.824 -6.849 1.00 0.00 O ATOM 48 CB ASN A 4 4.569 -8.249 -6.776 1.00 0.00 C ATOM 49 CG ASN A 4 4.506 -7.027 -7.673 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.776 -6.076 -7.395 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.273 -7.049 -8.757 1.00 0.00 N ATOM 0 H ASN A 4 5.630 -5.951 -5.774 1.00 0.00 H new ATOM 0 HA ASN A 4 5.138 -8.688 -4.751 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.941 -9.098 -7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.563 -8.505 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.272 -6.256 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.863 -7.859 -8.948 1.00 0.00 H new ATOM 58 N ILE A 5 7.499 -9.283 -5.135 1.00 0.00 N ATOM 59 CA ILE A 5 8.877 -9.699 -5.364 1.00 0.00 C ATOM 60 C ILE A 5 8.973 -11.212 -5.530 1.00 0.00 C ATOM 61 O ILE A 5 8.369 -11.970 -4.771 1.00 0.00 O ATOM 62 CB ILE A 5 9.796 -9.262 -4.209 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.698 -7.750 -3.994 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.234 -9.669 -4.493 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.181 -7.300 -2.634 1.00 0.00 C ATOM 0 H ILE A 5 7.044 -9.746 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 5 9.205 -9.213 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 5 9.470 -9.762 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.281 -7.243 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.661 -7.439 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.871 -9.353 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.291 -10.752 -4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.571 -9.194 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.082 -6.218 -2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.582 -7.778 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.227 -7.579 -2.509 1.00 0.00 H new ATOM 77 N ALA A 6 9.738 -11.645 -6.527 1.00 0.00 N ATOM 78 CA ALA A 6 9.917 -13.067 -6.791 1.00 0.00 C ATOM 79 C ALA A 6 11.065 -13.638 -5.965 1.00 0.00 C ATOM 80 O ALA A 6 12.169 -13.094 -5.933 1.00 0.00 O ATOM 81 CB ALA A 6 10.163 -13.302 -8.274 1.00 0.00 C ATOM 0 H ALA A 6 10.244 -11.031 -7.165 1.00 0.00 H new ATOM 0 HA ALA A 6 9.002 -13.583 -6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.295 -14.368 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.309 -12.939 -8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.061 -12.767 -8.583 1.00 0.00 H new ATOM 87 N PRO A 7 10.801 -14.761 -5.281 1.00 0.00 N ATOM 88 CA PRO A 7 11.800 -15.430 -4.442 1.00 0.00 C ATOM 89 C PRO A 7 12.909 -16.076 -5.265 1.00 0.00 C ATOM 90 O PRO A 7 13.067 -15.783 -6.450 1.00 0.00 O ATOM 91 CB PRO A 7 10.988 -16.499 -3.707 1.00 0.00 C ATOM 92 CG PRO A 7 9.825 -16.770 -4.598 1.00 0.00 C ATOM 93 CD PRO A 7 9.507 -15.464 -5.273 1.00 0.00 C ATOM 0 HA PRO A 7 12.309 -14.731 -3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.578 -17.400 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.663 -16.146 -2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.066 -17.540 -5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.971 -17.132 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.126 -15.616 -6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.748 -14.903 -4.727 1.00 0.00 H new ATOM 101 N GLY A 8 13.676 -16.957 -4.629 1.00 0.00 N ATOM 102 CA GLY A 8 14.760 -17.631 -5.319 1.00 0.00 C ATOM 103 C GLY A 8 16.116 -17.043 -4.982 1.00 0.00 C ATOM 104 O GLY A 8 17.135 -17.458 -5.534 1.00 0.00 O ATOM 0 H GLY A 8 13.566 -17.216 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.751 -18.689 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.597 -17.567 -6.395 1.00 0.00 H new ATOM 108 N SER A 9 16.129 -16.072 -4.074 1.00 0.00 N ATOM 109 CA SER A 9 17.370 -15.421 -3.668 1.00 0.00 C ATOM 110 C SER A 9 17.100 -14.336 -2.631 1.00 0.00 C ATOM 111 O SER A 9 16.598 -13.260 -2.957 1.00 0.00 O ATOM 112 CB SER A 9 18.074 -14.816 -4.884 1.00 0.00 C ATOM 113 OG SER A 9 17.150 -14.530 -5.919 1.00 0.00 O ATOM 0 H SER A 9 15.295 -15.719 -3.606 1.00 0.00 H new ATOM 0 HA SER A 9 18.017 -16.175 -3.220 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.591 -13.902 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.832 -15.508 -5.250 1.00 0.00 H new ATOM 0 HG SER A 9 17.597 -14.609 -6.788 1.00 0.00 H new ATOM 119 N LEU A 10 17.436 -14.627 -1.379 1.00 0.00 N ATOM 120 CA LEU A 10 17.230 -13.677 -0.291 1.00 0.00 C ATOM 121 C LEU A 10 17.847 -12.323 -0.627 1.00 0.00 C ATOM 122 O LEU A 10 17.244 -11.278 -0.384 1.00 0.00 O ATOM 123 CB LEU A 10 17.835 -14.218 1.006 1.00 0.00 C ATOM 124 CG LEU A 10 17.694 -13.322 2.237 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.341 -14.151 3.462 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.975 -12.535 2.473 1.00 0.00 C ATOM 0 H LEU A 10 17.852 -15.513 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 10 16.157 -13.543 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.371 -15.180 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.895 -14.406 0.838 1.00 0.00 H new ATOM 0 HG LEU A 10 16.885 -12.614 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.245 -13.497 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.397 -14.669 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.128 -14.883 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.857 -11.903 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.803 -13.226 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.184 -11.912 1.604 1.00 0.00 H new ATOM 138 N ASP A 11 19.051 -12.350 -1.188 1.00 0.00 N ATOM 139 CA ASP A 11 19.749 -11.125 -1.561 1.00 0.00 C ATOM 140 C ASP A 11 18.930 -10.317 -2.563 1.00 0.00 C ATOM 141 O ASP A 11 18.819 -9.096 -2.450 1.00 0.00 O ATOM 142 CB ASP A 11 21.121 -11.453 -2.151 1.00 0.00 C ATOM 143 CG ASP A 11 22.010 -12.196 -1.172 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.707 -12.172 0.039 1.00 0.00 O ATOM 145 OD2 ASP A 11 23.009 -12.799 -1.617 1.00 0.00 O ATOM 0 H ASP A 11 19.564 -13.207 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 11 19.884 -10.525 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.992 -12.056 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.613 -10.529 -2.455 1.00 0.00 H new ATOM 150 N LYS A 12 18.359 -11.006 -3.544 1.00 0.00 N ATOM 151 CA LYS A 12 17.550 -10.355 -4.568 1.00 0.00 C ATOM 152 C LYS A 12 16.358 -9.637 -3.943 1.00 0.00 C ATOM 153 O LYS A 12 16.174 -8.435 -4.136 1.00 0.00 O ATOM 154 CB LYS A 12 17.061 -11.382 -5.591 1.00 0.00 C ATOM 155 CG LYS A 12 17.874 -11.397 -6.874 1.00 0.00 C ATOM 156 CD LYS A 12 17.172 -10.638 -7.988 1.00 0.00 C ATOM 157 CE LYS A 12 15.935 -11.378 -8.472 1.00 0.00 C ATOM 158 NZ LYS A 12 15.585 -11.016 -9.874 1.00 0.00 N ATOM 0 H LYS A 12 18.441 -12.017 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 12 18.173 -9.617 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.091 -12.374 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.019 -11.173 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.853 -10.953 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.044 -12.427 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.889 -9.647 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.860 -10.493 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.106 -12.453 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.095 -11.148 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.737 -11.541 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.397 -9.995 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.377 -11.259 -10.503 1.00 0.00 H new ATOM 172 N ALA A 13 15.552 -10.380 -3.192 1.00 0.00 N ATOM 173 CA ALA A 13 14.380 -9.813 -2.536 1.00 0.00 C ATOM 174 C ALA A 13 14.769 -8.662 -1.615 1.00 0.00 C ATOM 175 O ALA A 13 14.067 -7.653 -1.535 1.00 0.00 O ATOM 176 CB ALA A 13 13.640 -10.889 -1.755 1.00 0.00 C ATOM 0 H ALA A 13 15.689 -11.376 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 13 13.718 -9.419 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.767 -10.451 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.320 -11.678 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.302 -11.310 -0.998 1.00 0.00 H new ATOM 182 N LEU A 14 15.891 -8.819 -0.922 1.00 0.00 N ATOM 183 CA LEU A 14 16.374 -7.792 -0.005 1.00 0.00 C ATOM 184 C LEU A 14 16.483 -6.442 -0.708 1.00 0.00 C ATOM 185 O LEU A 14 15.988 -5.432 -0.211 1.00 0.00 O ATOM 186 CB LEU A 14 17.735 -8.192 0.569 1.00 0.00 C ATOM 187 CG LEU A 14 18.644 -7.042 1.004 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.982 -6.224 2.101 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.991 -7.574 1.471 1.00 0.00 C ATOM 0 H LEU A 14 16.484 -9.647 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 14 15.656 -7.700 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.568 -8.841 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.263 -8.783 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 14 18.811 -6.392 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.644 -5.410 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.043 -5.812 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.784 -6.863 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.625 -6.742 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.843 -8.247 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.471 -8.115 0.656 1.00 0.00 H new ATOM 201 N ASN A 15 17.132 -6.435 -1.868 1.00 0.00 N ATOM 202 CA ASN A 15 17.303 -5.210 -2.640 1.00 0.00 C ATOM 203 C ASN A 15 15.981 -4.767 -3.258 1.00 0.00 C ATOM 204 O ASN A 15 15.725 -3.573 -3.409 1.00 0.00 O ATOM 205 CB ASN A 15 18.348 -5.417 -3.738 1.00 0.00 C ATOM 206 CG ASN A 15 19.756 -5.523 -3.185 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.557 -4.598 -3.314 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.063 -6.656 -2.563 1.00 0.00 N ATOM 0 H ASN A 15 17.548 -7.263 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 15 17.647 -4.428 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.111 -6.323 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.299 -4.587 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.995 -6.785 -2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.367 -7.397 -2.479 1.00 0.00 H new ATOM 215 N GLN A 16 15.145 -5.738 -3.613 1.00 0.00 N ATOM 216 CA GLN A 16 13.849 -5.447 -4.214 1.00 0.00 C ATOM 217 C GLN A 16 12.987 -4.611 -3.273 1.00 0.00 C ATOM 218 O GLN A 16 12.519 -3.532 -3.638 1.00 0.00 O ATOM 219 CB GLN A 16 13.125 -6.747 -4.569 1.00 0.00 C ATOM 220 CG GLN A 16 13.835 -7.568 -5.633 1.00 0.00 C ATOM 221 CD GLN A 16 13.169 -7.464 -6.991 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.365 -6.564 -7.234 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.502 -8.387 -7.886 1.00 0.00 N ATOM 0 H GLN A 16 15.342 -6.732 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 16 14.020 -4.874 -5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.017 -7.351 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.119 -6.510 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.870 -7.235 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.860 -8.613 -5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.173 -9.115 -7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.087 -8.367 -8.817 1.00 0.00 H new ATOM 232 N TYR A 17 12.781 -5.117 -2.062 1.00 0.00 N ATOM 233 CA TYR A 17 11.973 -4.419 -1.070 1.00 0.00 C ATOM 234 C TYR A 17 12.701 -3.184 -0.546 1.00 0.00 C ATOM 235 O TYR A 17 12.084 -2.153 -0.280 1.00 0.00 O ATOM 236 CB TYR A 17 11.632 -5.355 0.091 1.00 0.00 C ATOM 237 CG TYR A 17 12.587 -5.246 1.257 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.369 -4.328 2.277 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.708 -6.063 1.340 1.00 0.00 C ATOM 240 CE1 TYR A 17 13.240 -4.225 3.344 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.584 -5.968 2.405 1.00 0.00 C ATOM 242 CZ TYR A 17 14.346 -5.047 3.403 1.00 0.00 C ATOM 243 OH TYR A 17 15.215 -4.948 4.466 1.00 0.00 O ATOM 0 H TYR A 17 13.163 -6.008 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 17 11.050 -4.097 -1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.622 -5.137 0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.630 -6.383 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.503 -3.684 2.235 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.898 -6.784 0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.056 -3.505 4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.450 -6.612 2.455 1.00 0.00 H new ATOM 0 HH TYR A 17 15.708 -4.103 4.408 1.00 0.00 H new ATOM 253 N ALA A 18 14.017 -3.299 -0.400 1.00 0.00 N ATOM 254 CA ALA A 18 14.830 -2.193 0.090 1.00 0.00 C ATOM 255 C ALA A 18 14.684 -0.967 -0.804 1.00 0.00 C ATOM 256 O ALA A 18 14.581 0.159 -0.318 1.00 0.00 O ATOM 257 CB ALA A 18 16.290 -2.612 0.181 1.00 0.00 C ATOM 0 H ALA A 18 14.542 -4.147 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 18 14.477 -1.928 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.886 -1.777 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.385 -3.454 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.646 -2.906 -0.806 1.00 0.00 H