USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 150:sc= 0.846 USER MOD Set 1.2: A 109 SER OG : rot 128:sc= 0.981 USER MOD Set 2.1: A 59 HIS : no HD1:sc= -12.7! C(o=-19!,f=-16!) USER MOD Set 2.2: A 92 HIS : no HD1:sc= -6.54! C(o=-19!,f=-16!) USER MOD Set 2.3: A 102 THR OG1 : rot -140:sc= 0.0252 USER MOD Set 3.1: A 66 CYS SG : rot -55:sc= -1.11! USER MOD Set 3.2: A 71 SER OG : rot -79:sc= -1.1! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= -0.142 (180deg=-0.889) USER MOD Single : A 15 GLN : amide:sc= -2 K(o=-2,f=-0.46) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.153 (180deg=-1.02) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.848! K(o=-0.85!,f=-0.23) USER MOD Single : A 37 THR OG1 : rot -120:sc= -3.75! USER MOD Single : A 41 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= -2.86! (180deg=-4.79!) USER MOD Single : A 46 THR OG1 : rot -95:sc= 0.0439 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.042) USER MOD Single : A 53 ASN : amide:sc= -0.121 K(o=-0.12,f=0.64) USER MOD Single : A 55 GLN : amide:sc= -1.02 K(o=-1,f=-0.071) USER MOD Single : A 56 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 60 TYR OH : rot 150:sc= -2.38! USER MOD Single : A 64 ASN : amide:sc= -1.03 K(o=-1,f=-2.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 68 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.028) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.852 K(o=-0.85,f=-0.22) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.164 X(o=-0.16,f=0.27) USER MOD Single : A 91 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.4) USER MOD Single : A 96 GLN : amide:sc= -0.935 K(o=-0.94,f=0.96) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 90:sc= -4.43! USER MOD Single : A 108 LYS NZ :NH3+ -148:sc= -0.11 (180deg=-0.723) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -36:sc= -0.904 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 103.853 -6.154 12.298 1.00 0.00 N ATOM 36 CA PRO A 3 103.620 -6.884 11.018 1.00 0.00 C ATOM 37 C PRO A 3 102.590 -8.007 11.178 1.00 0.00 C ATOM 38 O PRO A 3 102.931 -9.148 11.420 1.00 0.00 O ATOM 39 CB PRO A 3 104.996 -7.459 10.654 1.00 0.00 C ATOM 40 CG PRO A 3 105.986 -6.685 11.461 1.00 0.00 C ATOM 41 CD PRO A 3 105.257 -6.235 12.724 1.00 0.00 C ATOM 0 HA PRO A 3 103.216 -6.227 10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 3 105.049 -8.523 10.885 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.194 -7.355 9.587 1.00 0.00 H new ATOM 0 HG2 PRO A 3 106.850 -7.301 11.710 1.00 0.00 H new ATOM 0 HG3 PRO A 3 106.357 -5.827 10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.389 -6.947 13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 3 105.625 -5.272 13.079 1.00 0.00 H new ATOM 49 N GLU A 4 101.330 -7.690 11.051 1.00 0.00 N ATOM 50 CA GLU A 4 100.278 -8.735 11.203 1.00 0.00 C ATOM 51 C GLU A 4 100.102 -9.493 9.883 1.00 0.00 C ATOM 52 O GLU A 4 99.729 -10.648 9.869 1.00 0.00 O ATOM 53 CB GLU A 4 98.956 -8.072 11.591 1.00 0.00 C ATOM 54 CG GLU A 4 99.018 -7.626 13.053 1.00 0.00 C ATOM 55 CD GLU A 4 97.751 -6.843 13.403 1.00 0.00 C ATOM 56 OE1 GLU A 4 96.757 -7.477 13.718 1.00 0.00 O ATOM 57 OE2 GLU A 4 97.796 -5.626 13.351 1.00 0.00 O ATOM 0 H GLU A 4 100.984 -6.752 10.848 1.00 0.00 H new ATOM 0 HA GLU A 4 100.578 -9.437 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.764 -7.214 10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.131 -8.770 11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 4 99.113 -8.494 13.705 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.899 -7.005 13.218 1.00 0.00 H new ATOM 64 N PHE A 5 100.362 -8.853 8.775 1.00 0.00 N ATOM 65 CA PHE A 5 100.199 -9.548 7.466 1.00 0.00 C ATOM 66 C PHE A 5 101.292 -10.607 7.302 1.00 0.00 C ATOM 67 O PHE A 5 101.197 -11.484 6.467 1.00 0.00 O ATOM 68 CB PHE A 5 100.293 -8.533 6.321 1.00 0.00 C ATOM 69 CG PHE A 5 99.489 -9.037 5.147 1.00 0.00 C ATOM 70 CD1 PHE A 5 98.094 -8.967 5.175 1.00 0.00 C ATOM 71 CD2 PHE A 5 100.137 -9.591 4.036 1.00 0.00 C ATOM 72 CE1 PHE A 5 97.347 -9.447 4.099 1.00 0.00 C ATOM 73 CE2 PHE A 5 99.389 -10.069 2.956 1.00 0.00 C ATOM 74 CZ PHE A 5 97.995 -10.000 2.987 1.00 0.00 C ATOM 0 H PHE A 5 100.678 -7.885 8.719 1.00 0.00 H new ATOM 0 HA PHE A 5 99.222 -10.030 7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.916 -7.563 6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 5 101.334 -8.389 6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 5 97.593 -8.540 6.031 1.00 0.00 H new ATOM 0 HD2 PHE A 5 101.215 -9.649 4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.269 -9.392 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 5 99.890 -10.492 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 5 97.417 -10.373 2.154 1.00 0.00 H new ATOM 84 N LEU A 6 102.328 -10.535 8.092 1.00 0.00 N ATOM 85 CA LEU A 6 103.419 -11.542 7.975 1.00 0.00 C ATOM 86 C LEU A 6 103.045 -12.793 8.772 1.00 0.00 C ATOM 87 O LEU A 6 103.309 -13.906 8.362 1.00 0.00 O ATOM 88 CB LEU A 6 104.721 -10.954 8.523 1.00 0.00 C ATOM 89 CG LEU A 6 104.979 -9.592 7.878 1.00 0.00 C ATOM 90 CD1 LEU A 6 106.389 -9.117 8.232 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.853 -9.716 6.357 1.00 0.00 C ATOM 0 H LEU A 6 102.466 -9.825 8.811 1.00 0.00 H new ATOM 0 HA LEU A 6 103.557 -11.808 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.657 -10.849 9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.552 -11.629 8.317 1.00 0.00 H new ATOM 0 HG LEU A 6 104.249 -8.872 8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 6 106.572 -8.146 7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 6 106.482 -9.029 9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 6 107.119 -9.837 7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 6 105.037 -8.745 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.583 -10.436 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.849 -10.055 6.101 1.00 0.00 H new ATOM 103 N LYS A 7 102.431 -12.617 9.908 1.00 0.00 N ATOM 104 CA LYS A 7 102.037 -13.792 10.732 1.00 0.00 C ATOM 105 C LYS A 7 100.584 -14.162 10.427 1.00 0.00 C ATOM 106 O LYS A 7 100.055 -15.123 10.947 1.00 0.00 O ATOM 107 CB LYS A 7 102.173 -13.445 12.217 1.00 0.00 C ATOM 108 CG LYS A 7 103.425 -12.592 12.430 1.00 0.00 C ATOM 109 CD LYS A 7 104.653 -13.348 11.915 1.00 0.00 C ATOM 110 CE LYS A 7 105.921 -12.702 12.473 1.00 0.00 C ATOM 111 NZ LYS A 7 107.115 -13.296 11.809 1.00 0.00 N ATOM 0 H LYS A 7 102.185 -11.709 10.302 1.00 0.00 H new ATOM 0 HA LYS A 7 102.686 -14.635 10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 7 101.290 -12.904 12.557 1.00 0.00 H new ATOM 0 HB3 LYS A 7 102.237 -14.357 12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.324 -11.642 11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 7 103.545 -12.361 13.489 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.602 -14.394 12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.673 -13.331 10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.897 -11.625 12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.977 -12.856 13.