USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 833 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: B 49 THR OG1 : rot -100:sc= 1.24 USER MOD Set 1.2: B 51 THR OG1 : rot 56:sc= -0.136 USER MOD Set 2.1: B 44 THR OG1 : rot 41:sc= 1.66 USER MOD Set 2.2: B 53 THR OG1 : rot 108:sc= 1.71! USER MOD Set 3.1: A 50 LYS NZ :NH3+ -169:sc= -0.0164 (180deg=-0.172) USER MOD Set 3.2: B 1 MET CE :methyl -165:sc= -1.18 (180deg=-1.63) USER MOD Set 4.1: A 49 THR OG1 : rot -99:sc= 1.26 USER MOD Set 4.2: A 51 THR OG1 : rot 57:sc= -0.13 USER MOD Set 5.1: A 44 THR OG1 : rot 41:sc= 1.49! USER MOD Set 5.2: A 53 THR OG1 : rot 110:sc= 1.86 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 172:sc= -3.2 USER MOD Single : A 4 LYS NZ :NH3+ -110:sc= -0.677 (180deg=-2.31!) USER MOD Single : A 8 ASN : amide:sc= -0.514 K(o=-0.51,f=-3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -1.86! USER MOD Single : A 13 LYS NZ :NH3+ 132:sc= 0.0106 (180deg=-0.283) USER MOD Single : A 16 THR OG1 : rot -160:sc= -4.88! USER MOD Single : A 17 THR OG1 : rot 30:sc= 0.289 USER MOD Single : A 18 THR OG1 : rot 32:sc= 0.641 USER MOD Single : A 25 THR OG1 : rot -9:sc= -0.175 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0217 (180deg=-0.252) USER MOD Single : A 31 LYS NZ :NH3+ -112:sc= -3.53 (180deg=-6.66!) USER MOD Single : A 32 GLN : amide:sc= -6.75! C(o=-6.7!,f=-7.5!) USER MOD Single : A 35 ASN : amide:sc= -3.36 K(o=-3.4,f=-4.1!) USER MOD Single : A 37 ASN : amide:sc= -5.78! C(o=-5.8!,f=-5.9!) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0608) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot -43:sc= -3.19 USER MOD Single : B 4 LYS NZ :NH3+ -109:sc= -0.688 (180deg=-2.33!) USER MOD Single : B 8 ASN : amide:sc= -0.505 K(o=-0.51,f=-2.9!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -140:sc= -1.86! USER MOD Single : B 13 LYS NZ :NH3+ 136:sc= 0.0186 (180deg=-0.272) USER MOD Single : B 16 THR OG1 : rot 180:sc= -4.89! USER MOD Single : B 17 THR OG1 : rot 22:sc= 0.44 USER MOD Single : B 18 THR OG1 : rot 32:sc= 0.643 USER MOD Single : B 25 THR OG1 : rot -11:sc= -0.107 USER MOD Single : B 28 LYS NZ :NH3+ -166:sc= -0.0263 (180deg=-0.257) USER MOD Single : B 31 LYS NZ :NH3+ -113:sc= -3.58 (180deg=-6.63!) USER MOD Single : B 32 GLN : amide:sc= -6.75! C(o=-6.8!,f=-7.4!) USER MOD Single : B 35 ASN : amide:sc= -3.41 K(o=-3.4,f=-4.2!) USER MOD Single : B 37 ASN : amide:sc= -5.75! C(o=-5.8!,f=-5.9!) USER MOD Single : B 45 TYR OH : rot 180:sc= -1.04 USER MOD Single : B 50 LYS NZ :NH3+ -169:sc= -0.019 (180deg=-0.153) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.569 -15.381 1.082 1.00 0.00 N ATOM 21 CA GLN A 2 7.340 -13.943 1.105 1.00 0.00 C ATOM 22 C GLN A 2 7.164 -13.420 -0.315 1.00 0.00 C ATOM 23 O GLN A 2 7.820 -13.892 -1.243 1.00 0.00 O ATOM 24 CB GLN A 2 8.506 -13.225 1.789 1.00 0.00 C ATOM 25 CG GLN A 2 8.332 -11.718 1.866 1.00 0.00 C ATOM 26 CD GLN A 2 9.497 -11.031 2.550 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.640 -11.129 2.102 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.214 -10.328 3.641 1.00 0.00 N ATOM 0 HA GLN A 2 6.430 -13.745 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.624 -13.621 2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.426 -13.449 1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.219 -11.317 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.413 -11.489 2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.253 -10.273 3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.958 -9.843 4.142 1.00 0.00 H new ATOM 37 N TYR A 3 6.275 -12.451 -0.483 1.00 0.00 N ATOM 38 CA TYR A 3 6.019 -11.880 -1.801 1.00 0.00 C ATOM 39 C TYR A 3 6.276 -10.379 -1.816 1.00 0.00 C ATOM 40 O TYR A 3 6.034 -9.684 -0.827 1.00 0.00 O ATOM 41 CB TYR A 3 4.584 -12.174 -2.238 1.00 0.00 C ATOM 42 CG TYR A 3 4.305 -13.647 -2.430 1.00 0.00 C ATOM 43 CD1 TYR A 3 3.964 -14.457 -1.354 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.386 -14.229 -3.689 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.713 -15.805 -1.527 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.135 -15.577 -3.870 1.00 0.00 C ATOM 47 CZ TYR A 3 3.799 -16.359 -2.786 1.00 0.00 C ATOM 48 OH TYR A 3 3.550 -17.701 -2.962 1.00 0.00 O ATOM 0 H TYR A 3 5.721 -12.045 0.271 1.00 0.00 H new ATOM 0 HA TYR A 3 6.708 -12.346 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.896 -11.776 -1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.381 -11.649 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.894 -14.026 -0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.649 -13.619 -4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.451 -16.421 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.202 -16.014 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 3 3.526 -17.906 -3.920 1.00 0.00 H new ATOM 58 N LYS A 4 6.756 -9.889 -2.956 1.00 0.00 N ATOM 59 CA LYS A 4 7.044 -8.470 -3.128 1.00 0.00 C ATOM 60 C LYS A 4 5.868 -7.774 -3.808 1.00 0.00 C ATOM 61 O LYS A 4 5.675 -7.902 -5.015 1.00 0.00 O ATOM 62 CB LYS A 4 8.310 -8.293 -3.973 1.00 0.00 C ATOM 63 CG LYS A 4 8.660 -6.842 -4.268 1.00 0.00 C ATOM 64 CD LYS A 4 9.657 -6.279 -3.267 1.00 0.00 C ATOM 65 CE LYS A 4 9.102 -6.295 -1.855 1.00 0.00 C ATOM 66 NZ LYS A 4 10.034 -5.659 -0.884 1.00 0.00 N ATOM 0 H LYS A 4 6.954 -10.459 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 4 7.202 -8.022 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.148 -8.760 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.182 -8.824 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.075 -6.767 -5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.752 -6.240 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.578 -6.861 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.915 -5.257 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.145 -5.773 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.910 -7.324 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.436 -6.388 -0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.801 -5.183 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.517 -4.961 -0.312 1.00 0.00 H new ATOM 80 N VAL A 5 5.085 -7.038 -3.029 1.00 0.00 N ATOM 81 CA VAL A 5 3.933 -6.329 -3.569 1.00 0.00 C ATOM 82 C VAL A 5 4.287 -4.884 -3.907 1.00 0.00 C ATOM 83 O VAL A 5 4.579 -4.078 -3.026 1.00 0.00 O ATOM 84 CB VAL A 5 2.747 -6.353 -2.586 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.543 -5.631 -3.176 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.389 -7.784 -2.217 1.00 0.00 C ATOM 0 H VAL A 5 5.226 -6.917 -2.026 1.00 0.00 H new ATOM 0 HA VAL A 5 3.639 -6.845 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 5 3.044 -5.829 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.717 -5.660 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.807 -4.594 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.242 -6.121 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.549 -7.781 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.113 -8.334 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.247 -8.264 -1.747 1.00 0.00 H new ATOM 96 N ILE A 6 4.254 -4.566 -5.194 1.00 0.00 N ATOM 97 CA ILE A 6 4.565 -3.223 -5.661 1.00 0.00 C ATOM 98 C ILE A 6 3.295 -2.396 -5.832 1.00 0.00 C ATOM 99 O ILE A 6 2.418 -2.740 -6.623 1.00 0.00 O ATOM 100 CB ILE A 6 5.340 -3.264 -6.996 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.686 -3.961 -6.801 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.540 -1.860 -7.547 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.493 -4.086 -8.075 1.00 0.00 C ATOM 0 H ILE A 6 4.014 -5.224 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 6 5.193 -2.753 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 6 4.754 -3.831 -7.720 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.269 -3.408 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.514 -4.956 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.088 -1.913 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.569 -1.395 -7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.106 -1.265 -6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.435 -4.590 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.930 -4.665 -8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.696 -3.093 -8.476 1.00 0.00 H new ATOM 115 N LEU A 7 3.208 -1.302 -5.087 1.00 0.00 N ATOM 116 CA LEU A 7 2.052 -0.420 -5.155 1.00 0.00 C ATOM 117 C LEU A 7 2.375 0.775 -6.046 1.00 0.00 C ATOM 118 O LEU A 7 2.811 1.822 -5.566 1.00 0.00 O ATOM 119 CB LEU A 7 1.669 0.041 -3.747 1.00 0.00 C ATOM 120 CG LEU A 7 1.770 -1.042 -2.675 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.287 -0.512 -1.334 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.979 -2.275 -3.088 1.00 0.00 C ATOM 0 H LEU A 7 3.927 -1.004 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 7 1.205 -0.956 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.312 0.875 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.647 0.419 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 7 2.816 -1.329 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.366 -1.297 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.901 0.338 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.247 -0.196 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.062 -3.037 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.069 -2.007 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.377 -2.666 -4.025 1.00 0.00 H new ATOM 134 N ASN A 8 2.194 0.595 -7.350 1.00 0.00 N ATOM 135 CA ASN A 8 2.503 1.636 -8.323 1.00 0.00 C ATOM 136 C ASN A 8 1.285 2.489 -8.670 1.00 0.00 C ATOM 137 O ASN A 8 0.360 2.033 -9.343 1.00 0.00 O ATOM 138 CB ASN A 8 3.060 0.991 -9.594 1.00 0.00 C ATOM 139 CG ASN A 8 3.616 2.001 -10.575 1.00 0.00 C ATOM 140 OD1 ASN A 8 2.937 2.955 -10.955 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.854 1.783 -11.003 1.00 0.00 N ATOM 0 H ASN A 8 1.833 -0.267 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 8 3.244 2.298 -7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.846 0.286 -9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.271 0.417 -10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.281 2.420 -11.675 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.378 0.978 -10.659 1.00 0.00 H new ATOM 148 N GLY A 9 1.288 3.732 -8.210 1.00 0.00 N ATOM 149 CA GLY A 9 0.180 4.619 -8.495 1.00 0.00 C ATOM 150 C GLY A 9 0.595 5.825 -9.307 1.00 0.00 C ATOM 151 O GLY A 9 1.713 5.889 -9.818 1.00 0.00 O ATOM 0 H GLY A 9 2.034 4.140 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.591 4.070 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.264 4.952 -7.557 1.00 0.00 H new ATOM 155 N LYS A 10 -0.312 6.782 -9.418 1.00 0.00 N ATOM 156 CA LYS A 10 -0.056 8.002 -10.163 1.00 0.00 C ATOM 157 C LYS A 10 0.707 9.000 -9.299 1.00 0.00 C ATOM 158 O LYS A 10 1.805 9.435 -9.647 1.00 0.00 O ATOM 159 CB LYS A 10 -1.383 8.605 -10.624 1.00 0.00 C ATOM 160 CG LYS A 10 -2.253 7.626 -11.398 1.00 0.00 C ATOM 161 CD LYS A 10 -3.639 8.193 -11.660 1.00 0.00 C ATOM 162 CE LYS A 10 -3.568 9.487 -12.451 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.922 10.040 -12.738 1.00 0.00 N ATOM 0 H LYS A 10 -1.240 6.735 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 10 0.554 7.768 -11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.934 8.960 -9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.181 9.474 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.773 7.384 -12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.340 6.695 -10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.235 7.463 -12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.146 8.372 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.987 10.222 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.042 9.310 -13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.829 10.923 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.468 9.350 -13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.415 10.233 -11.843 1.00 0.00 H new ATOM 177 N THR A 11 0.113 9.349 -8.162 1.00 0.00 N ATOM 178 CA THR A 11 0.712 10.283 -7.226 1.00 0.00 C ATOM 179 C THR A 11 1.361 9.540 -6.067 1.00 0.00 C ATOM 180 O THR A 11 1.926 10.153 -5.162 1.00 0.00 O ATOM 181 CB THR A 11 -0.361 11.228 -6.692 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.563 10.524 -6.442 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.679 12.377 -7.624 1.00 0.00 C ATOM 0 H THR A 11 -0.796 8.991 -7.868 1.00 0.00 H new ATOM 0 HA THR A 11 1.481 10.854 -7.746 1.00 0.00 H new ATOM 0 HB THR A 11 0.054 11.644 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.327 11.071 -6.720 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.450 13.005 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.220 12.970 -7.791 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.037 11.985 -8.576 1.00 0.00 H new ATOM 191 N LEU A 12 1.268 8.215 -6.095 1.00 0.00 N ATOM 192 CA LEU A 12 1.836 7.394 -5.045 1.00 0.00 C ATOM 193 C LEU A 12 2.564 6.188 -5.627 1.00 0.00 C ATOM 194 O LEU A 12 2.068 5.529 -6.540 1.00 0.00 O ATOM 195 CB LEU A 12 0.738 6.948 -4.079 1.00 0.00 C ATOM 196 CG LEU A 12 1.204 6.064 -2.934 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.406 6.694 -2.261 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.077 5.845 -1.937 1.00 0.00 C ATOM 0 H LEU A 12 0.803 7.691 -6.836 1.00 0.00 H new ATOM 0 HA LEU A 12 2.566 7.990 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.261 