new ATOM 263 N ALA A 19 14.678 -1.192 -2.114 1.00 0.00 N ATOM 264 CA ALA A 19 14.544 -0.105 -3.076 1.00 0.00 C ATOM 265 C ALA A 19 13.098 0.368 -3.171 1.00 0.00 C ATOM 266 O ALA A 19 12.830 1.506 -3.557 1.00 0.00 O ATOM 267 CB ALA A 19 15.049 -0.544 -4.442 1.00 0.00 C ATOM 0 H ALA A 19 14.764 -2.118 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 19 15.150 0.732 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.943 0.278 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.099 -0.826 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.467 -1.398 -4.788 1.00 0.00 H new ATOM 273 N HIS A 20 12.167 -0.513 -2.818 1.00 0.00 N ATOM 274 CA HIS A 20 10.747 -0.185 -2.864 1.00 0.00 C ATOM 275 C HIS A 20 10.364 0.734 -1.707 1.00 0.00 C ATOM 276 O HIS A 20 9.409 1.505 -1.804 1.00 0.00 O ATOM 277 CB HIS A 20 9.905 -1.460 -2.817 1.00 0.00 C ATOM 278 CG HIS A 20 9.709 -2.098 -4.158 1.00 0.00 C ATOM 279 ND1 HIS A 20 9.417 -1.379 -5.298 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.766 -3.396 -4.538 1.00 0.00 C ATOM 281 CE1 HIS A 20 9.302 -2.207 -6.321 1.00 0.00 C ATOM 282 NE2 HIS A 20 9.510 -3.437 -5.886 1.00 0.00 N ATOM 0 H HIS A 20 12.371 -1.459 -2.497 1.00 0.00 H new ATOM 0 HA HIS A 20 10.550 0.337 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.383 -2.177 -2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 20 8.930 -1.226 -2.389 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.974 -4.242 -3.900 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.076 -1.926 -7.339 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.484 -4.280 -6.459 1.00 0.00 H new ATOM 290 N SER A 21 11.115 0.646 -0.614 1.00 0.00 N ATOM 291 CA SER A 21 10.851 1.466 0.562 1.00 0.00 C ATOM 292 C SER A 21 11.642 2.770 0.505 1.00 0.00 C ATOM 293 O SER A 21 11.069 3.858 0.535 1.00 0.00 O ATOM 294 CB SER A 21 11.206 0.697 1.836 1.00 0.00 C ATOM 295 OG SER A 21 10.291 -0.360 2.066 1.00 0.00 O ATOM 0 H SER A 21 11.911 0.015 -0.519 1.00 0.00 H new ATOM 0 HA SER A 21 9.788 1.707 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.216 0.296 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.202 1.377 2.688 1.00 0.00 H new ATOM 0 HG SER A 21 10.772 -1.214 2.074 1.00 0.00 H new ATOM 301 N GLY A 22 12.963 2.650 0.421 1.00 0.00 N ATOM 302 CA GLY A 22 13.813 3.825 0.361 1.00 0.00 C ATOM 303 C GLY A 22 14.631 4.014 1.622 1.00 0.00 C ATOM 304 O GLY A 22 15.059 5.126 1.932 1.00 0.00 O ATOM 0 H GLY A 22 13.460 1.760 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.484 3.741 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.196 4.708 0.196 1.00 0.00 H new ATOM 308 N PHE A 23 14.849 2.926 2.353 1.00 0.00 N ATOM 309 CA PHE A 23 15.620 2.978 3.590 1.00 0.00 C ATOM 310 C PHE A 23 16.831 2.052 3.515 1.00 0.00 C ATOM 311 O PHE A 23 16.963 1.256 2.585 1.00 0.00 O ATOM 312 CB PHE A 23 14.741 2.590 4.780 1.00 0.00 C ATOM 313 CG PHE A 23 14.614 1.106 4.975 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.952 0.326 4.040 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.157 0.492 6.091 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.833 -1.039 4.217 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.041 -0.874 6.273 1.00 0.00 C ATOM 318 CZ PHE A 23 14.380 -1.640 5.334 1.00 0.00 C ATOM 0 H PHE A 23 14.503 1.998 2.110 1.00 0.00 H new ATOM 0 HA PHE A 23 15.974 4.000 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.154 3.033 5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.747 3.016 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.525 0.790 3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.677 1.087 6.828 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.313 -1.636 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.467 -1.341 7.149 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.291 -2.707 5.472 1.00 0.00 H new ATOM 328 N THR A 24 17.715 2.162 4.503 1.00 0.00 N ATOM 329 CA THR A 24 18.915 1.337 4.549 1.00 0.00 C ATOM 330 C THR A 24 18.782 0.230 5.588 1.00 0.00 C ATOM 331 O THR A 24 18.132 0.407 6.619 1.00 0.00 O ATOM 332 CB THR A 24 20.164 2.180 4.872 1.00 0.00 C ATOM 333 OG1 THR A 24 20.175 3.366 4.068 1.00 0.00 O ATOM 334 CG2 THR A 24 21.435 1.382 4.625 1.00 0.00 C ATOM 0 H THR A 24 17.622 2.815 5.281 1.00 0.00 H new ATOM 0 HA THR A 24 19.030 0.892 3.561 1.00 0.00 H new ATOM 0 HB THR A 24 20.127 2.456 5.926 1.00 0.00 H new ATOM 0 HG1 THR A 24 20.971 3.898 4.280 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.303 1.998 4.860 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.437 0.495 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.477 1.080 3.579 1.00 0.00 H new ATOM 342 N LEU A 25 19.400 -0.913 5.310 1.00 0.00 N ATOM 343 CA LEU A 25 19.351 -2.050 6.222 1.00 0.00 C ATOM 344 C LEU A 25 20.716 -2.724 6.326 1.00 0.00 C ATOM 345 O LEU A 25 21.381 -2.961 5.318 1.00 0.00 O ATOM 346 CB LEU A 25 18.305 -3.062 5.751 1.00 0.00 C ATOM 347 CG LEU A 25 18.111 -4.290 6.640 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.932 -4.089 7.580 1.00 0.00 C ATOM 349 CD2 LEU A 25 17.911 -5.537 5.791 1.00 0.00 C ATOM 0 H LEU A 25 19.941 -1.077 4.461 1.00 0.00 H new ATOM 0 HA LEU A 25 19.072 -1.681 7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.348 -2.549 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.581 -3.401 4.752 1.00 0.00 H new ATOM 0 HG LEU A 25 19.010 -4.424 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.810 -4.974 8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.115 -3.221 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.025 -3.928 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.774 -6.401 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.029 -5.412 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.786 -5.692 5.160 1.00 0.00 H new ATOM 361 N SER A 26 21.126 -3.032 7.552 1.00 0.00 N ATOM 362 CA SER A 26 22.412 -3.678 7.789 1.00 0.00 C ATOM 363 C SER A 26 22.228 -5.003 8.522 1.00 0.00 C ATOM 364 O SER A 26 21.997 -5.030 9.731 1.00 0.00 O ATOM 365 CB SER A 26 23.328 -2.757 8.597 1.00 0.00 C ATOM 366 OG SER A 26 24.442 -2.342 7.827 1.00 0.00 O ATOM 0 H SER A 26 20.586 -2.845 8.397 1.00 0.00 H new ATOM 0 HA SER A 26 22.873 -3.879 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.768 -1.884 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.673 -3.276 9.491 1.00 0.00 H new ATOM 0 HG SER A 26 25.011 -1.753 8.366 1.00 0.00 H new ATOM 372 N VAL A 27 22.331 -6.102 7.781 1.00 0.00 N ATOM 373 CA VAL A 27 22.177 -7.431 8.360 1.00 0.00 C ATOM 374 C VAL A 27 23.301 -8.359 7.912 1.00 0.00 C ATOM 375 O VAL A 27 23.693 -8.358 6.745 1.00 0.00 O ATOM 376 CB VAL A 27 20.825 -8.058 7.974 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.598 -7.957 6.473 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.758 -9.507 8.435 1.00 0.00 C ATOM 0 H VAL A 27 22.520 -6.098 6.779 1.00 0.00 H new ATOM 0 HA VAL A 27 22.218 -7.311 9.443 1.00 0.00 H new ATOM 0 HB VAL A 27 20.032 -7.504 8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.637 -8.405 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.599 -6.909 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.395 -8.484 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.795 -9.934 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.559 -10.076 7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.871 -9.550 9.518 1.00 0.00 H new ATOM 388 N ASP A 28 23.816 -9.150 8.847 1.00 0.00 N ATOM 389 CA ASP A 28 24.895 -10.085 8.549 1.00 0.00 C ATOM 390 C ASP A 28 24.386 -11.250 7.705 1.00 0.00 C ATOM 391 O ASP A 28 23.870 -12.233 8.235 1.00 0.00 O ATOM 392 CB ASP A 28 25.516 -10.610 9.844 1.00 0.00 C ATOM 393 CG ASP A 28 26.020 -9.494 10.738 1.00 0.00 C ATOM 394 OD1 ASP A 28 26.649 -8.552 10.213 1.00 0.00 O ATOM 395 OD2 ASP A 28 25.785 -9.562 11.963 1.00 0.00 O ATOM 0 H ASP A 28 23.504 -9.162 9.818 1.00 0.00 H new ATOM 0 HA ASP A 28 25.657 -9.553 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.776 -11.199 10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.342 -11.279 9.602 1.00 0.00 H new ATOM 524 N SER A 37 14.660 -16.224 0.266 1.00 0.00 N ATOM 525 CA SER A 37 13.667 -15.532 1.079 1.00 0.00 C ATOM 526 C SER A 37 12.293 -15.581 0.418 1.00 0.00 C ATOM 527 O SER A 37 12.184 -15.668 -0.804 1.00 0.00 O ATOM 528 CB SER A 37 14.085 -14.077 1.304 1.00 0.00 C ATOM 529 OG SER A 37 13.091 -13.366 2.021 1.00 0.00 O ATOM 0 HA SER A 37 13.606 -16.039 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.026 -14.046 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.261 -13.593 0.343 1.00 0.00 H new ATOM 0 HG SER A 37 12.681 -13.958 2.686 1.00 0.00 H new ATOM 535 N ASN A 38 11.247 -15.526 1.236 1.00 0.00 N ATOM 536 CA ASN A 38 9.879 -15.565 0.732 1.00 0.00 C ATOM 537 C ASN A 38 9.497 -14.232 0.094 1.00 0.00 C ATOM 538 O ASN A 38 9.390 -13.214 0.776 1.00 0.00 O ATOM 539 CB ASN A 38 8.906 -15.899 1.864 1.00 0.00 C ATOM 540 CG ASN A 38 7.465 -15.607 1.492 1.00 0.00 C ATOM 541 OD1 ASN A 38 6.996 -15.998 0.423 1.00 0.00 O ATOM 542 ND2 ASN A 38 6.755 -14.916 2.376 1.00 0.00 N ATOM 0 H ASN A 38 11.321 -15.454 2.251 1.00 0.00 H new ATOM 0 HA ASN A 38 9.820 -16.343 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.005 -16.953 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.173 -15.324 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.780 -14.689 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.185 -14.612 3.250 1.00 0.00 H new ATOM 549 N GLY A 39 9.291 -14.249 -1.219 1.00 0.00 N ATOM 550 CA GLY A 39 8.922 -13.037 -1.927 1.00 0.00 C ATOM 551 C GLY A 39 7.705 -12.362 -1.326 1.00 0.00 C ATOM 552 O GLY A 39 6.948 -12.982 -0.578 1.00 0.00 O ATOM 0 H GLY A 39 9.373 -15.080 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.762 -12.343 -1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.722 -13.277 -2.971 1.00 0.00 H new ATOM 556 N LEU A 40 7.516 -11.088 -1.651 1.00 0.00 N ATOM 557 CA LEU A 40 6.383 -10.327 -1.137 1.00 0.00 C ATOM 558 C LEU A 40 5.247 -10.286 -2.154 1.00 0.00 C ATOM 559 O LEU A 40 5.470 -10.435 -3.356 1.00 0.00 O ATOM 560 CB LEU A 40 6.818 -8.903 -0.784 1.00 0.00 C ATOM 561 CG LEU A 40 5.873 -8.119 0.127 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.580 -8.904 1.396 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.464 -6.758 0.464 1.00 0.00 C ATOM 0 H LEU A 40 8.133 -10.560 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 40 6.022 -10.824 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.796 -8.952 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.945 -8.343 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 40 4.934 -7.964 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.906 -8.330 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.113 -9.854 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.511 -9.092 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.778 -6.214 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.418 -6.892 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.621 -6.192 -0.454 1.00 0.00 H new ATOM 575 N HIS A 41 4.028 -10.083 -1.664 1.00 0.00 N ATOM 576 CA HIS A 41 2.856 -10.020 -2.531 1.00 0.00 C ATOM 577 C HIS A 41 1.689 -9.343 -1.818 1.00 0.00 C ATOM 578 O HIS A 41 1.013 -9.956 -0.993 1.00 0.00 O ATOM 579 CB HIS A 41 2.451 -11.425 -2.978 1.00 0.00 C ATOM 580 CG HIS A 41 2.229 -11.542 -4.455 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.975 -11.628 -5.023 1.00 0.00 N ATOM 582 CD2 HIS A 41 3.110 -11.587 -5.481 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.095 -11.721 -6.335 1.00 0.00 C ATOM 584 NE2 HIS A 41 2.380 -11.699 -6.639 1.00 0.00 N ATOM 0 H HIS A 41 3.826 -9.959 -0.672 1.00 0.00 H new ATOM 0 HA HIS A 41 3.115 -9.428 -3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.226 -12.130 -2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.538 -11.714 -2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.186 -11.543 -5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.281 -11.801 -7.040 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.767 -11.756 -7.581 1.00 0.00 H new ATOM 592 N GLY A 42 1.459 -8.074 -2.143 1.00 0.00 N ATOM 593 CA GLY A 42 0.374 -7.336 -1.524 1.00 0.00 C ATOM 594 C GLY A 42 0.813 -5.975 -1.019 1.00 0.00 C ATOM 595 O GLY A 42 1.979 -5.603 -1.152 1.00 0.00 O ATOM 0 H GLY A 42 2.004 -7.545 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.433 -7.209 -2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.029 -7.916 -0.693 1.00 0.00 H new ATOM 599 N ASP A 43 -0.122 -5.231 -0.440 1.00 0.00 N ATOM 600 CA ASP A 43 0.174 -3.903 0.086 1.00 0.00 C ATOM 601 C ASP A 43 0.818 -3.997 1.465 1.00 0.00 C ATOM 602 O ASP A 43 0.135 -4.205 2.468 1.00 0.00 O ATOM 603 CB ASP A 43 -1.104 -3.065 0.162 1.00 0.00 C ATOM 604 CG ASP A 43 -2.196 -3.746 0.962 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.701 -4.793 0.506 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.547 -3.232 2.045 1.00 0.00 O ATOM 0 H ASP A 43 -1.092 -5.524 -0.323 1.00 0.00 H new ATOM 0 HA ASP A 43 0.877 -3.418 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.876 -2.099 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.466 -2.868 -0.847 1.00 0.00 H