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.978 -12.857 12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 107.139 -14.320 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 107.062 -13.127 10.784 1.00 0.00 H new ATOM 125 N ALA A 8 99.935 -13.404 9.584 1.00 0.00 N ATOM 126 CA ALA A 8 98.516 -13.709 9.243 1.00 0.00 C ATOM 127 C ALA A 8 98.349 -15.218 9.051 1.00 0.00 C ATOM 128 O ALA A 8 99.189 -15.876 8.470 1.00 0.00 O ATOM 129 CB ALA A 8 98.136 -12.984 7.950 1.00 0.00 C ATOM 0 H ALA A 8 100.327 -12.586 9.117 1.00 0.00 H new ATOM 0 HA ALA A 8 97.868 -13.373 10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 8 97.099 -13.206 7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 8 98.254 -11.909 8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.784 -13.320 7.141 1.00 0.00 H new ATOM 135 N GLY A 9 97.271 -15.771 9.536 1.00 0.00 N ATOM 136 CA GLY A 9 97.047 -17.236 9.381 1.00 0.00 C ATOM 137 C GLY A 9 96.539 -17.816 10.702 1.00 0.00 C ATOM 138 O GLY A 9 97.124 -18.723 11.259 1.00 0.00 O ATOM 0 H GLY A 9 96.535 -15.270 10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.323 -17.422 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.975 -17.728 9.088 1.00 0.00 H new ATOM 142 N LYS A 10 95.452 -17.300 11.209 1.00 0.00 N ATOM 143 CA LYS A 10 94.907 -17.819 12.492 1.00 0.00 C ATOM 144 C LYS A 10 93.386 -17.946 12.387 1.00 0.00 C ATOM 145 O LYS A 10 92.690 -18.021 13.380 1.00 0.00 O ATOM 146 CB LYS A 10 95.262 -16.851 13.623 1.00 0.00 C ATOM 147 CG LYS A 10 95.246 -15.417 13.092 1.00 0.00 C ATOM 148 CD LYS A 10 94.933 -14.450 14.236 1.00 0.00 C ATOM 149 CE LYS A 10 95.275 -13.022 13.805 1.00 0.00 C ATOM 150 NZ LYS A 10 96.746 -12.903 13.604 1.00 0.00 N ATOM 0 H LYS A 10 94.918 -16.540 10.788 1.00 0.00 H new ATOM 0 HA LYS A 10 95.338 -18.798 12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.550 -16.955 14.442 1.00 0.00 H new ATOM 0 HB3 LYS A 10 96.247 -17.090 14.025 1.00 0.00 H new ATOM 0 HG2 LYS A 10 96.211 -15.172 12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 10 94.499 -15.318 12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 10 93.879 -14.517 14.505 1.00 0.00 H new ATOM 0 HD3 LYS A 10 95.506 -14.721 15.123 1.00 0.00 H new ATOM 0 HE2 LYS A 10 94.750 -12.773 12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 10 94.942 -12.312 14.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 97.045 -11.926 13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 97.238 -13.551 14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 96.983 -13.149 12.622 1.00 0.00 H new ATOM 164 N GLU A 11 92.863 -17.970 11.192 1.00 0.00 N ATOM 165 CA GLU A 11 91.387 -18.095 11.027 1.00 0.00 C ATOM 166 C GLU A 11 91.065 -18.450 9.570 1.00 0.00 C ATOM 167 O GLU A 11 91.506 -17.781 8.656 1.00 0.00 O ATOM 168 CB GLU A 11 90.723 -16.763 11.385 1.00 0.00 C ATOM 169 CG GLU A 11 91.037 -15.725 10.305 1.00 0.00 C ATOM 170 CD GLU A 11 89.992 -15.812 9.191 1.00 0.00 C ATOM 171 OE1 GLU A 11 90.386 -15.834 8.037 1.00 0.00 O ATOM 172 OE2 GLU A 11 88.815 -15.854 9.512 1.00 0.00 O ATOM 0 H GLU A 11 93.393 -17.908 10.323 1.00 0.00 H new ATOM 0 HA GLU A 11 91.011 -18.879 11.684 1.00 0.00 H new ATOM 0 HB2 GLU A 11 89.645 -16.895 11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 11 91.082 -16.415 12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.040 -14.725 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 11 92.033 -15.899 9.898 1.00 0.00 H new ATOM 179 N PRO A 12 90.303 -19.492 9.349 1.00 0.00 N ATOM 180 CA PRO A 12 89.925 -19.929 7.974 1.00 0.00 C ATOM 181 C PRO A 12 88.842 -19.035 7.361 1.00 0.00 C ATOM 182 O PRO A 12 87.666 -19.331 7.432 1.00 0.00 O ATOM 183 CB PRO A 12 89.394 -21.348 8.180 1.00 0.00 C ATOM 184 CG PRO A 12 88.883 -21.376 9.582 1.00 0.00 C ATOM 185 CD PRO A 12 89.720 -20.371 10.378 1.00 0.00 C ATOM 0 HA PRO A 12 90.767 -19.875 7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 12 88.602 -21.579 7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 12 90.181 -22.088 8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 12 87.826 -21.110 9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 12 88.973 -22.376 10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 12 89.105 -19.809 11.081 1.00 0.00 H new ATOM 0 HD3 PRO A 12 90.494 -20.870 10.961 1.00 0.00 H new ATOM 193 N GLY A 13 89.229 -17.944 6.759 1.00 0.00 N ATOM 194 CA GLY A 13 88.221 -17.037 6.143 1.00 0.00 C ATOM 195 C GLY A 13 88.934 -15.911 5.392 1.00 0.00 C ATOM 196 O GLY A 13 89.443 -16.102 4.306 1.00 0.00 O ATOM 0 H GLY A 13 90.199 -17.642 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.583 -17.597 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.573 -16.620 6.914 1.00 0.00 H new ATOM 200 N LEU A 14 88.972 -14.738 5.963 1.00 0.00 N ATOM 201 CA LEU A 14 89.649 -13.600 5.279 1.00 0.00 C ATOM 202 C LEU A 14 90.149 -12.598 6.322 1.00 0.00 C ATOM 203 O LEU A 14 89.540 -12.408 7.357 1.00 0.00 O ATOM 204 CB LEU A 14 88.658 -12.909 4.340 1.00 0.00 C ATOM 205 CG LEU A 14 89.351 -11.745 3.628 1.00 0.00 C ATOM 206 CD1 LEU A 14 90.524 -12.274 2.800 1.00 0.00 C ATOM 207 CD2 LEU A 14 88.350 -11.047 2.705 1.00 0.00 C ATOM 0 H LEU A 14 88.564 -14.519 6.872 1.00 0.00 H new ATOM 0 HA LEU A 14 90.496 -13.974 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.278 -13.622 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 14 87.800 -12.544 4.905 1.00 0.00 H new ATOM 0 HG LEU A 14 89.722 -11.036 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 14 91.016 -11.443 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 14 91.237 -12.773 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 14 90.156 -12.983 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 14 88.841 -10.217 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 14 87.980 -11.758 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 14 87.515 -10.668 3.294 1.00 0.00 H new ATOM 219 N GLN A 15 91.254 -11.955 6.057 1.00 0.00 N ATOM 220 CA GLN A 15 91.793 -10.963 7.031 1.00 0.00 C ATOM 221 C GLN A 15 92.243 -9.707 6.280 1.00 0.00 C ATOM 222 O GLN A 15 92.986 -9.780 5.321 1.00 0.00 O ATOM 223 CB GLN A 15 92.987 -11.569 7.770 1.00 0.00 C ATOM 224 CG GLN A 15 92.648 -12.995 8.211 1.00 0.00 C ATOM 225 CD GLN A 15 93.842 -13.596 8.956 1.00 0.00 C ATOM 226 OE1 GLN A 15 93.805 -13.753 10.160 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.906 -13.941 8.285 1.00 0.00 N ATOM 0 H GLN A 15 91.807 -12.074 5.208 1.00 0.00 H new ATOM 0 HA GLN A 15 91.017 -10.701 7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.863 -11.577 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 15 93.238 -10.959 8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 15 91.769 -12.988 8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.402 -13.607 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.936 -13.809 7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.708 -14.343 8.771 1.00 0.00 H new ATOM 236 N ILE A 16 91.796 -8.556 6.709 1.00 0.00 N ATOM 237 CA ILE A 16 92.197 -7.297 6.019 1.00 0.00 C ATOM 238 C ILE A 16 93.214 -6.543 6.879 1.00 0.00 C ATOM 239 O ILE A 16 93.200 -6.626 8.091 1.00 0.00 O ATOM 240 CB ILE A 16 90.962 -6.420 5.807 1.00 0.00 C ATOM 241 CG1 ILE A 16 89.826 -7.268 5.231 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.297 -5.290 4.831 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.554 -6.425 5.136 1.00 0.00 C ATOM 0 H ILE A 16 91.172 -8.434 7.506 1.00 0.00 H new ATOM 0 HA ILE A 16 92.645 -7.538 5.055 1.00 0.00 H new ATOM 0 HB ILE A 16 90.652 -5.996 6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.101 -7.641 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 16 89.651 -8.138 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.416 -4.666 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.106 -4.684 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.608 -5.714 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 16 87.746 -7.031 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.275 -6.073 6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.733 -5.569 4.485 1.00 0.00 H new ATOM 255 N TRP A 17 94.094 -5.804 6.261 1.00 0.00 N ATOM 256 CA TRP A 17 95.110 -5.042 7.040 1.00 0.00 C ATOM 257 C TRP A 17 95.606 -3.862 6.199 1.00 0.00 C ATOM 258 O TRP A 17 95.881 -3.998 5.024 1.00 0.00 O ATOM 259 CB TRP A 17 96.287 -5.963 7.380 1.00 0.00 C ATOM 260 CG TRP A 17 96.109 -6.519 8.758 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.107 -5.788 9.896 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.911 -7.906 9.162 1.00 0.00 C ATOM 263 NE1 TRP A 17 95.919 -6.637 10.972 1.00 0.00 N ATOM 264 CE2 TRP A 17 95.793 -7.952 10.571 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.822 -9.115 8.451 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.595 -9.155 11.251 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.623 -10.328 9.130 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.510 -10.347 10.527 1.00 0.00 C ATOM 0 H TRP A 17 94.153 -5.695 5.249 1.00 0.00 H new ATOM 0 HA TRP A 17 94.665 -4.671 7.963 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.348 -6.774 6.655 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.224 -5.410 7.319 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.232 -4.717 9.955 1.00 0.00 H new ATOM 0 HE1 TRP A 17 95.878 -6.329 11.943 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.907 -9.111 7.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.508 -9.164 12.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.557 -11.251 8.573 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.357 -11.283 11.044 1.00 0.00 H new ATOM 279 N ARG A 18 95.719 -2.704 6.792 1.00 0.00 N ATOM 280 CA ARG A 18 96.194 -1.517 6.023 1.00 0.00 C ATOM 281 C ARG A 18 97.643 -1.205 6.405 1.00 0.00 C ATOM 282 O ARG A 18 98.064 -1.431 7.520 1.00 0.00 O ATOM 283 CB ARG A 18 95.310 -0.312 6.352 1.00 0.00 C ATOM 284 CG ARG A 18 95.653 0.843 5.410 1.00 0.00 C ATOM 285 CD ARG A 18 95.069 2.145 5.960 1.00 0.00 C ATOM 286 NE ARG A 18 93.903 1.838 6.836 1.00 0.00 N ATOM 287 CZ ARG A 18 93.419 2.761 7.622 1.00 0.00 C ATOM 288 NH1 ARG A 18 92.397 2.496 8.387 1.00 0.00 N ATOM 289 NH2 ARG A 18 93.958 3.949 7.641 1.00 0.00 N ATOM 0 H ARG A 18 95.504 -2.528 7.773 1.00 0.00 H new ATOM 0 HA ARG A 18 96.139 -1.730 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.258 -0.580 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.461 -0.008 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 18 96.734 0.933 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 18 95.254 0.645 4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 18 95.828 2.686 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.760 2.792 5.139 1.00 0.00 H new ATOM 0 HE ARG A 18 93.484 0.908 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 18 91.976 1.567 8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 18 92.019 3.217 9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 18 94.757 4.156 7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 18 93.580 4.671 8.255 1.00 0.00 H new ATOM 303 N VAL A 19 98.408 -0.682 5.484 1.00 0.00 N ATOM 304 CA VAL A 19 99.827 -0.352 5.795 1.00 0.00 C ATOM 305 C VAL A 19 99.894 1.018 6.471 1.00 0.00 C ATOM 306 O VAL A 19 99.123 1.907 6.171 1.00 0.00 O ATOM 307 CB VAL A 19 100.641 -0.317 4.502 1.00 0.00 C ATOM 308 CG1 VAL A 19 100.251 0.918 3.688 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.132 -0.252 4.843 1.00 0.00 C ATOM 0 H VAL A 19 98.111 -0.470 4.532 1.00 0.00 