7.835 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.025 6.412 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 12 1.494 5.090 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.738 6.058 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.213 6.803 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.133 7.675 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.429 5.210 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.244 6.806 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.763 5.362 -2.437 1.00 0.00 H new ATOM 210 N LYS A 13 3.743 5.909 -5.085 1.00 0.00 N ATOM 211 CA LYS A 13 4.552 4.782 -5.536 1.00 0.00 C ATOM 212 C LYS A 13 5.299 4.166 -4.362 1.00 0.00 C ATOM 213 O LYS A 13 5.713 4.875 -3.447 1.00 0.00 O ATOM 214 CB LYS A 13 5.543 5.235 -6.610 1.00 0.00 C ATOM 215 CG LYS A 13 4.878 5.848 -7.830 1.00 0.00 C ATOM 216 CD LYS A 13 5.903 6.268 -8.870 1.00 0.00 C ATOM 217 CE LYS A 13 5.237 6.881 -10.093 1.00 0.00 C ATOM 218 NZ LYS A 13 4.413 8.072 -9.744 1.00 0.00 N ATOM 0 H LYS A 13 4.162 6.450 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 13 3.890 4.030 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.229 5.963 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.142 4.380 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.186 5.129 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.289 6.714 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.594 6.988 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.493 5.402 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.001 7.168 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.607 6.133 -10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.638 8.852 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.404 7.832 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.621 8.364 -8.768 1.00 0.00 H new ATOM 232 N GLY A 14 5.474 2.849 -4.384 1.00 0.00 N ATOM 233 CA GLY A 14 6.177 2.194 -3.299 1.00 0.00 C ATOM 234 C GLY A 14 6.247 0.689 -3.445 1.00 0.00 C ATOM 235 O GLY A 14 5.988 0.146 -4.519 1.00 0.00 O ATOM 0 H GLY A 14 5.145 2.230 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.190 2.593 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.683 2.437 -2.358 1.00 0.00 H new ATOM 239 N GLU A 15 6.601 0.019 -2.354 1.00 0.00 N ATOM 240 CA GLU A 15 6.712 -1.431 -2.345 1.00 0.00 C ATOM 241 C GLU A 15 6.388 -1.994 -0.965 1.00 0.00 C ATOM 242 O GLU A 15 6.743 -1.408 0.058 1.00 0.00 O ATOM 243 CB GLU A 15 8.117 -1.861 -2.766 1.00 0.00 C ATOM 244 CG GLU A 15 8.502 -1.397 -4.161 1.00 0.00 C ATOM 245 CD GLU A 15 9.899 -1.832 -4.557 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.152 -3.055 -4.589 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.739 -0.952 -4.835 1.00 0.00 O ATOM 0 H GLU A 15 6.817 0.462 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 15 5.990 -1.828 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.838 -1.468 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.184 -2.948 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.785 -1.791 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.437 -0.310 -4.209 1.00 0.00 H new ATOM 254 N THR A 16 5.714 -3.135 -0.953 1.00 0.00 N ATOM 255 CA THR A 16 5.332 -3.802 0.286 1.00 0.00 C ATOM 256 C THR A 16 5.524 -5.313 0.168 1.00 0.00 C ATOM 257 O THR A 16 5.772 -5.826 -0.921 1.00 0.00 O ATOM 258 CB THR A 16 3.886 -3.454 0.654 1.00 0.00 C ATOM 259 OG1 THR A 16 3.357 -4.412 1.536 1.00 0.00 O ATOM 260 CG2 THR A 16 2.957 -3.356 -0.535 1.00 0.00 C ATOM 0 H THR A 16 5.417 -3.624 -1.798 1.00 0.00 H new ATOM 0 HA THR A 16 5.981 -3.447 1.087 1.00 0.00 H new ATOM 0 HB THR A 16 3.941 -2.470 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.378 -4.371 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.953 -3.107 -0.192 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.313 -2.579 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.935 -4.311 -1.059 1.00 0.00 H new ATOM 268 N THR A 17 5.433 -6.026 1.294 1.00 0.00 N ATOM 269 CA THR A 17 5.629 -7.475 1.283 1.00 0.00 C ATOM 270 C THR A 17 4.674 -8.214 2.221 1.00 0.00 C ATOM 271 O THR A 17 4.631 -7.951 3.424 1.00 0.00 O ATOM 272 CB THR A 17 7.068 -7.815 1.667 1.00 0.00 C ATOM 273 OG1 THR A 17 7.340 -7.418 2.998 1.00 0.00 O ATOM 274 CG2 THR A 17 8.092 -7.159 0.775 1.00 0.00 C ATOM 0 H THR A 17 5.228 -5.629 2.211 1.00 0.00 H new ATOM 0 HA THR A 17 5.415 -7.807 0.267 1.00 0.00 H new ATOM 0 HB THR A 17 7.150 -8.896 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.516 -7.461 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.093 -7.441 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.940 -7.485 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.984 -6.076 0.832 1.00 0.00 H new ATOM 282 N THR A 18 3.932 -9.155 1.649 1.00 0.00 N ATOM 283 CA THR A 18 2.984 -9.979 2.400 1.00 0.00 C ATOM 284 C THR A 18 3.485 -11.423 2.451 1.00 0.00 C ATOM 285 O THR A 18 4.080 -11.910 1.490 1.00 0.00 O ATOM 286 CB THR A 18 1.601 -9.932 1.745 1.00 0.00 C ATOM 287 OG1 THR A 18 0.649 -10.608 2.545 1.00 0.00 O ATOM 288 CG2 THR A 18 1.566 -10.556 0.365 1.00 0.00 C ATOM 0 H THR A 18 3.968 -9.370 0.653 1.00 0.00 H new ATOM 0 HA THR A 18 2.904 -9.587 3.414 1.00 0.00 H new ATOM 0 HB THR A 18 1.362 -8.873 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.888 -10.510 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.556 -10.488 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.256 -10.026 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.860 -11.603 0.432 1.00 0.00 H new ATOM 296 N GLU A 19 3.244 -12.103 3.565 1.00 0.00 N ATOM 297 CA GLU A 19 3.678 -13.491 3.718 1.00 0.00 C ATOM 298 C GLU A 19 2.484 -14.435 3.619 1.00 0.00 C ATOM 299 O GLU A 19 1.559 -14.360 4.425 1.00 0.00 O ATOM 300 CB GLU A 19 4.384 -13.679 5.062 1.00 0.00 C ATOM 301 CG GLU A 19 4.873 -15.100 5.301 1.00 0.00 C ATOM 302 CD GLU A 19 5.570 -15.263 6.639 1.00 0.00 C ATOM 303 OE1 GLU A 19 5.673 -14.265 7.383 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.014 -16.390 6.942 1.00 0.00 O ATOM 0 H GLU A 19 2.753 -11.721 4.373 1.00 0.00 H new ATOM 0 HA GLU A 19 4.377 -13.726 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.233 -12.998 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.701 -13.399 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.026 -15.784 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.558 -15.383 4.502 1.00 0.00 H new ATOM 311 N ALA A 20 2.496 -15.318 2.621 1.00 0.00 N ATOM 312 CA ALA A 20 1.394 -16.255 2.433 1.00 0.00 C ATOM 313 C ALA A 20 1.858 -17.576 1.821 1.00 0.00 C ATOM 314 O ALA A 20 2.858 -17.633 1.105 1.00 0.00 O ATOM 315 CB ALA A 20 0.320 -15.620 1.565 1.00 0.00 C ATOM 0 H ALA A 20 3.249 -15.403 1.938 1.00 0.00 H new ATOM 0 HA ALA A 20 0.983 -16.483 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.501 -16.324 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.053 -14.718 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.743 -15.362 0.594 1.00 0.00 H new ATOM 321 N VAL A 21 1.124 -18.638 2.137 1.00 0.00 N ATOM 322 CA VAL A 21 1.439 -19.982 1.654 1.00 0.00 C ATOM 323 C VAL A 21 1.643 -20.007 0.139 1.00 0.00 C ATOM 324 O VAL A 21 2.389 -20.840 -0.379 1.00 0.00 O ATOM 325 CB VAL A 21 0.321 -20.976 2.020 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.738 -22.401 1.691 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.055 -20.842 3.488 1.00 0.00 C ATOM 0 H VAL A 21 0.297 -18.594 2.732 1.00 0.00 H new ATOM 0 HA VAL A 21 2.368 -20.278 2.141 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.559 -20.738 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.067 -23.086 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.945 -22.482 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.635 -22.657 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.846 -21.552 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.818 -21.049 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.406 -19.829 3.683 1.00 0.00 H new ATOM 337 N ASP A 22 0.988 -19.091 -0.565 1.00 0.00 N ATOM 338 CA ASP A 22 1.117 -19.017 -2.017 1.00 0.00 C ATOM 339 C ASP A 22 0.847 -17.607 -2.531 1.00 0.00 C ATOM 340 O ASP A 22 0.419 -16.733 -1.778 1.00 0.00 O ATOM 341 CB ASP A 22 0.178 -20.017 -2.695 1.00 0.00 C ATOM 342 CG ASP A 22 -1.232 -19.950 -2.150 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.418 -20.262 -0.957 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.150 -19.587 -2.916 1.00 0.00 O ATOM 0 H ASP A 22 0.366 -18.393 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 22 2.146 -19.275 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.159 -19.823 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.568 -21.026 -2.560 1.00 0.00 H new ATOM 349 N ALA A 23 1.106 -17.393 -3.817 1.00 0.00 N ATOM 350 CA ALA A 23 0.898 -16.088 -4.430 1.00 0.00 C ATOM 351 C ALA A 23 -0.551 -15.644 -4.297 1.00 0.00 C ATOM 352 O ALA A 23 -0.829 -14.484 -3.998 1.00 0.00 O ATOM 353 CB ALA A 23 1.320 -16.116 -5.891 1.00 0.00 C ATOM 0 H ALA A 23 1.460 -18.107 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 23 1.518 -15.363 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.159 -15.134 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.376 -16.376 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.728 -16.858 -6.427 1.00 0.00 H new ATOM 359 N ALA A 24 -1.472 -16.575 -4.506 1.00 0.00 N ATOM 360 CA ALA A 24 -2.889 -16.267 -4.392 1.00 0.00 C ATOM 361 C ALA A 24 -3.216 -15.864 -2.965 1.00 0.00 C ATOM 362 O ALA A 24 -3.726 -14.771 -2.723 1.00 0.00 O ATOM 363 CB ALA A 24 -3.739 -17.451 -4.830 1.00 0.00 C ATOM 0 H ALA A 24 -1.265 -17.543 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.120 -15.432 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.795 -17.196 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.516 -17.694 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.516 -18.312 -4.200 1.00 0.00 H new ATOM 369 N THR A 25 -2.887 -16.734 -2.010 1.00 0.00 N ATOM 370 CA THR A 25 -3.120 -16.430 -0.610 1.00 0.00 C ATOM 371 C THR A 25 -2.516 -15.071 -0.287 1.00 0.00 C ATOM 372 O THR A 25 -3.152 -14.233 0.351 1.00 0.00 O ATOM 373 CB THR A 25 -2.525 -17.517 0.286 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.178 -17.788 -0.060 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.294 -18.820 0.229 1.00 0.00 C ATOM 0 H THR A 25 -2.463 -17.645 -2.184 1.00 0.00 H new ATOM 0 HA THR A 25 -4.193 -16.399 -0.421 1.00 0.00 H new ATOM 0 HB THR A 25 -2.588 -17.119 1.299 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.957 -17.330 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.822 -19.550 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.321 -18.651 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.294 -19.198 -0.793 1.00 0.00 H new ATOM 383 N ALA A 26 -1.296 -14.845 -0.770 1.00 0.00 N ATOM 384 CA ALA A 26 -0.628 -13.572 -0.565 1.00 0.00 C ATOM 385 C ALA A 26 -1.454 -12.461 -1.195 1.00 0.00 C ATOM 386 O ALA A 26 -1.775 -11.466 -0.546 1.00 0.00 O ATOM 387 CB ALA A 26 0.775 -13.601 -1.155 1.00 0.00 C ATOM 0 H ALA A 26 -0.756 -15.527 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.536 -13.385 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.259 -12.638 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.357 -14.386 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.716 -13.800 -2.225 1.00 0.00 H new ATOM 393 N GLU A 27 -1.815 -12.651 -2.464 1.00 0.00 N ATOM 394 CA GLU A 27 -2.626 -11.679 -3.182 1.00 0.00 C ATOM 395 C GLU A 27 -3.901 -11.386 -2.407 1.00 0.00 C ATOM 396 O GLU A 27 -4.286 -10.229 -2.244 1.00 0.00 O ATOM 397 CB GLU A 27 -2.960 -12.206 -4.581 1.00 0.00 C ATOM 398 CG GLU A 27 -3.733 -11.225 -5.456 1.00 0.00 C ATOM 399 CD GLU A 27 -5.237 -11.297 -5.257 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.713 -10.973 -4.150 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.939 -11.679 -6.216 1.00 0.00 O ATOM 0 H GLU A 27 -1.556 -13.471 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.061 -10.752 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.032 -12.472 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.542 -13.122 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.393 -10.212 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.502 -11.423 -6.503 1.00 0.00 H new ATOM 408 N LYS A 28 -4.546 -12.446 -1.922 1.00 0.00 N ATOM 409 CA LYS A 28 -5.777 -12.311 -1.154 1.00 0.00 C ATOM 410 C LYS A 28 -5.517 -11.581 0.156 1.00 0.00 C ATOM 411 O LYS A 28 -6.252 -10.662 0.522 1.00 0.00 O ATOM 412 CB LYS A 28 -6.385 -13.685 -0.874 1.00 0.00 C ATOM 413 CG LYS A 28 -6.807 -14.426 -2.131 1.00 0.00 C ATOM 414 CD LYS A 28 -7.793 -13.610 -2.948 1.00 0.00 C ATOM 415 CE LYS A 28 -8.221 -14.348 -4.206 1.00 0.00 C ATOM 416 NZ LYS A 28 -7.061 -14.663 -5.087 1.00 0.00 N ATOM 0 H LYS A 28 -4.233 -13.409 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.483 -11.726 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.660 -14.291 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.252 -13.565 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.928 -14.650 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.259 -15.380 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.670 -13.384 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.340 -12.657 -3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.729 -15.272 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.940 -13.741 -4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.405 -14.946 