new ATOM 611 N TYR A 44 2.137 -3.842 1.508 1.00 0.00 N ATOM 612 CA TYR A 44 2.874 -3.912 2.764 1.00 0.00 C ATOM 613 C TYR A 44 3.910 -2.795 2.851 1.00 0.00 C ATOM 614 O TYR A 44 4.737 -2.629 1.954 1.00 0.00 O ATOM 615 CB TYR A 44 3.562 -5.272 2.900 1.00 0.00 C ATOM 616 CG TYR A 44 2.599 -6.438 2.924 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.761 -6.650 4.012 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.526 -7.326 1.858 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.881 -7.715 4.038 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.648 -8.392 1.875 1.00 0.00 C ATOM 621 CZ TYR A 44 0.828 -8.582 2.967 1.00 0.00 C ATOM 622 OH TYR A 44 -0.049 -9.643 2.989 1.00 0.00 O ATOM 0 H TYR A 44 2.717 -3.667 0.688 1.00 0.00 H new ATOM 0 HA TYR A 44 2.163 -3.788 3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.257 -5.403 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.153 -5.281 3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.798 -5.971 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.167 -7.180 1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.238 -7.868 4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.604 -9.073 1.038 1.00 0.00 H new ATOM 0 HH TYR A 44 0.038 -10.156 2.159 1.00 0.00 H new ATOM 632 N ASP A 45 3.859 -2.033 3.937 1.00 0.00 N ATOM 633 CA ASP A 45 4.792 -0.933 4.144 1.00 0.00 C ATOM 634 C ASP A 45 6.229 -1.442 4.200 1.00 0.00 C ATOM 635 O ASP A 45 6.487 -2.628 3.997 1.00 0.00 O ATOM 636 CB ASP A 45 4.453 -0.184 5.434 1.00 0.00 C ATOM 637 CG ASP A 45 3.074 0.445 5.393 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.793 1.198 4.437 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.276 0.182 6.316 1.00 0.00 O ATOM 0 H ASP A 45 3.181 -2.157 4.688 1.00 0.00 H new ATOM 0 HA ASP A 45 4.700 -0.249 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.510 -0.873 6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.198 0.592 5.606 1.00 0.00 H new ATOM 644 N VAL A 46 7.162 -0.536 4.476 1.00 0.00 N ATOM 645 CA VAL A 46 8.574 -0.894 4.558 1.00 0.00 C ATOM 646 C VAL A 46 8.811 -1.953 5.628 1.00 0.00 C ATOM 647 O VAL A 46 9.517 -2.934 5.397 1.00 0.00 O ATOM 648 CB VAL A 46 9.447 0.337 4.867 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.938 1.055 6.108 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.902 -0.072 5.037 1.00 0.00 C ATOM 0 H VAL A 46 6.966 0.450 4.646 1.00 0.00 H new ATOM 0 HA VAL A 46 8.856 -1.296 3.585 1.00 0.00 H new ATOM 0 HB VAL A 46 9.383 1.027 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.567 1.922 6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.911 1.382 5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.970 0.376 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.505 0.810 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.987 -0.782 5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.259 -0.538 4.118 1.00 0.00 H new ATOM 660 N GLU A 47 8.215 -1.749 6.798 1.00 0.00 N ATOM 661 CA GLU A 47 8.362 -2.687 7.904 1.00 0.00 C ATOM 662 C GLU A 47 7.543 -3.951 7.658 1.00 0.00 C ATOM 663 O GLU A 47 8.061 -5.065 7.738 1.00 0.00 O ATOM 664 CB GLU A 47 7.930 -2.034 9.219 1.00 0.00 C ATOM 665 CG GLU A 47 8.869 -0.937 9.691 1.00 0.00 C ATOM 666 CD GLU A 47 8.428 -0.315 11.002 1.00 0.00 C ATOM 667 OE1 GLU A 47 8.559 -0.983 12.049 1.00 0.00 O ATOM 668 OE2 GLU A 47 7.951 0.839 10.981 1.00 0.00 O ATOM 0 H GLU A 47 7.626 -0.942 7.004 1.00 0.00 H new ATOM 0 HA GLU A 47 9.414 -2.964 7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.930 -1.617 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.863 -2.801 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.872 -1.348 9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.929 -0.162 8.927 1.00 0.00 H new ATOM 675 N SER A 48 6.261 -3.769 7.359 1.00 0.00 N ATOM 676 CA SER A 48 5.368 -4.893 7.105 1.00 0.00 C ATOM 677 C SER A 48 5.931 -5.799 6.014 1.00 0.00 C ATOM 678 O SER A 48 6.043 -7.011 6.195 1.00 0.00 O ATOM 679 CB SER A 48 3.981 -4.389 6.700 1.00 0.00 C ATOM 680 OG SER A 48 2.964 -5.242 7.196 1.00 0.00 O ATOM 0 H SER A 48 5.817 -2.853 7.287 1.00 0.00 H new ATOM 0 HA SER A 48 5.282 -5.471 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.832 -3.379 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.914 -4.332 5.614 1.00 0.00 H new ATOM 0 HG SER A 48 2.087 -4.898 6.925 1.00 0.00 H new ATOM 686 N GLY A 49 6.284 -5.200 4.881 1.00 0.00 N ATOM 687 CA GLY A 49 6.832 -5.967 3.777 1.00 0.00 C ATOM 688 C GLY A 49 8.150 -6.628 4.127 1.00 0.00 C ATOM 689 O GLY A 49 8.388 -7.783 3.771 1.00 0.00 O ATOM 0 H GLY A 49 6.201 -4.198 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.114 -6.731 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.975 -5.311 2.919 1.00 0.00 H new ATOM 693 N LEU A 50 9.010 -5.895 4.825 1.00 0.00 N ATOM 694 CA LEU A 50 10.314 -6.416 5.222 1.00 0.00 C ATOM 695 C LEU A 50 10.160 -7.663 6.088 1.00 0.00 C ATOM 696 O LEU A 50 10.840 -8.666 5.873 1.00 0.00 O ATOM 697 CB LEU A 50 11.103 -5.348 5.981 1.00 0.00 C ATOM 698 CG LEU A 50 12.136 -5.862 6.984 1.00 0.00 C ATOM 699 CD1 LEU A 50 13.185 -6.711 6.282 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.790 -4.701 7.718 1.00 0.00 C ATOM 0 H LEU A 50 8.828 -4.938 5.128 1.00 0.00 H new ATOM 0 HA LEU A 50 10.860 -6.688 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.615 -4.718 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.396 -4.712 6.513 1.00 0.00 H new ATOM 0 HG LEU A 50 11.624 -6.486 7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.912 -7.068 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.703 -7.563 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.693 -6.111 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.522 -5.086 8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.288 -4.050 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.029 -4.134 8.254 1.00 0.00 H new ATOM 712 N GLN A 51 9.262 -7.591 7.065 1.00 0.00 N ATOM 713 CA GLN A 51 9.019 -8.715 7.962 1.00 0.00 C ATOM 714 C GLN A 51 8.409 -9.892 7.207 1.00 0.00 C ATOM 715 O GLN A 51 8.534 -11.041 7.628 1.00 0.00 O ATOM 716 CB GLN A 51 8.094 -8.292 9.104 1.00 0.00 C ATOM 717 CG GLN A 51 8.613 -7.104 9.899 1.00 0.00 C ATOM 718 CD GLN A 51 9.158 -7.504 11.256 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.479 -7.371 12.275 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.391 -7.997 11.277 1.00 0.00 N ATOM 0 H GLN A 51 8.691 -6.767 7.256 1.00 0.00 H new ATOM 0 HA GLN A 51 9.976 -9.030 8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.115 -8.045 8.695 