H new ATOM 0 HA VAL A 19 100.236 -1.111 6.462 1.00 0.00 H new ATOM 0 HB VAL A 19 100.439 -1.215 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 19 100.831 0.944 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.189 0.875 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 19 100.455 1.817 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 19 102.715 -0.227 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.333 0.648 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.411 -1.130 5.425 1.00 0.00 H new ATOM 319 N GLU A 20 100.814 1.196 7.379 1.00 0.00 N ATOM 320 CA GLU A 20 100.932 2.510 8.070 1.00 0.00 C ATOM 321 C GLU A 20 102.056 3.323 7.426 1.00 0.00 C ATOM 322 O GLU A 20 102.975 2.779 6.847 1.00 0.00 O ATOM 323 CB GLU A 20 101.250 2.282 9.548 1.00 0.00 C ATOM 324 CG GLU A 20 100.819 3.505 10.362 1.00 0.00 C ATOM 325 CD GLU A 20 100.967 3.205 11.853 1.00 0.00 C ATOM 326 OE1 GLU A 20 101.577 4.005 12.541 1.00 0.00 O ATOM 327 OE2 GLU A 20 100.470 2.176 12.283 1.00 0.00 O ATOM 0 H GLU A 20 101.488 0.489 7.672 1.00 0.00 H new ATOM 0 HA GLU A 20 99.992 3.054 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 20 100.733 1.393 9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.318 2.105 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.428 4.368 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 20 99.785 3.761 10.133 1.00 0.00 H new ATOM 334 N LYS A 21 101.990 4.621 7.521 1.00 0.00 N ATOM 335 CA LYS A 21 103.055 5.469 6.915 1.00 0.00 C ATOM 336 C LYS A 21 104.426 4.850 7.196 1.00 0.00 C ATOM 337 O LYS A 21 105.403 5.154 6.541 1.00 0.00 O ATOM 338 CB LYS A 21 102.996 6.874 7.521 1.00 0.00 C ATOM 339 CG LYS A 21 104.263 7.646 7.149 1.00 0.00 C ATOM 340 CD LYS A 21 104.073 9.129 7.475 1.00 0.00 C ATOM 341 CE LYS A 21 105.342 9.901 7.107 1.00 0.00 C ATOM 342 NZ LYS A 21 106.529 9.211 7.687 1.00 0.00 N ATOM 0 H LYS A 21 101.244 5.133 7.992 1.00 0.00 H new ATOM 0 HA LYS A 21 102.899 5.530 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.115 7.402 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 21 102.902 6.810 8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 21 105.117 7.249 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 104.479 7.521 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 21 103.221 9.527 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 21 103.854 9.254 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 21 105.439 9.966 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 21 105.281 10.922 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 107.326 9.877 7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 106.300 8.869 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 106.791 8.405 7.084 1.00 0.00 H new ATOM 356 N PHE A 22 104.507 3.982 8.168 1.00 0.00 N ATOM 357 CA PHE A 22 105.816 3.345 8.488 1.00 0.00 C ATOM 358 C PHE A 22 105.586 2.101 9.350 1.00 0.00 C ATOM 359 O PHE A 22 106.395 1.760 10.191 1.00 0.00 O ATOM 360 CB PHE A 22 106.693 4.339 9.254 1.00 0.00 C ATOM 361 CG PHE A 22 108.011 3.686 9.598 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.381 3.520 10.938 1.00 0.00 C ATOM 363 CD2 PHE A 22 108.863 3.250 8.576 1.00 0.00 C ATOM 364 CE1 PHE A 22 109.603 2.915 11.256 1.00 0.00 C ATOM 365 CE2 PHE A 22 110.084 2.645 8.896 1.00 0.00 C ATOM 366 CZ PHE A 22 110.454 2.478 10.235 1.00 0.00 C ATOM 0 H PHE A 22 103.725 3.687 8.753 1.00 0.00 H new ATOM 0 HA PHE A 22 106.313 3.057 7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.863 5.231 8.650 1.00 0.00 H new ATOM 0 HB3 PHE A 22 106.186 4.662 10.164 1.00 0.00 H new ATOM 0 HD1 PHE A 22 107.724 3.858 11.726 1.00 0.00 H new ATOM 0 HD2 PHE A 22 108.579 3.380 7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 22 109.889 2.786 12.289 1.00 0.00 H new ATOM 0 HE2 PHE A 22 110.741 2.307 8.109 1.00 0.00 H new ATOM 0 HZ PHE A 22 111.397 2.012 10.480 1.00 0.00 H new ATOM 376 N ASP A 23 104.492 1.420 9.149 1.00 0.00 N ATOM 377 CA ASP A 23 104.217 0.199 9.959 1.00 0.00 C ATOM 378 C ASP A 23 102.969 -0.501 9.417 1.00 0.00 C ATOM 379 O ASP A 23 102.903 -0.865 8.260 1.00 0.00 O ATOM 380 CB ASP A 23 103.986 0.595 11.419 1.00 0.00 C ATOM 381 CG ASP A 23 104.061 -0.651 12.303 1.00 0.00 C ATOM 382 OD1 ASP A 23 104.902 -0.677 13.186 1.00 0.00 O ATOM 383 OD2 ASP A 23 103.276 -1.557 12.080 1.00 0.00 O ATOM 0 H ASP A 23 103.777 1.655 8.460 1.00 0.00 H new ATOM 0 HA ASP A 23 105.070 -0.477 9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.735 1.322 11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.012 1.073 11.528 1.00 0.00 H new ATOM 388 N LEU A 24 101.980 -0.696 10.246 1.00 0.00 N ATOM 389 CA LEU A 24 100.740 -1.374 9.776 1.00 0.00 C ATOM 390 C LEU A 24 99.549 -0.902 10.613 1.00 0.00 C ATOM 391 O LEU A 24 99.676 -0.628 11.791 1.00 0.00 O ATOM 392 CB LEU A 24 100.900 -2.890 9.924 1.00 0.00 C ATOM 393 CG LEU A 24 99.979 -3.601 8.933 1.00 0.00 C ATOM 394 CD1 LEU A 24 100.672 -3.705 7.572 1.00 0.00 C ATOM 395 CD2 LEU A 24 99.662 -5.006 9.450 1.00 0.00 C ATOM 0 H LEU A 24 101.977 -0.415 11.227 1.00 0.00 H new ATOM 0 HA LEU A 24 100.567 -1.127 8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.936 -3.176 9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.659 -3.194 10.943 1.00 0.00 H new ATOM 0 HG LEU A 24 99.055 -3.033 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.014 -4.212 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.899 -2.705 7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 24 101.597 -4.272 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 24 99.005 -5.514 8.744 1.00 0.00 H new ATOM 0 HD22 LEU A 24 100.587 -5.572 9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.167 -4.934 10.419 1.00 0.00 H new ATOM 407 N VAL A 25 98.394 -0.805 10.013 1.00 0.00 N ATOM 408 CA VAL A 25 97.191 -0.350 10.768 1.00 0.00 C ATOM 409 C VAL A 25 96.051 -1.352 10.550 1.00 0.00 C ATOM 410 O VAL A 25 95.793 -1.767 9.438 1.00 0.00 O ATOM 411 CB VAL A 25 96.763 1.026 10.254 1.00 0.00 C ATOM 412 CG1 VAL A 25 95.909 1.728 11.311 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.007 1.869 9.963 1.00 0.00 C ATOM 0 H VAL A 25 98.231 -1.022 9.030 1.00 0.00 H new ATOM 0 HA VAL A 25 97.425 -0.286 11.831 1.00 0.00 H new ATOM 0 HB VAL A 25 96.180 0.906 9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 25 95.606 2.708 10.942 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.023 1.129 11.520 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.489 1.849 12.226 1.00 0.00 H new ATOM 0 HG21 VAL A 25 97.704 2.850 9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 25 98.589 1.987 10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 25 98.615 1.371 9.208 1.00 0.00 H new ATOM 423 N PRO A 26 95.371 -1.741 11.600 1.00 0.00 N ATOM 424 CA PRO A 26 94.242 -2.712 11.506 1.00 0.00 C ATOM 425 C PRO A 26 93.002 -2.095 10.850 1.00 0.00 C ATOM 426 O PRO A 26 92.729 -0.920 10.997 1.00 0.00 O ATOM 427 CB PRO A 26 93.951 -3.079 12.964 1.00 0.00 C ATOM 428 CG PRO A 26 94.444 -1.926 13.771 1.00 0.00 C ATOM 429 CD PRO A 26 95.600 -1.301 12.988 1.00 0.00 C ATOM 0 HA PRO A 26 94.498 -3.571 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 26 92.885 -3.242 13.122 1.00 0.00 H new ATOM 0 HB3 PRO A 26 94.459 -4.001 13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 26 93.648 -1.199 13.932 1.00 0.00 H new ATOM 0 HG3 PRO A 26 94.777 -2.257 14.755 1.00 0.00 H new ATOM 0 HD2 PRO A 26 95.594 -0.214 13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 26 96.565 -1.643 13.361 1.00 0.00 H new ATOM 437 N VAL A 27 92.253 -2.882 10.127 1.00 0.00 N ATOM 438 CA VAL A 27 91.031 -2.347 9.459 1.00 0.00 C ATOM 439 C VAL A 27 89.789 -2.829 10.219 1.00 0.00 C ATOM 440 O VAL A 27 89.413 -3.981 10.130 1.00 0.00 O ATOM 441 CB VAL A 27 90.978 -2.859 8.020 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.754 -2.274 7.314 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.246 -2.426 7.279 1.00 0.00 C ATOM 0 H VAL A 27 92.434 -3.873 9.969 1.00 0.00 H new ATOM 0 HA VAL A 27 91.058 -1.257 9.457 1.00 0.00 H new ATOM 0 HB VAL A 27 90.910 -3.947 8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.717 -2.639 6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 27 88.850 -2.579 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 27 89.822 -1.186 7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.210 -2.790 6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.312 -1.338 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.120 -2.841 7.781 1.00 0.00 H new ATOM 453 N PRO A 28 89.153 -1.957 10.963 1.00 0.00 N ATOM 454 CA PRO A 28 87.937 -2.312 11.750 1.00 0.00 C ATOM 455 C PRO A 28 86.910 -3.087 10.918 1.00 0.00 C ATOM 456 O PRO A 28 86.518 -2.670 9.846 1.00 0.00 O ATOM 457 CB PRO A 28 87.369 -0.956 12.172 1.00 0.00 C ATOM 458 CG PRO A 28 88.537 -0.026 12.188 1.00 0.00 C ATOM 459 CD PRO A 28 89.524 -0.542 11.138 1.00 0.00 C ATOM 0 HA PRO A 28 88.176 -2.965 12.589 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.605 -0.615 11.473 1.00 0.00 H new ATOM 0 HB3 PRO A 28 86.900 -1.015 13.154 1.00 0.00 H new ATOM 0 HG2 PRO A 28 88.224 0.992 11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 28 88.999 -0.002 13.175 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.437 0.012 10.203 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.555 -0.439 11.475 1.00 0.00 H new ATOM 467 N THR A 29 86.470 -4.213 11.410 1.00 0.00 N ATOM 468 CA THR A 29 85.469 -5.015 10.654 1.00 0.00 C ATOM 469 C THR A 29 84.093 -4.367 10.795 1.00 0.00 C ATOM 470 O THR A 29 83.123 -4.806 10.209 1.00 0.00 O ATOM 471 CB THR A 29 85.424 -6.438 11.215 1.00 0.00 C ATOM 472 OG1 THR A 29 86.732 -6.832 11.607 1.00 0.00 O ATOM 473 CG2 THR A 29 84.899 -7.395 10.143 1.00 0.00 C ATOM 0 H THR A 29 86.761 -4.611 12.303 1.00 0.00 H new ATOM 0 HA THR A 29 85.750 -5.051 9.601 1.00 0.00 H new ATOM 0 HB THR A 29 84.761 -6.468 12.080 1.00 0.00 H new ATOM 0 HG1 THR A 29 86.705 -7.743 11.968 1.00 0.00 H new ATOM 0 HG21 THR A 29 84.867 -8.408 10.544 1.00 0.00 H new ATOM 0 HG22 THR A 29 83.896 -7.092 9.844 1.00 0.00 H new ATOM 0 HG23 THR A 29 85.559 -7.368 9.276 1.00 0.00 H new ATOM 481 N ASN A 30 83.998 -3.321 11.569 1.00 0.00 N ATOM 482 CA ASN A 30 82.685 -2.642 11.749 1.00 0.00 C ATOM 483 C ASN A 30 82.390 -1.775 10.523 1.00 0.00 C ATOM 484 O ASN A 30 81.273 -1.343 10.313 1.00 0.00 O ATOM 485 CB ASN A 30 82.731 -1.761 13.000 1.00 0.00 C ATOM 486 CG ASN A 30 81.312 -1.548 13.527 1.00 0.00 C ATOM 487 OD1 ASN A 30 81.125 -1.146 14.658 1.00 0.00 O ATOM 488 ND2 ASN A 30 80.294 -1.801 12.748 1.00 0.00 N ATOM 0 H ASN A 30 84.774 -2.907 12.085 1.00 0.00 H new ATOM 0 HA ASN A 30 81.901 -3.390 11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 30 83.348 -2.231 13.766 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.191 -0.801 12.765 1.00 0.00 H new ATOM 0 HD21 ASN A 30 79.343 -1.661 13.090 1.00 0.00 H new ATOM 0 HD22 ASN A 30 80.450 -2.139 11.798 1.00 0.00 H new ATOM 495 N LEU A 31 83.379 -1.515 9.714 1.00 0.00 N ATOM 496 CA LEU A 31 83.146 -0.675 8.506 1.00 0.00 C ATOM 497 C LEU A 31 84.208 -0.975 7.442 1.00 0.00 C ATOM 498 O LEU A 31 84.345 -0.254 6.474 1.00 0.00 O ATOM 499 CB LEU A 31 83.216 0.806 8.892 1.00 0.00 C ATOM 500 CG LEU A 31 84.388 1.034 9.850 1.00 0.00 C ATOM 501 CD1 LEU A 31 85.705 0.729 9.134 1.00 0.00 C ATOM 502 CD2 LEU A 31 84.389 2.494 10.312 1.00 0.00 C ATOM 0 H LEU A 31 84.336 -1.847 9.836 1.00 0.00 H new ATOM 0 HA LEU A 31 82.161 -0.903 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 31 83.339 1.419 7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 31 82.283 1.113 9.364 1.00 0.00 H new ATOM 0 HG LEU A 31 84.284 0.375 10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 31 86.538 0.892 9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 31 85.707 -0.309 8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 31 85.811 1.386 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 31 85.223 2.659 10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 84.493 3.149 9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 83.452 2.714 10.824 1.00 0.00 H new ATOM 514 N TYR A 32 84.958 -2.030 7.609 1.00 0.00 N ATOM 515 CA TYR A 32 86.002 -2.363 6.600 1.00 0.00 C ATOM 516 C TYR A 32 85.426 -2.180 5.194 1.00 0.00 C ATOM 517 O TYR A 32 84.228 -2.114 5.008 1.00 0.00 O ATOM 518 CB TYR A 32 86.445 -3.817 6.782 1.00 0.00 C ATOM 519 CG TYR A 32 85.324 -4.739 