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.456 -13.822 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.511 -15.441 -4.671 1.00 0.00 H new ATOM 430 N VAL A 29 -4.460 -11.983 0.853 1.00 0.00 N ATOM 431 CA VAL A 29 -4.102 -11.350 2.114 1.00 0.00 C ATOM 432 C VAL A 29 -3.892 -9.859 1.906 1.00 0.00 C ATOM 433 O VAL A 29 -4.307 -9.041 2.726 1.00 0.00 O ATOM 434 CB VAL A 29 -2.829 -11.975 2.723 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.455 -11.283 4.026 1.00 0.00 C ATOM 436 CG2 VAL A 29 -3.018 -13.468 2.942 1.00 0.00 C ATOM 0 H VAL A 29 -3.840 -12.741 0.567 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.924 -11.512 2.811 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.010 -11.833 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.555 -11.741 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.270 -10.226 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.272 -11.386 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.110 -13.891 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.853 -13.633 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.227 -13.952 1.988 1.00 0.00 H new ATOM 446 N VAL A 30 -3.265 -9.512 0.788 1.00 0.00 N ATOM 447 CA VAL A 30 -3.027 -8.116 0.464 1.00 0.00 C ATOM 448 C VAL A 30 -4.360 -7.388 0.323 1.00 0.00 C ATOM 449 O VAL A 30 -4.529 -6.282 0.830 1.00 0.00 O ATOM 450 CB VAL A 30 -2.219 -7.961 -0.837 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.853 -6.501 -1.061 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.972 -8.833 -0.803 1.00 0.00 C ATOM 0 H VAL A 30 -2.915 -10.175 0.097 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.444 -7.681 1.276 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.838 -8.292 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.282 -6.407 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.763 -5.905 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.252 -6.144 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.415 -8.708 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.345 -8.538 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.262 -9.878 -0.691 1.00 0.00 H new ATOM 462 N LYS A 31 -5.318 -8.021 -0.364 1.00 0.00 N ATOM 463 CA LYS A 31 -6.637 -7.422 -0.552 1.00 0.00 C ATOM 464 C LYS A 31 -7.179 -6.930 0.779 1.00 0.00 C ATOM 465 O LYS A 31 -7.625 -5.792 0.902 1.00 0.00 O ATOM 466 CB LYS A 31 -7.624 -8.421 -1.164 1.00 0.00 C ATOM 467 CG LYS A 31 -7.083 -9.151 -2.379 1.00 0.00 C ATOM 468 CD LYS A 31 -6.494 -8.194 -3.402 1.00 0.00 C ATOM 469 CE LYS A 31 -7.573 -7.471 -4.198 1.00 0.00 C ATOM 470 NZ LYS A 31 -8.369 -6.538 -3.354 1.00 0.00 N ATOM 0 H LYS A 31 -5.203 -8.939 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.526 -6.584 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.902 -9.153 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.534 -7.892 -1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.318 -9.861 -2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.884 -9.728 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.867 -7.462 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.849 -8.746 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.109 -6.915 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.239 -8.205 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.341 -6.896 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.936 -6.468 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.386 -5.597 -3.798 1.00 0.00 H new ATOM 484 N GLN A 32 -7.116 -7.801 1.778 1.00 0.00 N ATOM 485 CA GLN A 32 -7.579 -7.457 3.112 1.00 0.00 C ATOM 486 C GLN A 32 -6.833 -6.224 3.614 1.00 0.00 C ATOM 487 O GLN A 32 -7.403 -5.369 4.290 1.00 0.00 O ATOM 488 CB GLN A 32 -7.405 -8.658 4.058 1.00 0.00 C ATOM 489 CG GLN A 32 -7.451 -8.312 5.543 1.00 0.00 C ATOM 490 CD GLN A 32 -6.159 -7.702 6.086 1.00 0.00 C ATOM 491 OE1 GLN A 32 -6.118 -7.260 7.234 1.00 0.00 O ATOM 492 NE2 GLN A 32 -5.093 -7.683 5.284 1.00 0.00 N ATOM 0 H GLN A 32 -6.749 -8.749 1.688 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.641 -7.215 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.186 -9.387 3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.452 -9.139 3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.270 -7.614 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.678 -9.216 6.108 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.160 -8.057 4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.211 -7.294 5.617 1.00 0.00 H new ATOM 501 N PHE A 33 -5.553 -6.138 3.260 1.00 0.00 N ATOM 502 CA PHE A 33 -4.718 -5.010 3.656 1.00 0.00 C ATOM 503 C PHE A 33 -5.367 -3.697 3.216 1.00 0.00 C ATOM 504 O PHE A 33 -5.770 -2.878 4.042 1.00 0.00 O ATOM 505 CB PHE A 33 -3.327 -5.160 3.027 1.00 0.00 C ATOM 506 CG PHE A 33 -2.304 -4.217 3.583 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.863 -4.350 4.888 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.788 -3.193 2.802 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.928 -3.476 5.405 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.850 -2.320 3.316 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.422 -2.463 4.621 1.00 0.00 C ATOM 0 H PHE A 33 -5.071 -6.839 2.698 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.617 -4.996 4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.981 -6.183 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.406 -5.001 1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.254 -5.144 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.123 -3.078 1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.593 -3.587 6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.452 -1.528 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.310 -1.780 5.027 1.00 0.00 H new ATOM 521 N PHE A 34 -5.470 -3.522 1.905 1.00 0.00 N ATOM 522 CA PHE A 34 -6.078 -2.325 1.331 1.00 0.00 C ATOM 523 C PHE A 34 -7.563 -2.273 1.653 1.00 0.00 C ATOM 524 O PHE A 34 -8.109 -1.213 1.957 1.00 0.00 O ATOM 525 CB PHE A 34 -5.825 -2.288 -0.171 1.00 0.00 C ATOM 526 CG PHE A 34 -4.360 -2.286 -0.477 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.509 -1.442 0.217 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.828 -3.140 -1.425 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.153 -1.450 -0.029 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.471 -3.148 -1.680 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.635 -2.302 -0.977 1.00 0.00 C ATOM 0 H PHE A 34 -5.139 -4.196 1.215 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.620 -1.440 1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.296 -3.151 -0.642 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.289 -1.399 -0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.913 -0.770 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.479 -3.807 -1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.499 -0.789 0.521 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.064 -3.814 -2.427 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.573 -2.309 -1.172 1.00 0.00 H new ATOM 541 N ASN A 35 -8.210 -3.428 1.612 1.00 0.00 N ATOM 542 CA ASN A 35 -9.627 -3.522 1.930 1.00 0.00 C ATOM 543 C ASN A 35 -9.902 -2.851 3.272 1.00 0.00 C ATOM 544 O ASN A 35 -10.922 -2.193 3.464 1.00 0.00 O ATOM 545 CB ASN A 35 -10.035 -4.991 2.001 1.00 0.00 C ATOM 546 CG ASN A 35 -11.506 -5.177 2.288 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.045 -4.612 3.240 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.156 -5.990 1.474 1.00 0.00 N ATOM 0 H ASN A 35 -7.775 -4.316 1.361 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.204 -3.020 1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.789 -5.478 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.453 -5.488 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.149 -6.173 1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.665 -6.435 0.698 1.00 0.00 H new ATOM 555 N ASP A 36 -8.962 -3.038 4.190 1.00 0.00 N ATOM 556 CA ASP A 36 -9.062 -2.470 5.533 1.00 0.00 C ATOM 557 C ASP A 36 -8.344 -1.123 5.644 1.00 0.00 C ATOM 558 O ASP A 36 -8.660 -0.326 6.526 1.00 0.00 O ATOM 559 CB ASP A 36 -8.497 -3.447 6.565 1.00 0.00 C ATOM 560 CG ASP A 36 -9.309 -4.725 6.657 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.456 -5.413 5.625 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.799 -5.038 7.762 1.00 0.00 O ATOM 0 H ASP A 36 -8.115 -3.583 4.029 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.120 -2.298 5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.468 -3.692 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.472 -2.965 7.542 1.00 0.00 H new ATOM 567 N ASN A 37 -7.386 -0.859 4.755 1.00 0.00 N ATOM 568 CA ASN A 37 -6.660 0.411 4.793 1.00 0.00 C ATOM 569 C ASN A 37 -7.442 1.496 4.066 1.00 0.00 C ATOM 570 O ASN A 37 -7.595 2.608 4.569 1.00 0.00 O ATOM 571 CB ASN A 37 -5.271 0.278 4.156 1.00 0.00 C ATOM 572 CG ASN A 37 -4.369 -0.690 4.893 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.317 -0.695 6.123 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.621 -1.495 4.142 1.00 0.00 N ATOM 0 H ASN A 37 -7.098 -1.495 4.012 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.541 0.687 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.382 -0.053 3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.796 1.258 4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.974 -2.148 4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.695 -1.459 3.125 1.00 0.00 H new ATOM 581 N GLY A 38 -7.923 1.145 2.873 1.00 0.00 N ATOM 582 CA GLY A 38 -8.690 2.048 2.027 1.00 0.00 C ATOM 583 C GLY A 38 -9.149 3.338 2.689 1.00 0.00 C ATOM 584 O GLY A 38 -8.345 4.230 2.961 1.00 0.00 O ATOM 0 H GLY A 38 -7.788 0.219 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.086 2.303 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.568 1.516 1.661 1.00 0.00 H new ATOM 588 N VAL A 39 -10.459 3.459 2.878 1.00 0.00 N ATOM 589 CA VAL A 39 -11.047 4.673 3.434 1.00 0.00 C ATOM 590 C VAL A 39 -11.569 4.513 4.862 1.00 0.00 C ATOM 591 O VAL A 39 -12.149 5.452 5.408 1.00 0.00 O ATOM 592 CB VAL A 39 -12.225 5.124 2.562 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.757 6.477 3.015 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.826 5.161 1.095 1.00 0.00 C ATOM 0 H VAL A 39 -11.135 2.729 2.654 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.241 5.406 3.452 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.027 4.395 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.592 6.771 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.096 6.407 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.965 7.222 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.677 5.483 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.001 5.860 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.514 4.166 0.778 1.00 0.00 H new ATOM 604 N ASP A 40 -11.379 3.355 5.480 1.00 0.00 N ATOM 605 CA ASP A 40 -11.862 3.156 6.846 1.00 0.00 C ATOM 606 C ASP A 40 -10.746 2.691 7.785 1.00 0.00 C ATOM 607 O ASP A 40 -11.013 2.275 8.912 1.00 0.00 O ATOM 608 CB ASP A 40 -13.004 2.137 6.858 1.00 0.00 C ATOM 609 CG ASP A 40 -14.186 2.582 6.019 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.004 2.784 4.800 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.291 2.725 6.579 1.00 0.00 O ATOM 0 H ASP A 40 -10.904 2.551 5.070 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.224 4.119 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.637 1.180 6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.332 1.975 7.885 1.00 0.00 H new ATOM 616 N GLY A 41 -9.501 2.749 7.319 1.00 0.00 N ATOM 617 CA GLY A 41 -8.382 2.313 8.141 1.00 0.00 C ATOM 618 C GLY A 41 -7.921 3.364 9.137 1.00 0.00 C ATOM 619 O GLY A 41 -8.376 4.507 9.103 1.00 0.00 O ATOM 0 H GLY A 41 -9.246 3.088 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.668 1.411 8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.547 2.046 7.493 1.00 0.00 H new ATOM 623 N GLU A 42 -7.006 2.969 10.025 1.00 0.00 N ATOM 624 CA GLU A 42 -6.467 3.873 11.037 1.00 0.00 C ATOM 625 C GLU A 42 -5.064 4.330 10.648 1.00 0.00 C ATOM 626 O GLU A 42 -4.117 3.536 10.645 1.00 0.00 O ATOM 627 CB GLU A 42 -6.432 3.184 12.403 1.00 0.00 C ATOM 628 CG GLU A 42 -7.800 2.734 12.895 1.00 0.00 C ATOM 629 CD GLU A 42 -8.757 3.890 13.111 1.00 0.00 C ATOM 630 OE1 GLU A 42 -8.347 5.051 12.901 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.918 3.635 13.495 1.00 0.00 O ATOM 0 H GLU A 42 -6.623 2.024 10.061 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.117 4.746 11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.773 2.318 12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.999 3.867 13.134 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.231 2.042 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.683 2.186 13.830 1.00 0.00 H new ATOM 638 N TRP A 43 -4.940 5.605 10.290 1.00 0.00 N ATOM 639 CA TRP A 43 -3.662 6.158 9.864 1.00 0.00 C ATOM 640 C TRP A 43 -3.029 7.049 10.927 1.00 0.00 C ATOM 641 O TRP A 43 -3.626 8.036 11.358 1.00 0.00 O ATOM 642 CB TRP A 43 -3.849 6.984 8.592 1.00 0.00 C ATOM 643 CG TRP A 43 -4.464 6.235 7.451 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.468 5.309 7.507 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.116 6.366 6.072 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.761 4.857 6.244 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.943 5.490 5.347 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.182 7.139 5.379 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.865 5.369 3.965 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.103 7.018 4.008 1.00 0.00 C ATOM 651 CH2 TRP A 43 -3.942 6.139 3.311 1.00 0.00 C ATOM 0 H TRP A 43 -5.711 6.273 10.287 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.998 5.312 9.685 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.474 7.847 8.823 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.879 7.368 8.277 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.959 4.981 8.412 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.472 4.163 6.012 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.532 7.820 5.