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.953 -9.137 9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.397 -6.605 9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.808 -6.382 10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.918 -8.090 10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.811 -8.283 12.161 1.00 0.00 H new ATOM 729 N GLN A 52 7.749 -9.595 6.092 1.00 0.00 N ATOM 730 CA GLN A 52 7.119 -10.630 5.280 1.00 0.00 C ATOM 731 C GLN A 52 8.158 -11.383 4.456 1.00 0.00 C ATOM 732 O GLN A 52 7.960 -12.545 4.099 1.00 0.00 O ATOM 733 CB GLN A 52 6.068 -10.012 4.356 1.00 0.00 C ATOM 734 CG GLN A 52 4.642 -10.199 4.848 1.00 0.00 C ATOM 735 CD GLN A 52 4.305 -11.651 5.125 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.901 -12.006 6.233 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.469 -12.500 4.117 1.00 0.00 N ATOM 0 H GLN A 52 7.637 -8.648 5.731 1.00 0.00 H new ATOM 0 HA GLN A 52 6.632 -11.338 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.270 -8.946 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.163 -10.454 3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.496 -9.616 5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.950 -9.805 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.806 -12.162 3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.258 -13.490 4.244 1.00 0.00 H new ATOM 746 N LEU A 53 9.266 -10.714 4.155 1.00 0.00 N ATOM 747 CA LEU A 53 10.337 -11.320 3.372 1.00 0.00 C ATOM 748 C LEU A 53 11.101 -12.350 4.199 1.00 0.00 C ATOM 749 O LEU A 53 11.216 -13.513 3.810 1.00 0.00 O ATOM 750 CB LEU A 53 11.297 -10.243 2.865 1.00 0.00 C ATOM 751 CG LEU A 53 11.218 -9.922 1.372 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.775 -9.964 0.893 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.838 -8.562 1.085 1.00 0.00 C ATOM 0 H LEU A 53 9.446 -9.752 4.441 1.00 0.00 H new ATOM 0 HA LEU A 53 9.887 -11.828 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.110 -9.326 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.316 -10.555 3.096 1.00 0.00 H new ATOM 0 HG LEU A 53 11.783 -10.678 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.738 -9.733 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.364 -10.959 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.187 -9.230 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.773 -8.350 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.302 -7.793 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.884 -8.567 1.391 1.00 0.00 H new ATOM 765 N LEU A 54 11.620 -11.915 5.342 1.00 0.00 N ATOM 766 CA LEU A 54 12.371 -12.800 6.227 1.00 0.00 C ATOM 767 C LEU A 54 11.430 -13.672 7.051 1.00 0.00 C ATOM 768 O LEU A 54 11.872 -14.547 7.797 1.00 0.00 O ATOM 769 CB LEU A 54 13.270 -11.981 7.155 1.00 0.00 C ATOM 770 CG LEU A 54 12.695 -11.659 8.534 1.00 0.00 C ATOM 771 CD1 LEU A 54 11.234 -11.251 8.421 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.848 -12.851 9.468 1.00 0.00 C ATOM 0 H LEU A 54 11.535 -10.956 5.678 1.00 0.00 H new ATOM 0 HA LEU A 54 12.992 -13.450 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.206 -12.522 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.514 -11.043 6.657 1.00 0.00 H new ATOM 0 HG LEU A 54 13.253 -10.822 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.841 -11.026 9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.151 -10.367 7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.661 -12.067 7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.433 -12.603 10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.316 -13.708 9.055 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.905 -13.097 9.574 1.00 0.00 H new ATOM 784 N ASP A 55 10.131 -13.430 6.910 1.00 0.00 N ATOM 785 CA ASP A 55 9.127 -14.196 7.640 1.00 0.00 C ATOM 786 C ASP A 55 9.402 -15.693 7.532 1.00 0.00 C ATOM 787 O ASP A 55 9.702 -16.204 6.454 1.00 0.00 O ATOM 788 CB ASP A 55 7.729 -13.882 7.107 1.00 0.00 C ATOM 789 CG ASP A 55 7.237 -14.924 6.122 1.00 0.00 C ATOM 790 OD1 ASP A 55 7.833 -15.036 5.030 1.00 0.00 O ATOM 791 OD2 ASP A 55 6.255 -15.627 6.442 1.00 0.00 O ATOM 0 H ASP A 55 9.749 -12.710 6.297 1.00 0.00 H new ATOM 0 HA ASP A 55 9.179 -13.910 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.031 -13.817 7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.739 -12.905 6.623 1.00 0.00 H new ATOM 796 N GLY A 56 9.298 -16.392 8.659 1.00 0.00 N ATOM 797 CA GLY A 56 9.539 -17.823 8.669 1.00 0.00 C ATOM 798 C GLY A 56 10.284 -18.276 9.910 1.00 0.00 C ATOM 799 O GLY A 56 10.076 -19.388 10.395 1.00 0.00 O ATOM 0 H GLY A 56 9.051 -15.993 9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.586 -18.349 8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.112 -18.098 7.784 1.00 0.00 H new ATOM 803 N SER A 57 11.155 -17.413 10.423 1.00 0.00 N ATOM 804 CA SER A 57 11.937 -17.733 11.612 1.00 0.00 C ATOM 805 C SER A 57 11.427 -16.957 12.823 1.00 0.00 C ATOM 806 O SER A 57 11.331 -17.497 13.924 1.00 0.00 O ATOM 807 CB SER A 57 13.415 -17.417 11.375 1.00 0.00 C ATOM 808 OG SER A 57 13.568 -16.249 10.588 1.00 0.00 O ATOM 0 H SER A 57 11.337 -16.488 10.035 1.00 0.00 H new ATOM 0 HA SER A 57 11.828 -18.799 11.813 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.919 -17.283 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.895 -18.260 10.877 1.00 0.00 H new ATOM 0 HG SER A 57 14.522 -16.068 10.453 1.00 0.00 H new ATOM 814 N GLY A 58 11.101 -15.686 12.609 1.00 0.00 N ATOM 815 CA GLY A 58 10.605 -14.856 13.691 1.00 0.00 C ATOM 816 C GLY A 58 11.720 -14.149 14.437 1.00 0.00 C ATOM 817 O GLY A 58 12.233 -14.661 15.433 1.00 0.00 O ATOM 0 H GLY A 58 11.172 -15.217 11.706 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.914 -14.115 13.289 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.040 -15.474 14.389 1.00 0.00 H new ATOM 821 N LEU A 59 12.097 -12.970 13.956 1.00 0.00 N ATOM 822 CA LEU A 59 13.159 -12.191 14.583 1.00 0.00 C ATOM 823 C LEU A 59 12.688 -10.772 14.885 1.00 0.00 C ATOM 824 O LEU A 59 11.576 -10.388 14.525 1.00 0.00 O ATOM 825 CB LEU A 59 14.391 -12.150 13.677 1.00 0.00 C ATOM 826 CG LEU A 59 15.448 -13.226 13.932 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.269 -14.389 12.969 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.846 -12.639 13.809 1.00 0.00 C ATOM 0 H LEU A 59 11.683 -12.532 13.133 1.00 0.00 H new ATOM 0 HA LEU A 59 13.423 -12.674 15.524 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.059 -12.233 12.642 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.863 -11.173 13.783 1.00 