6.366 1.00 0.00 C ATOM 520 CD1 TYR A 32 85.402 -5.430 5.150 1.00 0.00 C ATOM 521 CD2 TYR A 32 84.208 -4.902 7.192 1.00 0.00 C ATOM 522 CE1 TYR A 32 84.364 -6.286 4.763 1.00 0.00 C ATOM 523 CE2 TYR A 32 83.168 -5.758 6.806 1.00 0.00 C ATOM 524 CZ TYR A 32 83.247 -6.449 5.590 1.00 0.00 C ATOM 525 OH TYR A 32 82.223 -7.293 5.209 1.00 0.00 O ATOM 0 H TYR A 32 84.893 -2.673 8.398 1.00 0.00 H new ATOM 0 HA TYR A 32 86.859 -1.703 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.334 -4.015 6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 32 86.713 -3.999 7.823 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.263 -5.302 4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 32 84.147 -4.368 8.129 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.425 -6.820 3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 32 82.307 -5.885 7.445 1.00 0.00 H new ATOM 0 HH TYR A 32 81.796 -7.670 6.006 1.00 0.00 H new ATOM 535 N GLY A 33 86.272 -2.098 4.201 1.00 0.00 N ATOM 536 CA GLY A 33 85.773 -1.920 2.806 1.00 0.00 C ATOM 537 C GLY A 33 86.164 -0.533 2.293 1.00 0.00 C ATOM 538 O GLY A 33 85.935 -0.197 1.148 1.00 0.00 O ATOM 0 H GLY A 33 87.286 -2.147 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 33 86.192 -2.690 2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.690 -2.036 2.779 1.00 0.00 H new ATOM 542 N ASP A 34 86.752 0.278 3.131 1.00 0.00 N ATOM 543 CA ASP A 34 87.157 1.641 2.688 1.00 0.00 C ATOM 544 C ASP A 34 88.630 1.627 2.275 1.00 0.00 C ATOM 545 O ASP A 34 89.517 1.640 3.105 1.00 0.00 O ATOM 546 CB ASP A 34 86.959 2.632 3.839 1.00 0.00 C ATOM 547 CG ASP A 34 85.468 2.927 4.009 1.00 0.00 C ATOM 548 OD1 ASP A 34 85.056 4.018 3.649 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.763 2.058 4.494 1.00 0.00 O ATOM 0 H ASP A 34 86.969 0.055 4.102 1.00 0.00 H new ATOM 0 HA ASP A 34 86.545 1.943 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 34 87.366 2.219 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 34 87.502 3.555 3.636 1.00 0.00 H new ATOM 554 N PHE A 35 88.898 1.601 0.999 1.00 0.00 N ATOM 555 CA PHE A 35 90.314 1.585 0.535 1.00 0.00 C ATOM 556 C PHE A 35 90.758 3.010 0.200 1.00 0.00 C ATOM 557 O PHE A 35 90.143 3.691 -0.597 1.00 0.00 O ATOM 558 CB PHE A 35 90.433 0.706 -0.711 1.00 0.00 C ATOM 559 CG PHE A 35 90.482 -0.746 -0.299 1.00 0.00 C ATOM 560 CD1 PHE A 35 91.661 -1.482 -0.464 1.00 0.00 C ATOM 561 CD2 PHE A 35 89.346 -1.356 0.246 1.00 0.00 C ATOM 562 CE1 PHE A 35 91.706 -2.829 -0.081 1.00 0.00 C ATOM 563 CE2 PHE A 35 89.390 -2.702 0.629 1.00 0.00 C ATOM 564 CZ PHE A 35 90.570 -3.438 0.464 1.00 0.00 C ATOM 0 H PHE A 35 88.198 1.590 0.257 1.00 0.00 H new ATOM 0 HA PHE A 35 90.950 1.183 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.585 0.879 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.332 0.967 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 35 92.536 -1.011 -0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 35 88.436 -0.788 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 35 92.616 -3.397 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 35 88.514 -3.172 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.603 -4.477 0.758 1.00 0.00 H new ATOM 574 N PHE A 36 91.821 3.467 0.802 1.00 0.00 N ATOM 575 CA PHE A 36 92.303 4.849 0.518 1.00 0.00 C ATOM 576 C PHE A 36 93.332 4.807 -0.613 1.00 0.00 C ATOM 577 O PHE A 36 94.081 3.860 -0.750 1.00 0.00 O ATOM 578 CB PHE A 36 92.952 5.432 1.776 1.00 0.00 C ATOM 579 CG PHE A 36 91.884 6.015 2.670 1.00 0.00 C ATOM 580 CD1 PHE A 36 90.836 5.207 3.127 1.00 0.00 C ATOM 581 CD2 PHE A 36 91.942 7.363 3.042 1.00 0.00 C ATOM 582 CE1 PHE A 36 89.846 5.747 3.956 1.00 0.00 C ATOM 583 CE2 PHE A 36 90.952 7.903 3.871 1.00 0.00 C ATOM 584 CZ PHE A 36 89.904 7.096 4.329 1.00 0.00 C ATOM 0 H PHE A 36 92.377 2.944 1.478 1.00 0.00 H new ATOM 0 HA PHE A 36 91.461 5.474 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.502 4.655 2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.673 6.203 1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.791 4.167 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 36 92.750 7.986 2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 36 89.037 5.124 4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 36 90.997 8.943 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.141 7.513 4.969 1.00 0.00 H new ATOM 594 N THR A 37 93.375 5.827 -1.427 1.00 0.00 N ATOM 595 CA THR A 37 94.356 5.845 -2.548 1.00 0.00 C ATOM 596 C THR A 37 95.701 6.366 -2.039 1.00 0.00 C ATOM 597 O THR A 37 96.721 6.209 -2.680 1.00 0.00 O ATOM 598 CB THR A 37 93.840 6.759 -3.662 1.00 0.00 C ATOM 599 OG1 THR A 37 94.028 8.115 -3.283 1.00 0.00 O ATOM 600 CG2 THR A 37 92.353 6.494 -3.894 1.00 0.00 C ATOM 0 H THR A 37 92.773 6.648 -1.364 1.00 0.00 H new ATOM 0 HA THR A 37 94.483 4.835 -2.938 1.00 0.00 H new ATOM 0 HB THR A 37 94.390 6.558 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.161 8.571 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.987 7.145 -4.687 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.210 5.453 -4.184 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.800 6.694 -2.976 1.00 0.00 H new ATOM 608 N GLY A 38 95.711 6.985 -0.890 1.00 0.00 N ATOM 609 CA GLY A 38 96.991 7.512 -0.340 1.00 0.00 C ATOM 610 C GLY A 38 97.617 6.470 0.585 1.00 0.00 C ATOM 611 O GLY A 38 98.408 6.789 1.451 1.00 0.00 O ATOM 0 H GLY A 38 94.889 7.148 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.677 7.751 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.810 8.437 0.207 1.00 0.00 H new ATOM 615 N ASP A 39 97.270 5.224 0.412 1.00 0.00 N ATOM 616 CA ASP A 39 97.844 4.161 1.283 1.00 0.00 C ATOM 617 C ASP A 39 97.597 2.791 0.646 1.00 0.00 C ATOM 618 O ASP A 39 96.633 2.592 -0.064 1.00 0.00 O ATOM 619 CB ASP A 39 97.177 4.212 2.658 1.00 0.00 C ATOM 620 CG ASP A 39 97.576 2.976 3.465 1.00 0.00 C ATOM 621 OD1 ASP A 39 98.464 3.094 4.294 1.00 0.00 O ATOM 622 OD2 ASP A 39 96.989 1.930 3.242 1.00 0.00 O ATOM 0 H ASP A 39 96.613 4.896 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 39 98.916 4.322 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.477 5.117 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 