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.510 4.691 3.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.383 7.610 3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.859 6.068 2.237 1.00 0.00 H new ATOM 662 N THR A 44 -1.803 6.717 11.316 1.00 0.00 N ATOM 663 CA THR A 44 -1.068 7.510 12.293 1.00 0.00 C ATOM 664 C THR A 44 0.068 8.248 11.590 1.00 0.00 C ATOM 665 O THR A 44 0.723 7.691 10.708 1.00 0.00 O ATOM 666 CB THR A 44 -0.523 6.621 13.413 1.00 0.00 C ATOM 667 OG1 THR A 44 0.285 5.587 12.884 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.608 5.976 14.246 1.00 0.00 C ATOM 0 H THR A 44 -1.297 5.902 10.969 1.00 0.00 H new ATOM 0 HA THR A 44 -1.743 8.237 12.745 1.00 0.00 H new ATOM 0 HB THR A 44 0.057 7.286 14.053 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.845 5.945 12.164 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.153 5.360 15.021 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.219 6.750 14.710 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.234 5.353 13.608 1.00 0.00 H new ATOM 676 N TYR A 45 0.286 9.509 11.955 1.00 0.00 N ATOM 677 CA TYR A 45 1.329 10.310 11.320 1.00 0.00 C ATOM 678 C TYR A 45 2.493 10.597 12.266 1.00 0.00 C ATOM 679 O TYR A 45 2.302 10.800 13.465 1.00 0.00 O ATOM 680 CB TYR A 45 0.738 11.627 10.811 1.00 0.00 C ATOM 681 CG TYR A 45 1.738 12.512 10.102 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.584 11.996 9.128 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.834 13.864 10.405 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.497 12.803 8.476 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.745 14.677 9.759 1.00 0.00 C ATOM 686 CZ TYR A 45 3.574 14.143 8.796 1.00 0.00 C ATOM 687 OH TYR A 45 4.482 14.950 8.150 1.00 0.00 O ATOM 0 H TYR A 45 -0.241 9.995 12.681 1.00 0.00 H new ATOM 0 HA TYR A 45 1.721 9.731 10.484 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.084 11.406 10.130 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.316 12.175 11.654 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.527 10.947 8.876 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.186 14.287 11.158 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.147 12.387 7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.807 15.726 10.007 1.00 0.00 H new ATOM 0 HH TYR A 45 4.407 15.866 8.491 1.00 0.00 H new ATOM 697 N ASP A 46 3.700 10.623 11.704 1.00 0.00 N ATOM 698 CA ASP A 46 4.908 10.897 12.474 1.00 0.00 C ATOM 699 C ASP A 46 5.654 12.093 11.885 1.00 0.00 C ATOM 700 O ASP A 46 6.602 11.931 11.117 1.00 0.00 O ATOM 701 CB ASP A 46 5.819 9.665 12.492 1.00 0.00 C ATOM 702 CG ASP A 46 7.083 9.892 13.298 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.971 10.179 14.509 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.183 9.781 12.720 1.00 0.00 O ATOM 0 H ASP A 46 3.866 10.456 10.711 1.00 0.00 H new ATOM 0 HA ASP A 46 4.619 11.134 13.498 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.273 8.819 12.909 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.086 9.399 11.469 1.00 0.00 H new ATOM 709 N ASP A 47 5.207 13.294 12.242 1.00 0.00 N ATOM 710 CA ASP A 47 5.814 14.527 11.744 1.00 0.00 C ATOM 711 C ASP A 47 7.336 14.500 11.865 1.00 0.00 C ATOM 712 O ASP A 47 8.044 15.031 11.008 1.00 0.00 O ATOM 713 CB ASP A 47 5.256 15.731 12.505 1.00 0.00 C ATOM 714 CG ASP A 47 3.754 15.864 12.358 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.033 14.922 12.747 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.297 16.911 11.853 1.00 0.00 O ATOM 0 H ASP A 47 4.423 13.441 12.877 1.00 0.00 H new ATOM 0 HA ASP A 47 5.564 14.612 10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.508 15.638 13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.735 16.640 12.142 1.00 0.00 H new ATOM 721 N ALA A 48 7.835 13.899 12.940 1.00 0.00 N ATOM 722 CA ALA A 48 9.274 13.827 13.181 1.00 0.00 C ATOM 723 C ALA A 48 10.033 13.329 11.954 1.00 0.00 C ATOM 724 O ALA A 48 11.175 13.722 11.721 1.00 0.00 O ATOM 725 CB ALA A 48 9.558 12.932 14.377 1.00 0.00 C ATOM 0 H ALA A 48 7.265 13.454 13.659 1.00 0.00 H new ATOM 0 HA ALA A 48 9.625 14.837 13.394 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.633 12.885 14.549 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.067 13.339 15.261 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.178 11.930 14.180 1.00 0.00 H new ATOM 731 N THR A 49 9.399 12.464 11.171 1.00 0.00 N ATOM 732 CA THR A 49 10.028 11.924 9.970 1.00 0.00 C ATOM 733 C THR A 49 9.133 12.090 8.744 1.00 0.00 C ATOM 734 O THR A 49 9.364 11.457 7.712 1.00 0.00 O ATOM 735 CB THR A 49 10.363 10.445 10.168 1.00 0.00 C ATOM 736 OG1 THR A 49 9.192 9.699 10.446 1.00 0.00 O ATOM 737 CG2 THR A 49 11.344 10.198 11.292 1.00 0.00 C ATOM 0 H THR A 49 8.454 12.122 11.344 1.00 0.00 H new ATOM 0 HA THR A 49 10.946 12.486 9.798 1.00 0.00 H new ATOM 0 HB THR A 49 10.822 10.125 9.232 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.122 9.547 11.412 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.537 9.129 11.378 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.277 10.720 11.081 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.925 10.567 12.228 1.00 0.00 H new ATOM 745 N LYS A 50 8.108 12.934 8.857 1.00 0.00 N ATOM 746 CA LYS A 50 7.182 13.159 7.748 1.00 0.00 C ATOM 747 C LYS A 50 6.720 11.829 7.161 1.00 0.00 C ATOM 748 O LYS A 50 6.521 11.705 5.951 1.00 0.00 O ATOM 749 CB LYS A 50 7.841 14.004 6.662 1.00 0.00 C ATOM 750 CG LYS A 50 8.204 15.404 7.122 1.00 0.00 C ATOM 751 CD LYS A 50 7.800 16.444 6.093 1.00 0.00 C ATOM 752 CE LYS A 50 8.496 16.213 4.761 1.00 0.00 C ATOM 753 NZ LYS A 50 9.979 16.285 4.886 1.00 0.00 N ATOM 0 H LYS A 50 7.899 13.470 9.699 1.00 0.00 H new ATOM 0 HA LYS A 50 6.315 13.696 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.743 13.498 6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.167 14.074 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.711 15.617 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.278 15.464 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.720 16.415 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.045 17.439 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.212 15.237 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.156 16.957 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.407 16.309 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.242 17.146 5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.325 15.450 5.401 1.00 0.00 H new ATOM 767 N THR A 51 6.571 10.832 8.027 1.00 0.00 N ATOM 768 CA THR A 51 6.154 9.503 7.600 1.00 0.00 C ATOM 769 C THR A 51 4.821 9.104 8.228 1.00 0.00 C ATOM 770 O THR A 51 4.570 9.370 9.402 1.00 0.00 O ATOM 771 CB THR A 51 7.229 8.479 7.967 1.00 0.00 C ATOM 772 OG1 THR A 51 8.459 8.798 7.341 1.00 0.00 O ATOM 773 CG2 THR A 51 6.870 7.062 7.577 1.00 0.00 C ATOM 0 H THR A 51 6.733 10.920 9.030 1.00 0.00 H new ATOM 0 HA THR A 51 6.021 9.524 6.518 1.00 0.00 H new ATOM 0 HB THR A 51 7.312 8.527 9.053 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.726 9.708 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.677 6.389 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.951 6.767 8.084 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.722 7.008 6.498 1.00 0.00 H new ATOM 781 N PHE A 52 3.979 8.453 7.432 1.00 0.00 N ATOM 782 CA PHE A 52 2.674 7.998 7.898 1.00 0.00 C ATOM 783 C PHE A 52 2.667 6.480 8.042 1.00 0.00 C ATOM 784 O PHE A 52 3.232 5.775 7.212 1.00 0.00 O ATOM 785 CB PHE A 52 1.577 8.419 6.915 1.00 0.00 C ATOM 786 CG PHE A 52 1.544 9.893 6.624 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.610 10.514 5.995 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.440 10.656 6.970 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.577 11.868 5.719 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.402 12.009 6.696 1.00 0.00 C ATOM 791 CZ PHE A 52 1.472 12.615 6.070 1.00 0.00 C ATOM 0 H PHE A 52 4.178 8.228 6.457 1.00 0.00 H new ATOM 0 HA PHE A 52 2.479 8.455 8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.716 7.878 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.610 8.117 7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.477 9.934 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.401 10.187 7.460 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.416 12.340 5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.464 12.592 6.971 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.444 13.673 5.855 1.00 0.00 H new ATOM 801 N THR A 53 2.020 5.975 9.084 1.00 0.00 N ATOM 802 CA THR A 53 1.945 4.534 9.299 1.00 0.00 C ATOM 803 C THR A 53 0.504 4.041 9.252 1.00 0.00 C ATOM 804 O THR A 53 -0.348 4.495 10.014 1.00 0.00 O ATOM 805 CB THR A 53 2.597 4.138 10.627 1.00 0.00 C ATOM 806 OG1 THR A 53 2.292 5.079 11.639 1.00 0.00 O ATOM 807 CG2 THR A 53 4.103 4.008 10.544 1.00 0.00 C ATOM 0 H THR A 53 1.542 6.536 9.789 1.00 0.00 H new ATOM 0 HA THR A 53 2.496 4.057 8.489 1.00 0.00 H new ATOM 0 HB THR A 53 2.184 3.159 10.869 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.687 4.671 12.293 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.498 3.725 11.520 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.362 3.243 9.812 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.534 4.962 10.240 1.00 0.00 H new ATOM 815 N VAL A 54 0.251 3.097 8.354 1.00 0.00 N ATOM 816 CA VAL A 54 -1.076 2.516 8.201 1.00 0.00 C ATOM 817 C VAL A 54 -1.117 1.140 8.852 1.00 0.00 C ATOM 818 O VAL A 54 -0.537 0.184 8.339 1.00 0.00 O ATOM 819 CB VAL A 54 -1.474 2.399 6.713 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.876 1.824 6.573 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.376 3.755 6.029 1.00 0.00 C ATOM 0 H VAL A 54 0.952 2.716 7.718 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.790 3.178 8.692 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.779 1.716 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.135 1.751 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.909 0.833 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.589 2.477 7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.660 3.655 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.046 4.460 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.352 4.122 6.094 1.00 0.00 H new ATOM 831 N THR A 55 -1.791 1.047 9.994 1.00 0.00 N ATOM 832 CA THR A 55 -1.881 -0.217 10.714 1.00 0.00 C ATOM 833 C THR A 55 -3.235 -0.880 10.506 1.00 0.00 C ATOM 834 O THR A 55 -4.268 -0.326 10.880 1.00 0.00 O ATOM 835 CB THR A 55 -1.626 0.000 12.205 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.427 0.725 12.408 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.510 -1.294 12.979 1.00 0.00 C ATOM 0 H THR A 55 -2.279 1.825 10.437 1.00 0.00 H new ATOM 0 HA THR A 55 -1.115 -0.882 10.314 1.00 0.00 H new ATOM 0 HB THR A 55 -2.490 0.554 12.571 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.282 0.855 13.368 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.329 -1.074 14.031 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.436 -1.861 12.881 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.681 -1.881 12.584 1.00 0.00 H new ATOM 845 N GLU A 56 -3.228 -2.067 9.904 1.00 0.00 N ATOM 846 CA GLU A 56 -4.477 -2.784 9.655 1.00 0.00 C ATOM 847 C GLU A 56 -4.975 -3.464 10.927 1.00 0.00 C ATOM 848 O GLU A 56 -4.131 -3.816 11.778 1.00 0.00 O ATOM 849 CB GLU A 56 -4.310 -3.822 8.539 1.00 0.00 C ATOM 850 CG GLU A 56 -3.493 -5.041 8.934 1.00 0.00 C ATOM 851 CD GLU A 56 -3.433 -6.078 7.826 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.023 -5.838 6.752 1.00 0.00 O ATOM 853 OE2 GLU A 56 -2.795 -7.130 8.036 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.204 -3.638 11.061 1.00 0.00 O ATOM 0 H GLU A 56 -2.387 -2.547 9.584 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.217 -2.050 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.297 -4.151 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.836 -3.344 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.481 -4.729 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.925 -5.492 9.827 1.00 0.00 H new ATOM 862 N MET B 1 6.987 18.376 -2.346 1.00 0.00 N ATOM 863 CA MET B 1 7.456 17.597 -1.171 1.00 0.00 C ATOM 864 C MET B 1 7.046 16.131 -1.274 1.00 0.00 C ATOM 865 O MET B 1 5.928 15.813 -1.682 1.00 0.00 O ATOM 866 CB MET B 1 6.869 18.213 0.100 1.00 0.00 C ATOM 867 CG MET B 1 7.451 19.572 0.449 1.00 0.00 C ATOM 868 SD MET B 1 9.222 19.501 0.778 1.00 0.00 S ATOM 869 CE MET B 1 9.265 18.347 2.148 1.00 0.00 C ATOM 0 H1 MET B 1 7.408 19.327 -2.323 1.00 0.00 H new ATOM 0 H2 MET B 1 7.274 17.892 -3.221 1.00 0.00 H new ATOM 0 H3 MET B 1 5.950 18.456 -2.318 1.00 0.00 H new ATOM 0 HA MET B 1 8.545 17.635 -1.140 1.00 0.00 H new ATOM 0 HB2 MET B 1 5.790 18.310 -0.020 