0.00 H new ATOM 0 HG LEU A 59 15.321 -13.600 14.948 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.030 -15.144 13.165 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.280 -14.826 13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.369 -14.031 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.585 -13.418 13.994 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.985 -12.237 12.805 1.00 0.00 H new ATOM 0 HD23 LEU A 59 16.971 -11.840 14.540 1.00 0.00 H new ATOM 840 N GLN A 60 13.544 -9.999 15.547 1.00 0.00 N ATOM 841 CA GLN A 60 13.215 -8.622 15.895 1.00 0.00 C ATOM 842 C GLN A 60 14.153 -7.644 15.196 1.00 0.00 C ATOM 843 O GLN A 60 15.364 -7.862 15.139 1.00 0.00 O ATOM 844 CB GLN A 60 13.292 -8.425 17.410 1.00 0.00 C ATOM 845 CG GLN A 60 14.564 -8.979 18.032 1.00 0.00 C ATOM 846 CD GLN A 60 15.747 -8.046 17.870 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.586 -6.873 17.530 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.946 -8.562 18.113 1.00 0.00 N ATOM 0 H GLN A 60 14.469 -10.303 15.852 1.00 0.00 H new ATOM 0 HA GLN A 60 12.197 -8.423 15.560 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.222 -7.360 17.634 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.431 -8.906 17.875 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.395 -9.164 19.093 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.799 -9.940 17.575 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.034 -9.539 18.392 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.779 -7.981 18.020 1.00 0.00 H new ATOM 857 N VAL A 61 13.587 -6.566 14.663 1.00 0.00 N ATOM 858 CA VAL A 61 14.373 -5.554 13.967 1.00 0.00 C ATOM 859 C VAL A 61 14.360 -4.231 14.724 1.00 0.00 C ATOM 860 O VAL A 61 13.347 -3.850 15.313 1.00 0.00 O ATOM 861 CB VAL A 61 13.848 -5.321 12.538 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.968 -4.835 11.630 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.218 -6.591 11.988 1.00 0.00 C ATOM 0 H VAL A 61 12.587 -6.371 14.700 1.00 0.00 H new ATOM 0 HA VAL A 61 15.395 -5.928 13.914 1.00 0.00 H new ATOM 0 HB VAL A 61 13.080 -4.548 12.573 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.578 -4.676 10.625 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.369 -3.898 12.016 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.761 -5.583 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.853 -6.408 10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.963 -7.387 11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.386 -6.890 12.626 1.00 0.00 H new ATOM 873 N LYS A 62 15.490 -3.534 14.706 1.00 0.00 N ATOM 874 CA LYS A 62 15.610 -2.251 15.389 1.00 0.00 C ATOM 875 C LYS A 62 16.528 -1.308 14.619 1.00 0.00 C ATOM 876 O LYS A 62 17.554 -1.712 14.070 1.00 0.00 O ATOM 877 CB LYS A 62 16.145 -2.455 16.808 1.00 0.00 C ATOM 878 CG LYS A 62 17.501 -3.138 16.855 1.00 0.00 C ATOM 879 CD LYS A 62 17.377 -4.595 17.268 1.00 0.00 C ATOM 880 CE LYS A 62 18.534 -5.022 18.159 1.00 0.00 C ATOM 881 NZ LYS A 62 18.108 -5.196 19.575 1.00 0.00 N ATOM 0 H LYS A 62 16.337 -3.836 14.225 1.00 0.00 H new ATOM 0 HA LYS A 62 14.619 -1.801 15.441 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.218 -1.486 17.302 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.429 -3.049 17.375 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.975 -3.076 15.875 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.149 -2.614 17.557 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.435 -4.746 17.796 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.349 -5.225 16.379 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.952 -5.958 17.788 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.327 -4.276 18.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.924 -5.487 20.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.732 -4.297 19.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.369 -5.926 19.628 1.00 0.00 H new ATOM 895 N PRO A 63 16.155 -0.021 14.577 1.00 0.00 N ATOM 896 CA PRO A 63 16.933 1.007 13.878 1.00 0.00 C ATOM 897 C PRO A 63 18.253 1.311 14.578 1.00 0.00 C ATOM 898 O PRO A 63 18.428 1.000 15.757 1.00 0.00 O ATOM 899 CB PRO A 63 16.014 2.231 13.912 1.00 0.00 C ATOM 900 CG PRO A 63 15.143 2.018 15.102 1.00 0.00 C ATOM 901 CD PRO A 63 14.945 0.531 15.209 1.00 0.00 C ATOM 0 HA PRO A 63 17.211 0.694 12.872 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.587 3.154 14.001 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.424 2.309 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.610 2.415 16.003 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.189 2.531 14.984 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.853 0.212 16.247 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.040 0.208 14.694 1.00 0.00 H new ATOM 909 N LEU A 64 19.178 1.921 13.846 1.00 0.00 N ATOM 910 CA LEU A 64 20.484 2.268 14.397 1.00 0.00 C ATOM 911 C LEU A 64 20.756 3.762 14.252 1.00 0.00 C ATOM 912 O LEU A 64 20.874 4.481 15.244 1.00 0.00 O ATOM 913 CB LEU A 64 21.584 1.467 13.698 1.00 0.00 C ATOM 914 CG LEU A 64 21.216 0.042 13.283 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.335 -0.581 12.464 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.912 -0.808 14.508 1.00 0.00 C ATOM 0 H LEU A 64 19.049 2.186 12.870 1.00 0.00 H new ATOM 0 HA LEU A 64 20.481 2.019 15.458 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.895 2.014 12.808 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.448 1.419 14.361 1.00 0.00 H new ATOM 0 HG LEU A 64 20.320 0.084 12.663 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.055 -1.595 12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.505 0.015 11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.248 -0.611 13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.652 -1.819 14.194 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.790 -0.843 15.154 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.076 -0.372 15.055 1.00 0.00 H new ATOM 928 N GLY A 65 20.853 4.223 13.009 1.00 0.00 N ATOM 929 CA GLY A 65 21.108 5.629 12.757 1.00 0.00 C ATOM 930 C GLY A 65 20.201 6.200 11.685 1.00 0.00 C ATOM 931 O GLY A 65 18.994 6.325 11.887 1.00 0.00 O ATOM 0 H GLY A 65 20.760 3.648 12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.972 6.191 13.681 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.148 5.758 12.456 1.00 0.00 H new ATOM 935 N ASN A 66 20.784 6.550 10.543 1.00 0.00 N ATOM 936 CA ASN A 66 20.020 7.113 9.436 1.00 0.00 C ATOM 937 C ASN A 66 19.076 6.073 8.841 1.00 0.00 C ATOM 938 O ASN