39 96.093 4.253 2.547 1.00 0.00 H new ATOM 627 N ALA A 40 98.463 1.848 0.896 1.00 0.00 N ATOM 628 CA ALA A 40 98.278 0.492 0.305 1.00 0.00 C ATOM 629 C ALA A 40 97.502 -0.391 1.284 1.00 0.00 C ATOM 630 O ALA A 40 97.544 -0.189 2.482 1.00 0.00 O ATOM 631 CB ALA A 40 99.646 -0.135 0.030 1.00 0.00 C ATOM 0 H ALA A 40 99.290 1.957 1.483 1.00 0.00 H new ATOM 0 HA ALA A 40 97.721 0.576 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.512 -1.127 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.200 0.493 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.202 -0.219 0.964 1.00 0.00 H new ATOM 637 N TYR A 41 96.795 -1.368 0.784 1.00 0.00 N ATOM 638 CA TYR A 41 96.017 -2.268 1.685 1.00 0.00 C ATOM 639 C TYR A 41 96.419 -3.720 1.420 1.00 0.00 C ATOM 640 O TYR A 41 96.529 -4.146 0.286 1.00 0.00 O ATOM 641 CB TYR A 41 94.521 -2.095 1.412 1.00 0.00 C ATOM 642 CG TYR A 41 94.027 -0.838 2.086 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.416 0.416 1.601 1.00 0.00 C ATOM 644 CD2 TYR A 41 93.177 -0.928 3.196 1.00 0.00 C ATOM 645 CE1 TYR A 41 93.955 1.581 2.225 1.00 0.00 C ATOM 646 CE2 TYR A 41 92.717 0.238 3.821 1.00 0.00 C ATOM 647 CZ TYR A 41 93.106 1.493 3.336 1.00 0.00 C ATOM 648 OH TYR A 41 92.653 2.641 3.950 1.00 0.00 O ATOM 0 H TYR A 41 96.722 -1.583 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 41 96.227 -2.015 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.341 -2.039 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 41 93.971 -2.959 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 41 95.072 0.485 0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 41 92.877 -1.896 3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 41 94.254 2.549 1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 41 92.062 0.169 4.677 1.00 0.00 H new ATOM 0 HH TYR A 41 92.073 2.402 4.703 1.00 0.00 H new ATOM 658 N VAL A 42 96.642 -4.484 2.456 1.00 0.00 N ATOM 659 CA VAL A 42 97.038 -5.904 2.268 1.00 0.00 C ATOM 660 C VAL A 42 95.881 -6.807 2.706 1.00 0.00 C ATOM 661 O VAL A 42 95.165 -6.502 3.640 1.00 0.00 O ATOM 662 CB VAL A 42 98.266 -6.191 3.128 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.269 -7.030 2.330 1.00 0.00 C ATOM 664 CG2 VAL A 42 98.929 -4.873 3.535 1.00 0.00 C ATOM 0 H VAL A 42 96.566 -4.181 3.427 1.00 0.00 H new ATOM 0 HA VAL A 42 97.271 -6.095 1.221 1.00 0.00 H new ATOM 0 HB VAL A 42 97.957 -6.737 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.145 -7.233 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 42 98.804 -7.972 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.573 -6.483 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 42 99.805 -5.081 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.233 -4.327 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.222 -4.271 4.105 1.00 0.00 H new ATOM 674 N ILE A 43 95.680 -7.911 2.039 1.00 0.00 N ATOM 675 CA ILE A 43 94.555 -8.815 2.424 1.00 0.00 C ATOM 676 C ILE A 43 94.978 -10.276 2.247 1.00 0.00 C ATOM 677 O ILE A 43 95.353 -10.698 1.170 1.00 0.00 O ATOM 678 CB ILE A 43 93.336 -8.531 1.540 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.482 -7.156 0.883 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.073 -8.548 2.399 1.00 0.00 C ATOM 681 CD1 ILE A 43 94.682 -7.168 -0.066 1.00 0.00 C ATOM 0 H ILE A 43 96.242 -8.226 1.248 1.00 0.00 H new ATOM 0 HA ILE A 43 94.298 -8.635 3.468 1.00 0.00 H new ATOM 0 HB ILE A 43 93.266 -9.296 0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 43 92.574 -6.905 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 43 93.616 -6.389 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.204 -8.346 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 43 91.964 -9.527 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.148 -7.783 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 43 94.786 -6.189 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 43 95.587 -7.400 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.529 -7.924 -0.836 1.00 0.00 H new ATOM 693 N LEU A 44 94.925 -11.052 3.298 1.00 0.00 N ATOM 694 CA LEU A 44 95.327 -12.483 3.193 1.00 0.00 C ATOM 695 C LEU A 44 94.097 -13.374 3.357 1.00 0.00 C ATOM 696 O LEU A 44 93.386 -13.294 4.339 1.00 0.00 O ATOM 697 CB LEU A 44 96.347 -12.815 4.286 1.00 0.00 C ATOM 698 CG LEU A 44 96.866 -14.248 4.090 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.361 -14.302 4.408 1.00 0.00 C ATOM 700 CD2 LEU A 44 96.114 -15.201 5.025 1.00 0.00 C ATOM 0 H LEU A 44 94.620 -10.755 4.225 1.00 0.00 H new ATOM 0 HA LEU A 44 95.775 -12.659 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.177 -12.109 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.887 -12.716 5.269 1.00 0.00 H new ATOM 0 HG LEU A 44 96.703 -14.549 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.726 -15.319 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.899 -13.628 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.524 -13.997 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.484 -16.216 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 44 96.274 -14.897 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 44 95.048 -15.168 4.798 1.00 0.00 H new ATOM 712 N LYS A 45 93.844 -14.230 2.405 1.00 0.00 N ATOM 713 CA LYS A 45 92.662 -15.130 2.510 1.00 0.00 C ATOM 714 C LYS A 45 93.125 -16.521 2.955 1.00 0.00 C ATOM 715 O LYS A 45 94.154 -17.007 2.530 1.00 0.00 O ATOM 716 CB LYS A 45 91.970 -15.231 1.151 1.00 0.00 C ATOM 717 CG LYS A 45 90.677 -16.038 1.293 1.00 0.00 C ATOM 718 CD LYS A 45 90.148 -16.400 -0.097 1.00 0.00 C ATOM 719 CE LYS A 45 88.655 -16.721 -0.007 1.00 0.00 C ATOM 720 NZ LYS A 45 88.366 -17.386 1.295 1.00 0.00 N ATOM 0 H LYS A 45 94.404 -14.345 1.560 1.00 0.00 H new ATOM 0 HA LYS A 45 91.960 -14.727 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.749 -14.234 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.632 -15.709 0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.862 -16.943 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 45 89.932 -15.459 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 45 90.312 -15.572 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 45 90.692 -17.258 