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.037 17.531 0.934 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.265 20.265 -0.372 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.938 19.969 1.325 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.238 18.398 2.636 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.485 18.604 2.865 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.097 17.336 1.777 1.00 0.00 H new ATOM 881 N GLN B 2 7.955 15.244 -0.883 1.00 0.00 N ATOM 882 CA GLN B 2 7.692 13.814 -0.910 1.00 0.00 C ATOM 883 C GLN B 2 7.483 13.295 0.508 1.00 0.00 C ATOM 884 O GLN B 2 8.137 13.751 1.445 1.00 0.00 O ATOM 885 CB GLN B 2 8.850 13.068 -1.577 1.00 0.00 C ATOM 886 CG GLN B 2 8.639 11.564 -1.657 1.00 0.00 C ATOM 887 CD GLN B 2 9.797 10.848 -2.324 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.935 10.920 -1.861 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.512 10.153 -3.418 1.00 0.00 N ATOM 0 H GLN B 2 8.883 15.494 -0.543 1.00 0.00 H new ATOM 0 HA GLN B 2 6.786 13.638 -1.490 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.992 13.461 -2.584 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.767 13.269 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.501 11.166 -0.652 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.722 11.358 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.554 10.121 -3.767 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.251 9.651 -3.910 1.00 0.00 H new ATOM 898 N TYR B 3 6.567 12.348 0.663 1.00 0.00 N ATOM 899 CA TYR B 3 6.281 11.784 1.977 1.00 0.00 C ATOM 900 C TYR B 3 6.500 10.276 1.996 1.00 0.00 C ATOM 901 O TYR B 3 6.256 9.588 1.003 1.00 0.00 O ATOM 902 CB TYR B 3 4.847 12.112 2.393 1.00 0.00 C ATOM 903 CG TYR B 3 4.601 13.592 2.582 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.295 14.409 1.502 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.678 14.172 3.842 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.073 15.763 1.671 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.457 15.525 4.019 1.00 0.00 C ATOM 908 CZ TYR B 3 4.156 16.316 2.932 1.00 0.00 C ATOM 909 OH TYR B 3 3.937 17.663 3.104 1.00 0.00 O ATOM 0 H TYR B 3 6.013 11.956 -0.098 1.00 0.00 H new ATOM 0 HA TYR B 3 6.973 12.233 2.690 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.161 11.731 1.637 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.618 11.591 3.323 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.229 13.980 0.513 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.914 13.556 4.697 1.00 0.00 H new ATOM 0 HE1 TYR B 3 3.836 16.385 0.820 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.520 15.960 5.005 1.00 0.00 H new ATOM 0 HH TYR B 3 4.391 18.162 2.393 1.00 0.00 H new ATOM 919 N LYS B 4 6.951 9.775 3.142 1.00 0.00 N ATOM 920 CA LYS B 4 7.202 8.350 3.319 1.00 0.00 C ATOM 921 C LYS B 4 6.001 7.682 3.980 1.00 0.00 C ATOM 922 O LYS B 4 5.794 7.815 5.185 1.00 0.00 O ATOM 923 CB LYS B 4 8.452 8.142 4.181 1.00 0.00 C ATOM 924 CG LYS B 4 8.764 6.683 4.481 1.00 0.00 C ATOM 925 CD LYS B 4 9.759 6.095 3.494 1.00 0.00 C ATOM 926 CE LYS B 4 9.225 6.126 2.074 1.00 0.00 C ATOM 927 NZ LYS B 4 10.156 5.466 1.116 1.00 0.00 N ATOM 0 H LYS B 4 7.151 10.340 3.967 1.00 0.00 H new ATOM 0 HA LYS B 4 7.363 7.898 2.340 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.308 8.589 3.675 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.324 8.676 5.123 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.164 6.599 5.491 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.842 6.103 4.454 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.694 6.653 3.544 1.00 0.00 H new ATOM 0 HD3 LYS B 4 9.986 5.067 3.775 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.256 5.628 2.040 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.063 7.160 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.599 6.186 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.893 4.956 1.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.627 4.794 0.524 1.00 0.00 H new ATOM 941 N VAL B 5 5.211 6.965 3.192 1.00 0.00 N ATOM 942 CA VAL B 5 4.035 6.285 3.716 1.00 0.00 C ATOM 943 C VAL B 5 4.349 4.831 4.058 1.00 0.00 C ATOM 944 O VAL B 5 4.634 4.019 3.181 1.00 0.00 O ATOM 945 CB VAL B 5 2.863 6.336 2.715 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.635 5.644 3.287 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.546 7.776 2.341 1.00 0.00 C ATOM 0 H VAL B 5 5.363 6.840 2.191 1.00 0.00 H new ATOM 0 HA VAL B 5 3.741 6.809 4.625 1.00 0.00 H new ATOM 0 HB VAL B 5 3.160 5.804 1.811 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.821 5.692 2.564 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.871 4.601 3.499 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.332 6.142 4.208 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.717 7.794 1.634 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.271 8.333 3.237 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.423 8.235 1.884 1.00 0.00 H new ATOM 957 N ILE B 6 4.289 4.514 5.342 1.00 0.00 N ATOM 958 CA ILE B 6 4.562 3.165 5.815 1.00 0.00 C ATOM 959 C ILE B 6 3.270 2.369 5.968 1.00 0.00 C ATOM 960 O ILE B 6 2.390 2.735 6.746 1.00 0.00 O ATOM 961 CB ILE B 6 5.317 3.187 7.161 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.683 3.851 6.985 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.477 1.778 7.716 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.475 3.956 8.270 1.00 0.00 C ATOM 0 H ILE B 6 4.052 5.177 6.080 1.00 0.00 H new ATOM 0 HA ILE B 6 5.191 2.681 5.068 1.00 0.00 H new ATOM 0 HB ILE B 6 4.733 3.767 7.876 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.262 3.284 6.256 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.542 4.850 6.572 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.012 1.819 8.665 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.494 1.335 7.873 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.040 1.170 7.008 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.432 4.437 8.069 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.916 4.548 8.994 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.648 2.958 8.673 1.00 0.00 H new ATOM 976 N LEU B 7 3.168 1.278 5.222 1.00 0.00 N ATOM 977 CA LEU B 7 1.989 0.423 5.273 1.00 0.00 C ATOM 978 C LEU B 7 2.269 -0.780 6.167 1.00 0.00 C ATOM 979 O LEU B 7 2.686 -1.835 5.694 1.00 0.00 O ATOM 980 CB LEU B 7 1.615 -0.028 3.860 1.00 0.00 C ATOM 981 CG LEU B 7 1.756 1.052 2.789 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.280 0.534 1.442 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.990 2.304 3.191 1.00 0.00 C ATOM 0 H LEU B 7 3.889 0.963 4.573 1.00 0.00 H new ATOM 0 HA LEU B 7 1.150 0.980 5.690 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.242 -0.877 3.586 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.584 -0.382 3.867 1.00 0.00 H new ATOM 0 HG LEU B 7 2.810 1.313 2.697 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.388 1.318 0.692 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.878 -0.330 1.153 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.232 0.243 1.514 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.101 3.063 2.417 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.066 2.061 3.312 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.385 2.686 4.133 1.00 0.00 H new ATOM 995 N ASN B 8 2.074 -0.593 7.469 1.00 0.00 N ATOM 996 CA ASN B 8 2.345 -1.643 8.447 1.00 0.00 C ATOM 997 C ASN B 8 1.102 -2.464 8.777 1.00 0.00 C ATOM 998 O ASN B 8 0.178 -1.986 9.437 1.00 0.00 O ATOM 999 CB ASN B 8 2.900 -1.010 9.725 1.00 0.00 C ATOM 1000 CG ASN B 8 3.416 -2.034 10.714 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.709 -2.971 11.085 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.653 -1.845 11.159 1.00 0.00 N ATOM 0 H ASN B 8 1.729 0.278 7.872 1.00 0.00 H new ATOM 0 HA ASN B 8 3.075 -2.324 8.010 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.707 -0.325 9.464 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.119 -0.416 10.199 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.055 -2.492 11.838 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.201 -1.053 10.822 1.00 0.00 H new ATOM 1009 N GLY B 9 1.081 -3.709 8.316 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.052 -4.567 8.585 1.00 0.00 C ATOM 1011 C GLY B 9 0.322 -5.783 9.402 1.00 0.00 C ATOM 1012 O GLY B 9 1.431 -5.876 9.929 1.00 0.00 O ATOM 0 H GLY B 9 1.825 -4.136 7.764 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.816 -3.998 9.115 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.492 -4.889 7.641 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.609 -6.719 9.500 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.394 -7.943 10.250 1.00 0.00 C ATOM 1018 C LYS B 10 0.356 -8.961 9.396 1.00 0.00 C ATOM 1019 O LYS B 10 1.438 -9.421 9.761 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.742 -8.514 10.690 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.597 -7.514 11.453 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.001 -8.048 11.696 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.973 -9.342 12.487 1.00 0.00 C ATOM 1024 NZ LYS B 10 -5.343 -9.862 12.754 1.00 0.00 N ATOM 0 H LYS B 10 -1.529 -6.651 9.064 1.00 0.00 H new ATOM 0 HA LYS B 10 0.208 -7.722 11.132 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.289 -8.854 9.811 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.571 -9.389 11.317 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.124 -7.284 12.408 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.654 -6.581 10.893 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.587 -7.303 12.235 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.499 -8.215 10.741 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -3.402 -10.090 11.938 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.457 -9.178 13.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -5.279 -10.747 13.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -5.881 -9.159 13.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -5.827 -10.044 11.852 1.00 0.00 H new ATOM 1038 N THR B 11 -0.230 -9.296 8.251 1.00 0.00 N ATOM 1039 CA THR B 11 0.359 -10.244 7.323 1.00 0.00 C ATOM 1040 C THR B 11 1.042 -9.516 6.174 1.00 0.00 C ATOM 1041 O THR B 11 1.606 -10.143 5.277 1.00 0.00 O ATOM 1042 CB THR B 11 -0.727 -11.162 6.774 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.909 -10.428 6.508 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.087 -12.302 7.701 1.00 0.00 C ATOM 0 H THR B 11 -1.126 -8.916 7.944 1.00 0.00 H new ATOM 0 HA THR B 11 1.106 -10.834 7.854 1.00 0.00 H new ATOM 0 HB THR B 11 -0.309 -11.588 5.862 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.690 -10.957 6.775 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.866 -12.912 7.243 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.205 -12.916 7.882 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.450 -11.901 8.647 1.00 0.00 H new ATOM 1052 N LEU B 12 0.980 -8.190 6.200 1.00 0.00 N ATOM 1053 CA LEU B 12 1.585 -7.383 5.159 1.00 0.00 C ATOM 1054 C LEU B 12 2.333 -6.195 5.750 1.00 0.00 C ATOM 1055 O LEU B 12 1.841 -5.523 6.656 1.00 0.00 O ATOM 1056 CB LEU B 12 0.509 -6.910 4.178 1.00 0.00 C ATOM 1057 CG LEU B 12 1.014 -6.039 3.040 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.210 -6.698 2.383 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.092 -5.793 2.026 1.00 0.00 C ATOM 0 H LEU B 12 0.515 -7.655 6.933 1.00 0.00 H new ATOM 0 HA LEU B 12 2.310 -7.996 4.623 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.016 -7.785 3.754 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.247 -6.354 4.732 1.00 0.00 H new ATOM 0 HG LEU B 12 1.323 -5.074 3.441 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.569 -6.070 1.568 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.004 -6.827 3.118 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.918 -7.672 1.990 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.288 -5.167 1.218 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.431 -6.746 1.619 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.927 -5.289 2.513 1.00 0.00 H new ATOM 1071 N LYS B 13 3.526 -5.945 5.226 1.00 0.00 N ATOM 1072 CA LYS B 13 4.355 -4.838 5.688 1.00 0.00 C ATOM 1073 C LYS B 13 5.135 -4.241 4.524 1.00 0.00 C ATOM 1074 O LYS B 13 5.544 -4.960 3.616 1.00 0.00 O ATOM 1075 CB LYS B 13 5.321 -5.315 6.776 1.00 0.00 C ATOM 1076 CG LYS B 13 4.623 -5.911 7.987 1.00 0.00 C ATOM 1077 CD LYS B 13 5.623 -6.356 9.041 1.00 0.00 C ATOM 1078 CE LYS B 13 4.926 -6.952 10.254 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.077 -8.123 9.894 1.00 0.00 N ATOM 0 H LYS B 13 3.943 -6.497 4.477 1.00 0.00 H new ATOM 0 HA LYS B 13 3.705 -4.070 6.107 1.00 0.00 H new ATOM 0 HB2 LYS B 13 5.995 -6.060 6.352 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.936 -4.475 7.098 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.944 -5.175 8.416 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.016 -6.762 7.677 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.302 -7.093 8.612 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.230 -5.505 9.350 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.673 -7.258 10.987 1.00 0.00 H new ATOM 0 HE3 LYS B 13 4.308 -6.189 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.224 -8.884 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.076 -7.840 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.338 -8.463 8.946 1.00 0.00 H new ATOM 1093 N GLY B 14 5.342 -2.927 4.551 1.00 0.00 N ATOM 1094 CA GLY B 14 6.076 -2.290 3.475 1.00 0.00 C ATOM 1095 C GLY B 14 6.180 -0.788 3.623 1.00 0.00 C ATOM 1096 O GLY B 14 5.919 -0.238 4.692 1.00 0.00 O ATOM 0 H GLY B 14 5.019 -2.301 5.288 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.079 -2.713 3.430 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.590 -2.521 2.527 1.00 0.00 H new ATOM 1100 N GLU B 15 6.565 -0.127 2.536 1.00 0.00 N ATOM 1101 CA GLU B 15 6.710 1.321 2.529 1.00 0.00 C ATOM 1102 C GLU B 15 6.420 1.891 1.145 1.00 0.00 C ATOM 1103 O GLU B 15 6.775 1.296 0.127 1.00 0.00 O ATOM 1104 CB GLU B 15 8.120 1.716 2.969 1.00 0.00 C ATOM 1105 CG GLU B 15 8.473 1.243 4.371 1.00 0.00 C ATOM 1106 CD GLU B 15 9.875 1.645 4.786 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.158 2.861 4.821 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.689 0.744 5.077 1.00 0.00 O ATOM 0 H GLU B 15 6.783 -0.575 1.646 1.00 0.00 H new ATOM 0 HA GLU B 15 5.987 1.736 3.232 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.841 1.304 2.263 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.215 2.801 2.925 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.756 1.655 5.081 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.381 0.158 4.418 1.00 0.00 H new ATOM 1115 N THR B 16 5.774 3.047 1.124 1.00 0.00 N ATOM 1116 CA THR B 16 5.426 3.723 -0.120 1.00 0.00 C ATOM 1117 C THR B 16 5.654 5.229 0.000 1.00 0.00 C ATOM 1118 O THR B 16 5.899 5.736 1.094 1.00 0.00 O ATOM 1119 CB THR B 16 3.977 3.412 -0.510 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.486 4.382 -1.399 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.029 3.335 0.668 1.00 0.00 C ATOM 0 H THR B 16 5.477 3.543 1.964 1.00 0.00 H new ATOM 0 HA THR B 16 6.077 3.350 -0.911 1.00 0.00 H new ATOM 0 HB THR B 16 4.012 2.428 -0.977 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.560 4.167 -1.639 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.023 3.112 0.312 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.356 2.548 1.348 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.024 4.290 1.194 1.00 0.00 H new ATOM 1129 N THR B 17 5.596 5.945 -1.126 1.00 0.00 N ATOM 1130 CA THR B 17 5.826 7.388 -1.112 1.00 0.00 C ATOM 1131 C THR B 17 4.903 8.150 -2.064 1.00 0.00 C ATOM 1132 O THR B 17 4.870 7.889 -3.267 1.00 0.00 O ATOM 1133 CB THR B 17 7.278 7.693 -1.476 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.560 7.290 -2.804 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.274 7.013 -0.571 1.00 0.00 C ATOM 0 H THR B 17 5.394 5.554 -2.046 1.00 0.00 H new ATOM 0 HA THR B 17 5.605 7.725 -0.099 1.00 0.00 H new ATOM 0 HB THR B 17 7.383 8.772 -1.361 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.724 7.231 -3.312 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.286 7.271 -0.884 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.117 7.343 0.456 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.141 5.933 -0.630 1.00 0.00 H new ATOM 1143 N THR B 18 4.177 9.110 -1.502 1.00 0.00 N ATOM 1144 CA THR B 18 3.260 9.955 -2.267 1.00 0.00 C ATOM 1145 C THR B 18 3.796 11.387 -2.311 1.00 0.00 C ATOM 1146 O THR B 18 4.388 11.860 -1.341 1.00 0.00 O ATOM 1147 CB THR B 18 1.866 9.943 -1.630 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.943 10.641 -2.444 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.826 10.568 -0.250 1.00 0.00 C ATOM 0 H THR B 18 4.205 9.326 -0.506 1.00 0.00 H new ATOM 0 HA THR B 18 3.184 9.564 -3.282 1.00 0.00 H new ATOM 0 HB THR B 18 1.600 8.890 -1.537 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.193 10.537 -3.386 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.809 10.525 0.140 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.493 10.022 0.416 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.147 11.608 -0.312 1.00 0.00 H new ATOM 1157 N GLU B 19 3.588 12.072 -3.427 1.00 0.00 N ATOM 1158 CA GLU B 19 4.057 13.449 -3.575 1.00 0.00 C ATOM 1159 C GLU B 19 2.885 14.422 -3.491 1.00 0.00 C ATOM 1160 O GLU B 19 1.969 14.369 -4.311 1.00 0.00 O ATOM 1161 CB GLU B 19 4.786 13.621 -4.908 1.00 0.00 C ATOM 1162 CG GLU B 19 5.314 15.028 -5.139 1.00 0.00 C ATOM 1163 CD GLU B 19 6.032 15.175 -6.468 1.00 0.00 C ATOM 1164 OE1 GLU B 19 6.121 14.175 -7.211 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.507 16.292 -6.763 1.00 0.00 O ATOM 0 H GLU B 19 3.100 11.701 -4.242 1.00 0.00 H new ATOM 0 HA GLU B 19 4.751 13.666 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.619 12.919 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.107 13.359 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.484 15.734 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU B 19 5.996 15.292 -4.331 1.00 0.00 H new ATOM 1172 N ALA B 20 2.905 15.305 -2.494 1.00 0.00 N ATOM 1173 CA ALA B 20 1.823 16.268 -2.321 1.00 0.00 C ATOM 1174 C ALA B 20 2.311 17.578 -1.701 1.00 0.00 C ATOM 1175 O ALA B 20 3.302 17.612 -0.972 1.00 0.00 O ATOM 1176 CB ALA B 20 0.722 15.660 -1.468 1.00 0.00 C ATOM 0 H ALA B 20 3.651 15.373 -1.801 1.00 0.00 H new ATOM 0 HA ALA B 20 1.431 16.505 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.083 16.384 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.334 14.767 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.125 15.392 -0.491 1.00 0.00 H new ATOM 1182 N VAL B 21 1.606 18.656 -2.028 1.00 0.00 N ATOM 1183 CA VAL B 21 1.947 19.993 -1.542 1.00 0.00 C ATOM 1184 C VAL B 21 2.132 20.014 -0.024 1.00 0.00 C ATOM 1185 O VAL B 21 2.890 20.828 0.506 1.00 0.00 O ATOM 1186 CB VAL B 21 0.859 21.014 -1.923 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.307 22.429 -1.586 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.501 20.890 -3.396 1.00 0.00 C ATOM 0 H VAL B 21 0.786 18.631 -2.634 1.00 0.00 H new ATOM 0 HA VAL B 21 2.889 20.266 -2.017 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.036 20.798 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.524 23.134 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.501 22.504 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.218 22.663 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.269 21.620 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.387 21.076 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.128 19.886 -3.596 1.00 0.00 H new ATOM 1198 N ASP B 22 1.444 19.115 0.670 1.00 0.00 N ATOM 1199 CA ASP B 22 1.550 19.037 2.126 1.00 0.00 C ATOM 1200 C ASP B 22 1.239 17.635 2.634 1.00 0.00 C ATOM 1201 O ASP B 22 0.800 16.772 1.876 1.00 0.00 O ATOM 1202 CB ASP B 22 0.626 20.061 2.790 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.778 20.028 2.226 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.939 20.343 1.029 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.715 19.686 2.977 1.00 0.00 O ATOM 0 H ASP B 22 0.810 18.433 0.253 1.00 0.00 H new ATOM 0 HA ASP B 22 2.581 19.269 2.394 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.588 19.869 3.862 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.043 21.060 2.660 1.00 0.00 H new ATOM 1210 N ALA B 23 1.475 17.414 3.924 1.00 0.00 N ATOM 1211 CA ALA B 23 1.226 16.115 4.534 1.00 0.00 C ATOM 1212 C ALA B 23 -0.231 15.707 4.381 1.00 0.00 C ATOM 1213 O ALA B 23 -0.533 14.553 4.078 1.00 0.00 O ATOM 1214 CB ALA B 23 1.628 16.133 6.001 1.00 0.00 C ATOM 0 H ALA B 23 1.838 18.119 4.566 1.00 0.00 H new ATOM 0 HA ALA B 23 1.835 15.375 4.016 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.436 15.155 6.443 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.689 16.367 6.085 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.047 16.890 6.528 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.134 16.659 4.578 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.556 16.385 4.443 1.00 0.00 C ATOM 1222 C ALA B 24 -2.872 15.991 3.011 1.00 0.00 C ATOM 1223 O ALA B 24 -3.404 14.911 2.763 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.381 17.590 4.868 1.00 0.00 C ATOM 0 H ALA B 24 -0.908 17.621 4.830 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.817 15.555 5.100 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.441 17.362 4.759 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.167 17.828 5.910 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.127 18.444 4.241 1.00 0.00 H new ATOM 1230 N THR B 25 -2.508 16.851 2.061 1.00 0.00 N ATOM 1231 CA THR B 25 -2.728 16.552 0.658 1.00 0.00 C ATOM 1232 C THR B 25 -2.154 15.180 0.343 1.00 0.00 C ATOM 1233 O THR B 25 -2.801 14.357 -0.303 1.00 0.00 O ATOM 1234 CB THR B 25 -2.095 17.626 -0.229 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.746 17.864 0.135 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.833 18.947 -0.184 1.00 0.00 C ATOM 0 H THR B 25 -2.064 17.751 2.241 1.00 0.00 H new ATOM 0 HA THR B 25 -3.799 16.546 0.454 1.00 0.00 H new ATOM 0 HB THR B 25 -2.154 17.230 -1.243 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.552 17.415 0.984 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.333 19.665 -0.834 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.859 18.802 -0.523 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.839 19.326 0.838 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.945 14.925 0.844 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.306 13.635 0.648 1.00 0.00 C ATOM 1246 C ALA B 26 -1.167 12.547 1.266 1.00 0.00 C ATOM 1247 O ALA B 26 -1.503 11.559 0.613 1.00 0.00 O ATOM 1248 CB ALA B 26 1.090 13.631 1.257 1.00 0.00 C ATOM 0 H ALA B 26 -0.396 15.594 1.384 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.204 13.443 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.553 12.657 1.100 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.697 14.401 0.781 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.021 13.832 2.326 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.542 12.745 2.529 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.386 11.792 3.236 1.00 0.00 C ATOM 1256 C GLU B 27 -3.657 11.530 2.443 1.00 0.00 C ATOM 1257 O GLU B 27 -4.067 10.383 2.275 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.727 12.327 4.631 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.536 11.365 5.493 1.00 0.00 C ATOM 1260 CD GLU B 27 -5.035 11.475 5.273 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -5.503 11.162 4.161 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.742 11.874 6.222 1.00 0.00 O ATOM 0 H GLU B 27 -1.272 13.559 3.081 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.845 10.852 3.345 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.800 12.570 5.151 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.285 13.257 4.524 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -3.219 10.344 5.281 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.315 11.556 6.543 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.269 12.605 1.948 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.492 12.501 1.163 1.00 0.00 C ATOM 1271 C LYS B 28 -5.233 11.764 -0.142 1.00 0.00 C ATOM 1272 O LYS B 28 -5.983 10.864 -0.519 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.063 13.889 0.875 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.484 14.641 2.127 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.501 13.849 2.929 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.927 14.596 4.182 1.00 0.00 C ATOM 1277 NZ LYS B 28 -6.774 14.884 5.078 1.00 0.00 N ATOM 0 H LYS B 28 -3.934 13.560 2.079 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.220 11.935 1.744 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.317 14.477 0.341 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.924 13.789 0.213 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.609 14.843 2.744 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.908 15.606 1.849 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.375 13.646 2.310 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.076 12.884 3.206 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.410 15.532 3.900 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.667 14.006 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.125 15.174 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.190 14.029 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.200 15.650 4.670 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.155 12.140 -0.825 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.795 11.498 -2.080 1.00 0.00 C ATOM 1293 C VAL B 29 -3.624 10.004 -1.870 1.00 0.00 C ATOM 1294 O VAL B 29 -4.047 9.196 -2.697 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.498 12.092 -2.671 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -2.122 11.392 -3.969 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.648 13.591 -2.892 1.00 0.00 C ATOM 0 H VAL B 29 -3.520 12.882 -0.530 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.603 11.679 -2.789 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.693 11.929 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -1.205 11.828 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.965 10.330 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.926 11.515 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.724 13.992 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.469 13.776 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.859 14.080 -1.941 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.022 9.641 -0.743 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.822 