A 66 19.419 5.386 7.880 1.00 0.00 O ATOM 939 CB ASN A 66 20.964 7.640 8.353 1.00 0.00 C ATOM 940 CG ASN A 66 20.221 8.319 7.219 1.00 0.00 C ATOM 941 OD1 ASN A 66 20.502 8.076 6.045 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.267 9.175 7.565 1.00 0.00 N ATOM 0 H ASN A 66 21.783 6.454 10.360 1.00 0.00 H new ATOM 0 HA ASN A 66 19.424 7.939 9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.665 8.346 8.798 1.00 0.00 H new ATOM 0 HB3 ASN A 66 21.553 6.814 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.733 9.662 6.845 1.00 0.00 H new ATOM 0 HD22 ASN A 66 19.068 9.346 8.551 1.00 0.00 H new ATOM 949 N ASN A 67 17.885 5.962 9.421 1.00 0.00 N ATOM 950 CA ASN A 67 16.890 5.006 8.948 1.00 0.00 C ATOM 951 C ASN A 67 17.533 3.653 8.655 1.00 0.00 C ATOM 952 O ASN A 67 17.107 2.935 7.751 1.00 0.00 O ATOM 953 CB ASN A 67 16.198 5.537 7.691 1.00 0.00 C ATOM 954 CG ASN A 67 14.687 5.450 7.783 1.00 0.00 C ATOM 955 OD1 ASN A 67 13.993 6.466 7.756 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.171 4.231 7.891 1.00 0.00 N ATOM 0 H ASN A 67 17.586 6.522 10.219 1.00 0.00 H new ATOM 0 HA ASN A 67 16.147 4.874 9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.490 6.575 7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.540 4.971 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.160 4.109 7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.785 3.417 7.909 1.00 0.00 H new ATOM 963 N SER A 68 18.560 3.313 9.427 1.00 0.00 N ATOM 964 CA SER A 68 19.264 2.048 9.250 1.00 0.00 C ATOM 965 C SER A 68 18.726 0.988 10.206 1.00 0.00 C ATOM 966 O SER A 68 18.850 1.116 11.424 1.00 0.00 O ATOM 967 CB SER A 68 20.765 2.239 9.473 1.00 0.00 C ATOM 968 OG SER A 68 21.015 3.319 10.357 1.00 0.00 O ATOM 0 H SER A 68 18.923 3.896 10.181 1.00 0.00 H new ATOM 0 HA SER A 68 19.097 1.708 8.228 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.195 1.324 9.881 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.257 2.425 8.518 1.00 0.00 H new ATOM 0 HG SER A 68 21.981 3.420 10.485 1.00 0.00 H new ATOM 974 N TRP A 69 18.129 -0.057 9.646 1.00 0.00 N ATOM 975 CA TRP A 69 17.572 -1.140 10.448 1.00 0.00 C ATOM 976 C TRP A 69 18.460 -2.378 10.383 1.00 0.00 C ATOM 977 O TRP A 69 19.143 -2.613 9.386 1.00 0.00 O ATOM 978 CB TRP A 69 16.161 -1.484 9.969 1.00 0.00 C ATOM 979 CG TRP A 69 15.202 -0.337 10.076 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.315 0.885 9.476 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.984 -0.305 10.829 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.241 1.674 9.812 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.410 0.967 10.640 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.322 -1.228 11.643 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.208 1.337 11.236 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.129 -0.859 12.235 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.582 0.414 12.028 1.00 0.00 C ATOM 0 H TRP A 69 18.018 -0.178 8.639 1.00 0.00 H new ATOM 0 HA TRP A 69 17.524 -0.804 11.484 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.208 -1.814 8.931 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.781 -2.322 10.553 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.128 1.187 8.833 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.088 2.632 9.496 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.735 -2.212 11.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.785 2.318 11.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.610 -1.564 12.868 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.647 0.672 12.503 1.00 0.00 H new ATOM 998 N THR A 70 18.446 -3.168 11.453 1.00 0.00 N ATOM 999 CA THR A 70 19.251 -4.381 11.517 1.00 0.00 C ATOM 1000 C THR A 70 18.448 -5.544 12.089 1.00 0.00 C ATOM 1001 O THR A 70 17.538 -5.346 12.895 1.00 0.00 O ATOM 1002 CB THR A 70 20.513 -4.173 12.374 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.393 -5.294 12.232 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.148 -3.992 13.840 1.00 0.00 C ATOM 0 H THR A 70 17.886 -2.989 12.286 1.00 0.00 H new ATOM 0 HA THR A 70 19.549 -4.617 10.495 1.00 0.00 H new ATOM 0 HB THR A 70 21.016 -3.271 12.026 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.517 -5.494 11.281 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.056 -3.847 14.426 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.502 -3.121 13.949 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.624 -4.879 14.197 1.00 0.00 H new ATOM 1012 N LEU A 71 18.790 -6.757 11.668 1.00 0.00 N ATOM 1013 CA LEU A 71 18.101 -7.953 12.139 1.00 0.00 C ATOM 1014 C LEU A 71 18.923 -8.671 13.204 1.00 0.00 C ATOM 1015 O LEU A 71 20.110 -8.936 13.012 1.00 0.00 O ATOM 1016 CB LEU A 71 17.822 -8.899 10.970 1.00 0.00 C ATOM 1017 CG LEU A 71 16.383 -8.919 10.452 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.419 -9.291 11.568 1.00 0.00 C ATOM 1019 CD2 LEU A 71 16.013 -7.570 9.853 1.00 0.00 C ATOM 0 H LEU A 71 19.540 -6.938 11.001 1.00 0.00 H new ATOM 0 HA LEU A 71 17.154 -7.645 12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.480 -8.629 10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.092 -9.910 11.275 1.00 0.00 H new ATOM 0 HG LEU A 71 16.309 -9.674 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.400 -9.300 11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.670 -10.280 11.951 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.495 -8.560 12.373 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.986 -7.603 9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.104 -6.796 10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.684 -7.343 9.024 1.00 0.00 H new ATOM 1031 N GLU A 72 18.284 -8.986 14.327 1.00 0.00 N ATOM 1032 CA GLU A 72 18.957 -9.675 15.421 1.00 0.00 C ATOM 1033 C GLU A 72 17.991 -10.595 16.161 1.00 0.00 C ATOM 1034 O GLU A 72 16.771 -10.450 16.080 1.00 0.00 O ATOM 1035 CB GLU A 72 19.562 -8.662 16.396 1.00 0.00 C ATOM 1036 CG GLU A 72 20.969 -8.225 16.024 1.00 0.00 C ATOM 1037 CD GLU A 72 21.750 -7.700 17.212 1.00 0.00 C ATOM 1038 OE1 GLU A 72 21.511 -6.542 17.615 1.00 0.00 O ATOM 1039 OE2 GLU A 72 22.601 -8.446 17.740 1.00 0.00 O ATOM 0 H GLU A 72 17.302 -8.775 14.502 1.00 0.00 H new ATOM 0 HA GLU A 72 19.756 -10.282 14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.918 -7.784 16.441 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.578 -9.097 17.395 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.504 -9.068 15.587 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.915 -7.451 15.259 1.00 0.00 H new