8.239 -0.415 1.00 0.00 C ATOM 1309 C VAL B 30 -4.175 7.545 -0.294 1.00 0.00 C ATOM 1310 O VAL B 30 -4.361 6.442 -0.803 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.035 8.065 0.896 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.708 6.597 1.126 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.767 8.908 0.879 1.00 0.00 C ATOM 0 H VAL B 30 -2.667 10.296 -0.046 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.238 7.788 -1.218 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.657 8.411 1.722 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.151 6.490 2.057 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.633 6.024 1.188 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.105 6.224 0.298 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.226 8.770 1.815 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.136 8.599 0.046 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.031 9.959 0.764 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.126 8.201 0.380 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.463 7.634 0.549 1.00 0.00 C ATOM 1325 C LYS B 31 -6.998 7.156 -0.790 1.00 0.00 C ATOM 1326 O LYS B 31 -7.470 6.029 -0.919 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.433 8.655 1.148 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.893 9.373 2.371 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.341 8.403 3.402 1.00 0.00 C ATOM 1330 CE LYS B 31 -7.447 7.706 4.180 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.255 6.793 3.326 1.00 0.00 N ATOM 0 H LYS B 31 -4.995 9.115 0.812 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.382 6.793 1.237 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.684 9.394 0.386 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.359 8.147 1.417 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.108 10.066 2.068 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.687 9.969 2.822 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.723 7.656 2.903 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.694 8.940 4.095 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.008 7.138 5.000 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.101 8.455 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.222 7.166 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.822 6.726 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.287 5.849 3.761 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.898 8.024 -1.788 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.350 7.691 -3.128 1.00 0.00 C ATOM 1347 C GLN B 32 -6.627 6.440 -3.619 1.00 0.00 C ATOM 1348 O GLN B 32 -7.209 5.600 -4.304 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.134 8.887 -4.071 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.167 8.541 -5.557 1.00 0.00 C ATOM 1351 CD GLN B 32 -5.884 7.900 -6.080 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -5.838 7.458 -7.229 1.00 0.00 O ATOM 1353 NE2 GLN B 32 -4.829 7.856 -5.264 1.00 0.00 N ATOM 0 H GLN B 32 -6.508 8.962 -1.693 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.418 7.475 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.901 9.635 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.173 9.346 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -8.000 7.863 -5.742 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.364 9.450 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -4.900 8.231 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -3.952 7.448 -5.586 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.356 6.323 -3.248 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.543 5.176 -3.632 1.00 0.00 C ATOM 1364 C PHE B 33 -5.229 3.878 -3.202 1.00 0.00 C ATOM 1365 O PHE B 33 -5.641 3.070 -4.033 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.157 5.291 -2.983 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.149 4.325 -3.524 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.688 4.446 -4.824 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.670 3.287 -2.737 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.766 3.550 -5.327 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.747 2.392 -3.239 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.297 2.525 -4.537 1.00 0.00 C ATOM 0 H PHE B 33 -4.865 7.013 -2.679 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.427 5.161 -4.716 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.784 6.306 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.256 5.134 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.053 5.248 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.023 3.179 -1.722 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.412 3.653 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.378 1.590 -2.618 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.423 1.825 -4.933 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.356 3.707 -1.892 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.001 2.524 -1.326 1.00 0.00 C ATOM 1384 C PHE B 34 -7.482 2.509 -1.669 1.00 0.00 C ATOM 1385 O PHE B 34 -8.047 1.462 -1.981 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.769 2.481 0.179 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.309 2.445 0.505 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.469 1.579 -0.177 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.770 3.284 1.461 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.118 1.555 0.087 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.418 3.261 1.734 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.592 2.394 1.043 1.00 0.00 C ATOM 0 H PHE B 34 -5.020 4.374 -1.197 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.559 1.628 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.226 3.354 0.644 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.259 1.603 0.599 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.879 0.915 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.413 3.964 2.000 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.473 0.880 -0.455 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.006 3.918 2.485 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.533 2.375 1.254 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.099 3.680 -1.638 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.510 3.808 -1.975 1.00 0.00 C ATOM 1404 C ASN B 35 -9.782 3.144 -3.322 1.00 0.00 C ATOM 1405 O ASN B 35 -10.816 2.510 -3.528 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.881 5.286 -2.053 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.343 5.507 -2.361 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.882 4.955 -3.320 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.986 6.335 -1.555 1.00 0.00 N ATOM 0 H ASN B 35 -7.645 4.557 -1.383 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.109 3.320 -1.206 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.637 5.768 -1.106 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.276 5.768 -2.821 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.972 6.540 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.496 6.769 -0.773 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.827 3.307 -4.228 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.920 2.740 -5.570 1.00 0.00 C ATOM 1418 C ASP B 36 -8.235 1.375 -5.671 1.00 0.00 C ATOM 1419 O ASP B 36 -8.557 0.587 -6.559 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.317 3.704 -6.594 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.098 5.001 -6.698 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.242 5.692 -5.668 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.563 5.325 -7.811 1.00 0.00 O ATOM 0 H ASP B 36 -7.970 3.833 -4.057 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.978 2.592 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.286 3.925 -6.318 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.288 3.221 -7.571 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.295 1.090 -4.769 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.599 -0.197 -4.798 1.00 0.00 C ATOM 1430 C ASN B 37 -7.418 -1.262 -4.080 1.00 0.00 C ATOM 1431 O ASN B 37 -7.590 -2.370 -4.587 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.217 -0.098 -4.141 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.282 0.848 -4.865 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.212 0.851 -6.093 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.525 1.635 -4.103 1.00 0.00 N ATOM 0 H ASN B 37 -7.002 1.720 -4.022 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.472 -0.476 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.334 0.235 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.766 -1.090 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.855 2.272 -4.535 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.615 1.601 -3.088 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.907 -0.899 -2.896 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.709 -1.783 -2.060 1.00 0.00 C ATOM 1444 C GLY B 38 -9.189 -3.062 -2.730 1.00 0.00 C ATOM 1445 O GLY B 38 -8.403 -3.973 -2.990 1.00 0.00 O ATOM 0 H GLY B 38 -7.755 0.024 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.124 -2.052 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.579 -1.230 -1.707 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.498 -3.151 -2.938 1.00 0.00 N ATOM 1450 CA VAL B 39 -11.107 -4.351 -3.503 1.00 0.00 C ATOM 1451 C VAL B 39 -11.606 -4.179 -4.936 1.00 0.00 C ATOM 1452 O VAL B 39 -12.201 -5.103 -5.491 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.308 -4.774 -2.646 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.868 -6.113 -3.107 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.931 -4.820 -1.174 1.00 0.00 C ATOM 0 H VAL B 39 -11.160 -2.405 -2.723 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.318 -5.103 -3.511 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.090 -4.026 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.718 -6.387 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.192 -6.034 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.096 -6.878 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.798 -5.122 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.124 -5.538 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.600 -3.833 -0.852 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.379 -3.027 -5.550 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.838 -2.816 -6.924 1.00 0.00 C ATOM 1467 C ASP B 40 -10.697 -2.378 -7.846 1.00 0.00 C ATOM 1468 O ASP B 40 -10.938 -1.955 -8.978 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.953 -1.768 -6.953 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.157 -2.184 -6.129 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.999 -2.391 -4.908 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.259 -2.302 -6.707 1.00 0.00 O ATOM 0 H ASP B 40 -10.890 -2.235 -5.133 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.219 -3.769 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.568 -0.821 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.263 -1.599 -7.984 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.460 -2.467 -7.364 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.319 -2.058 -8.170 1.00 0.00 C ATOM 1479 C GLY B 41 -7.872 -3.119 -9.159 1.00 0.00 C ATOM 1480 O GLY B 41 -8.354 -4.252 -9.132 1.00 0.00 O ATOM 0 H GLY B 41 -9.226 -2.813 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.574 -1.149 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.487 -1.812 -7.511 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.934 -2.746 -10.033 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.403 -3.663 -11.039 1.00 0.00 C ATOM 1486 C GLU B 42 -5.016 -4.155 -10.631 1.00 0.00 C ATOM 1487 O GLU B 42 -4.052 -3.385 -10.615 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.332 -2.975 -12.404 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.680 -2.492 -12.914 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.663 -3.625 -13.145 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.284 -4.796 -12.930 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.811 -3.341 -13.544 1.00 0.00 O ATOM 0 H GLU B 42 -6.527 -1.811 -10.062 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.074 -4.519 -11.111 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.652 -2.125 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.906 -3.668 -13.129 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.104 -1.790 -12.196 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.536 -1.946 -13.847 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.929 -5.432 -10.270 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.671 -6.015 -9.826 1.00 0.00 C ATOM 1501 C TRP B 43 -3.045 -6.923 -10.881 1.00 0.00 C ATOM 1502 O TRP B 43 -3.659 -7.895 -11.321 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.896 -6.837 -8.558 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.509 -6.073 -7.425 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.490 -5.123 -7.495 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.184 -6.211 -6.040 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.789 -4.663 -6.235 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.000 -5.317 -5.328 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.277 -7.007 -5.337 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.938 -5.196 -3.944 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.216 -6.888 -3.963 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.043 -5.989 -3.278 1.00 0.00 C ATOM 0 H TRP B 43 -5.716 -6.081 -10.277 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.990 -5.185 -9.638 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.538 -7.684 -8.798 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.940 -7.245 -8.230 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.960 -4.784 -8.406 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.485 -3.951 -6.012 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.636 -7.702 -5.858 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.573 -4.502 -3.414 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.519 -7.498 -3.407 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.973 -5.920 -2.202 1.00 0.00 H new ATOM 1523 N THR B 44 -1.805 -6.621 -11.252 1.00 0.00 N ATOM 1524 CA THR B 44 -1.076 -7.432 -12.219 1.00 0.00 C ATOM 1525 C THR B 44 0.032 -8.197 -11.500 1.00 0.00 C ATOM 1526 O THR B 44 0.688 -7.655 -10.610 1.00 0.00 O ATOM 1527 CB THR B 44 -0.493 -6.556 -13.332 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.333 -5.541 -12.790 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.550 -5.884 -14.181 1.00 0.00 C ATOM 0 H THR B 44 -1.284 -5.819 -10.897 1.00 0.00 H new ATOM 0 HA THR B 44 -1.762 -8.142 -12.681 1.00 0.00 H new ATOM 0 HB THR B 44 0.079 -7.235 -13.964 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.874 -5.913 -12.062 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.069 -5.279 -14.950 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.174 -6.643 -14.654 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.170 -5.245 -13.552 1.00 0.00 H new ATOM 1537 N TYR B 45 0.224 -9.462 -11.863 1.00 0.00 N ATOM 1538 CA TYR B 45 1.239 -10.290 -11.213 1.00 0.00 C ATOM 1539 C TYR B 45 2.407 -10.604 -12.143 1.00 0.00 C ATOM 1540 O TYR B 45 2.229 -10.801 -13.345 1.00 0.00 O ATOM 1541 CB TYR B 45 0.608 -11.591 -10.712 1.00 0.00 C ATOM 1542 CG TYR B 45 1.577 -12.500 -9.989 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.421 -12.004 -9.003 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.644 -13.854 -10.292 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.304 -12.833 -8.339 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.526 -14.689 -9.633 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.354 -14.174 -8.658 1.00 0.00 C ATOM 1548 OH TYR B 45 4.232 -15.003 -7.998 1.00 0.00 O ATOM 0 H TYR B 45 -0.304 -9.934 -12.597 1.00 0.00 H new ATOM 0 HA TYR B 45 1.634 -9.722 -10.371 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.218 -11.349 -10.043 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.184 -12.128 -11.560 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.386 -10.954 -8.752 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.996 -14.261 -11.055 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.952 -12.433 -7.573 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.567 -15.740 -9.880 1.00 0.00 H new ATOM 0 HH TYR B 45 4.140 -15.916 -8.341 1.00 0.00 H new ATOM 1558 N ASP B 46 3.606 -10.659 -11.563 1.00 0.00 N ATOM 1559 CA ASP B 46 4.818 -10.963 -12.317 1.00 0.00 C ATOM 1560 C ASP B 46 5.526 -12.176 -11.717 1.00 0.00 C ATOM 1561 O ASP B 46 6.466 -12.037 -10.935 1.00 0.00 O ATOM 1562 CB ASP B 46 5.759 -9.754 -12.321 1.00 0.00 C ATOM 1563 CG ASP B 46 7.028 -10.010 -13.109 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.926 -10.294 -14.321 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.123 -9.926 -12.515 1.00 0.00 O ATOM 0 H ASP B 46 3.762 -10.496 -10.568 1.00 0.00 H new ATOM 0 HA ASP B 46 4.538 -11.193 -13.345 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.239 -8.894 -12.744 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.018 -9.496 -11.294 1.00 0.00 H new ATOM 1570 N ASP B 47 5.056 -13.366 -12.079 1.00 0.00 N ATOM 1571 CA ASP B 47 5.625 -14.614 -11.574 1.00 0.00 C ATOM 1572 C ASP B 47 7.149 -14.624 -11.673 1.00 0.00 C ATOM 1573 O ASP B 47 7.831 -15.171 -10.807 1.00 0.00 O ATOM 1574 CB ASP B 47 5.050 -15.804 -12.342 1.00 0.00 C ATOM 1575 CG ASP B 47 3.542 -15.901 -12.216 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.850 -14.941 -12.618 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.053 -16.937 -11.720 1.00 0.00 O ATOM 0 H ASP B 47 4.277 -13.494 -12.725 1.00 0.00 H new ATOM 0 HA ASP B 47 5.357 -14.693 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.319 -15.717 -13.395 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.502 -16.724 -11.972 1.00 0.00 H new ATOM 1582 N ALA B 48 7.677 -14.036 -12.742 1.00 0.00 N ATOM 1583 CA ALA B 48 9.120 -13.998 -12.963 1.00 0.00 C ATOM 1584 C ALA B 48 9.875 -13.518 -11.725 1.00 0.00 C ATOM 1585 O ALA B 48 11.004 -13.938 -11.477 1.00 0.00 O ATOM 1586 CB ALA B 48 9.444 -13.109 -14.153 1.00 0.00 C ATOM 0 H ALA B 48 7.127 -13.579 -13.470 1.00 0.00 H new ATOM 0 HA ALA B 48 9.448 -15.016 -13.172 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.523 -13.088 -14.309 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.956 -13.503 -15.045 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.086 -12.098 -13.960 1.00 0.00 H new ATOM 1592 N THR B 49 9.250 -12.638 -10.949 1.00 0.00 N ATOM 1593 CA THR B 49 9.876 -12.113 -9.740 1.00 0.00 C ATOM 1594 C THR B 49 8.959 -12.257 -8.526 1.00 0.00 C ATOM 1595 O THR B 49 9.190 -11.631 -7.492 1.00 0.00 O ATOM 1596 CB THR B 49 10.249 -10.642 -9.933 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.099 -9.869 -10.228 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.251 -10.420 -11.044 1.00 0.00 C ATOM 0 H THR B 49 8.315 -12.275 -11.134 1.00 0.00 H new ATOM 0 HA THR B 49 10.778 -12.696 -9.556 1.00 0.00 H new ATOM 0 HB THR B 49 10.702 -10.332 -8.992 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.056 -9.702 -11.193 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.472 -9.356 -11.128 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.168 -10.965 -10.821 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.836 -10.779 -11.986 1.00 0.00 H new ATOM 1606 N LYS B 50 7.915 -13.076 -8.654 1.00 0.00 N ATOM 1607 CA LYS B 50 6.969 -13.279 -7.560 1.00 0.00 C ATOM 1608 C LYS B 50 6.530 -11.938 -6.979 1.00 0.00 C ATOM 1609 O LYS B 50 6.317 -11.808 -5.771 1.00 0.00 O ATOM 1610 CB LYS B 50 7.591 -14.139 -6.463 1.00 0.00 C ATOM 1611 CG LYS B 50 7.927 -15.547 -6.920 1.00 0.00 C ATOM 1612 CD LYS B 50 7.483 -16.577 -5.897 1.00 0.00 C ATOM 1613 CE LYS B 50 8.166 -16.363 -4.554 1.00 0.00 C ATOM 1614 NZ LYS B 50 9.648 -16.470 -4.658 1.00 0.00 N ATOM 0 H LYS B 50 7.705 -13.606 -9.500 1.00 0.00 H new ATOM 0 HA LYS B 50 6.096 -13.796 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.499 -13.655 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.903 -14.193 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS B 50 7.442 -15.747 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.001 -15.632 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.402 -16.521 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.709 -17.578 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.900 -15.380 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS B 50 7.799 -17.099 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 10.061 -16.505 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.898 -17.337 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 10.021 -15.643 -5.167 1.00 0.00 H new ATOM 1628 N THR B 51 6.418 -10.937 -7.846 1.00 0.00 N ATOM 1629 CA THR B 51 6.027 -9.598 -7.425 1.00 0.00 C ATOM 1630 C THR B 51 4.714 -9.167 -8.070 1.00 0.00 C ATOM 1631 O THR B 51 4.473 -9.427 -9.248 1.00 0.00 O ATOM 1632 CB THR B 51 7.134 -8.600 -7.776 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.346 -8.949 -7.133 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.803 -7.175 -7.391 1.00 0.00 C ATOM 0 H THR B 51 6.593 -11.029 -8.847 1.00 0.00 H new ATOM 0 HA THR B 51 5.877 -9.616 -6.345 1.00 0.00 H new ATOM 0 HB THR B 51 7.233 -8.651 -8.860 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.586 -9.871 -7.365 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.630 -6.522 -7.668 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.900 -6.858 -7.912 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.640 -7.117 -6.315 1.00 0.00 H new ATOM 1642 N PHE B 52 3.877 -8.495 -7.287 1.00 0.00 N ATOM 1643 CA PHE B 52 2.590 -8.009 -7.771 1.00 0.00 C ATOM 1644 C PHE B 52 2.622 -6.492 -7.914 1.00 0.00 C ATOM 1645 O PHE B 52 3.192 -5.801 -7.077 1.00 0.00 O ATOM 1646 CB PHE B 52 1.469 -8.403 -6.804 1.00 0.00 C ATOM 1647 CG PHE B 52 1.395 -9.876 -6.514 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.439 -10.523 -5.869 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.278 -10.612 -6.876 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.368 -11.876 -5.596 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.204 -11.964 -6.602 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.251 -12.595 -5.961 1.00 0.00 C ATOM 0 H PHE B 52 4.068 -8.274 -6.310 1.00 0.00 H new ATOM 0 HA PHE B 52 2.398 -8.462 -8.744 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.608 -7.866 -5.866 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.515 -8.077 -7.219 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.316 -9.964 -5.577 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.544 -10.123 -7.378 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.188 -12.370 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.672 -12.527 -6.889 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.195 -13.652 -5.746 1.00 0.00 H new ATOM 1662 N THR B 53 2.002 -5.972 -8.966 1.00 0.00 N ATOM 1663 CA THR B 53 1.966 -4.528 -9.182 1.00 0.00 C ATOM 1664 C THR B 53 0.536 -4.002 -9.155 1.00 0.00 C ATOM 1665 O THR B 53 -0.317 -4.435 -9.930 1.00 0.00 O ATOM 1666 CB THR B 53 2.645 -4.151 -10.500 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.331 -5.082 -11.518 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.153 -4.055 -10.396 1.00 0.00 C ATOM 0 H THR B 53 1.521 -6.521 -9.678 1.00 0.00 H new ATOM 0 HA THR B 53 2.517 -4.062 -8.365 1.00 0.00 H new ATOM 0 HB THR B 53 2.257 -3.163 -10.748 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.719 -4.669 -12.162 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.568 -3.784 -11.367 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.419 -3.294 -9.662 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.558 -5.018 -10.084 1.00 0.00 H new ATOM 1676 N VAL B 54 0.293 -3.051 -8.260 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.021 -2.438 -8.126 1.00 0.00 C ATOM 1678 C VAL B 54 -1.020 -1.062 -8.778 1.00 0.00 C ATOM 1679 O VAL B 54 -0.424 -0.120 -8.257 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.437 -2.310 -6.645 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.827 -1.702 -6.524 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.382 -3.668 -5.958 1.00 0.00 C ATOM 0 H VAL B 54 0.993 -2.687 -7.614 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.743 -3.083 -8.627 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.732 -1.643 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.099 -1.622 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.831 -0.710 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.548 -2.338 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.678 -3.560 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.062 -4.357 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.366 -4.060 -6.008 1.00 0.00 H new ATOM 1692 N THR B 55 -1.675 -0.952 -9.929 1.00 0.00 N ATOM 1693 CA THR B 55 -1.722 0.315 -10.650 1.00 0.00 C ATOM 1694 C THR B 55 -3.063 1.008 -10.461 1.00 0.00 C ATOM 1695 O THR B 55 -4.105 0.481 -10.850 1.00 0.00 O ATOM 1696 CB THR B 55 -1.454 0.091 -12.138 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.268 -0.664 -12.325 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.295 1.382 -12.910 1.00 0.00 C ATOM 0 H THR B 55 -2.177 -1.717 -10.380 1.00 0.00 H new ATOM 0 HA THR B 55 -0.945 0.960 -10.241 1.00 0.00 H new ATOM 0 HB THR B 55 -2.327 -0.442 -12.515 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.114 -0.799 -13.283 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.107 1.157 -13.960 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.207 1.973 -12.823 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.456 1.948 -12.504 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.037 2.196 -9.859 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.271 2.943 -9.627 1.00 0.00 C ATOM 1708 C GLU B 56 -4.734 3.635 -10.906 1.00 0.00 C ATOM 1709 O GLU B 56 -3.871 3.966 -11.745 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.096 3.977 -8.509 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.243 5.176 -8.892 1.00 0.00 C ATOM 1712 CD GLU B 56 -3.172 6.211 -7.785 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -3.783 5.985 -6.718 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -2.507 7.248 -7.985 1.00 0.00 O ATOM 1715 OXT GLU B 56 -5.957 3.838 -11.058 1.00 0.00 O ATOM 0 H GLU B 56 -2.189 2.656 -9.528 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.032 2.227 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -5.080 4.330 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.647 3.488 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.236 4.839 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -3.651 5.637 -9.791 1.00 0.00 H new