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 45 88.070 -15.806 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 45 88.362 -17.370 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.829 -18.261 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 89.260 -17.615 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 87.806 -16.747 1.895 1.00 0.00 H new ATOM 734 N THR A 46 92.376 -17.161 3.811 1.00 0.00 N ATOM 735 CA THR A 46 92.780 -18.516 4.285 1.00 0.00 C ATOM 736 C THR A 46 91.548 -19.419 4.366 1.00 0.00 C ATOM 737 O THR A 46 90.586 -19.111 5.040 1.00 0.00 O ATOM 738 CB THR A 46 93.418 -18.398 5.672 1.00 0.00 C ATOM 739 OG1 THR A 46 94.577 -17.582 5.590 1.00 0.00 O ATOM 740 CG2 THR A 46 93.803 -19.788 6.180 1.00 0.00 C ATOM 0 H THR A 46 91.504 -16.806 4.202 1.00 0.00 H new ATOM 0 HA THR A 46 93.498 -18.946 3.587 1.00 0.00 H new ATOM 0 HB THR A 46 92.705 -17.948 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 46 95.368 -18.148 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.257 -19.702 7.167 1.00 0.00 H new ATOM 0 HG22 THR A 46 92.911 -20.412 6.244 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.515 -20.243 5.492 1.00 0.00 H new ATOM 748 N VAL A 47 91.567 -20.536 3.682 1.00 0.00 N ATOM 749 CA VAL A 47 90.399 -21.455 3.723 1.00 0.00 C ATOM 750 C VAL A 47 90.887 -22.859 4.065 1.00 0.00 C ATOM 751 O VAL A 47 92.063 -23.136 4.041 1.00 0.00 O ATOM 752 CB VAL A 47 89.729 -21.483 2.355 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.219 -21.661 2.524 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.012 -20.172 1.618 1.00 0.00 C ATOM 0 H VAL A 47 92.343 -20.847 3.098 1.00 0.00 H new ATOM 0 HA VAL A 47 89.687 -21.112 4.473 1.00 0.00 H new ATOM 0 HB VAL A 47 90.127 -22.316 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.743 -21.681 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 47 88.019 -22.598 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.818 -20.831 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.532 -20.194 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.618 -19.337 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.088 -20.050 1.492 1.00 0.00 H new ATOM 764 N GLN A 48 89.986 -23.743 4.372 1.00 0.00 N ATOM 765 CA GLN A 48 90.387 -25.137 4.712 1.00 0.00 C ATOM 766 C GLN A 48 90.090 -26.056 3.524 1.00 0.00 C ATOM 767 O GLN A 48 88.951 -26.343 3.218 1.00 0.00 O ATOM 768 CB GLN A 48 89.598 -25.613 5.934 1.00 0.00 C ATOM 769 CG GLN A 48 90.124 -26.978 6.383 1.00 0.00 C ATOM 770 CD GLN A 48 89.426 -27.392 7.681 1.00 0.00 C ATOM 771 OE1 GLN A 48 89.909 -27.111 8.759 1.00 0.00 O ATOM 772 NE2 GLN A 48 88.303 -28.053 7.622 1.00 0.00 N ATOM 0 H GLN A 48 88.983 -23.562 4.403 1.00 0.00 H new ATOM 0 HA GLN A 48 91.453 -25.164 4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.693 -24.891 6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.538 -25.682 5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 48 89.944 -27.722 5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 48 91.202 -26.932 6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 48 87.897 -28.289 6.716 1.00 0.00 H new ATOM 0 HE22 GLN A 48 87.831 -28.334 8.481 1.00 0.00 H new ATOM 781 N LEU A 49 91.109 -26.519 2.851 1.00 0.00 N ATOM 782 CA LEU A 49 90.884 -27.419 1.683 1.00 0.00 C ATOM 783 C LEU A 49 90.439 -28.796 2.176 1.00 0.00 C ATOM 784 O LEU A 49 90.503 -29.096 3.352 1.00 0.00 O ATOM 785 CB LEU A 49 92.186 -27.560 0.890 1.00 0.00 C ATOM 786 CG LEU A 49 92.610 -26.191 0.356 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.123 -26.181 0.126 1.00 0.00 C ATOM 788 CD2 LEU A 49 91.892 -25.915 -0.967 1.00 0.00 C ATOM 0 H LEU A 49 92.086 -26.313 3.059 1.00 0.00 H new ATOM 0 HA LEU A 49 90.110 -26.995 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 49 92.969 -27.972 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 49 92.047 -28.257 0.064 1.00 0.00 H new ATOM 0 HG LEU A 49 92.346 -25.420 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.427 -25.206 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.635 -26.379 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.386 -26.951 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.194 -24.939 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.156 -26.685 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 49 90.814 -25.924 -0.805 1.00 0.00 H new ATOM 800 N ARG A 50 89.989 -29.639 1.286 1.00 0.00 N ATOM 801 CA ARG A 50 89.544 -30.997 1.705 1.00 0.00 C ATOM 802 C ARG A 50 90.548 -31.570 2.707 1.00 0.00 C ATOM 803 O ARG A 50 90.262 -31.702 3.881 1.00 0.00 O ATOM 804 CB ARG A 50 89.465 -31.911 0.481 1.00 0.00 C ATOM 805 CG ARG A 50 88.486 -33.054 0.757 1.00 0.00 C ATOM 806 CD ARG A 50 87.068 -32.616 0.388 1.00 0.00 C ATOM 807 NE ARG A 50 86.987 -32.383 -1.081 1.00 0.00 N ATOM 808 CZ ARG A 50 86.789 -33.388 -1.890 1.00 0.00 C ATOM 809 NH1 ARG A 50 86.718 -33.184 -3.178 1.00 0.00 N ATOM 810 NH2 ARG A 50 86.663 -34.595 -1.412 1.00 0.00 N ATOM 0 H ARG A 50 89.911 -29.445 0.288 1.00 0.00 H new ATOM 0 HA ARG A 50 88.560 -30.931 2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 50 89.140 -31.342 -0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 50 90.452 -32.312 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 50 88.767 -33.935 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 50 88.528 -33.336 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 50 86.351 -33.381 0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 50 86.805 -31.705 0.927 1.00 0.00 H new ATOM 0 HE ARG A 50 87.086 -31.439 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 50 86.817 -32.240 -3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 50 86.563 -33.969 -3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 50 86.719 -34.754 -0.406 1.00 0.00 H new ATOM 0 HH22 ARG A 50 86.508 -35.380 -2.044 1.00 0.00 H new ATOM 824 N ASN A 51 91.724 -31.910 2.254 1.00 0.00 N ATOM 825 CA ASN A 51 92.744 -32.471 3.183 1.00 0.00 C ATOM 826 C ASN A 51 92.913 -31.527 4.374 1.00 0.00 C ATOM 827 O ASN A 51 93.198 -31.946 5.479 1.00 0.00 O ATOM 828 CB ASN A 51 94.080 -32.613 2.451 1.00 0.00 C ATOM 829 CG ASN A 51 94.042 -33.856 1.559 1.00 0.00 C ATOM 830 OD1 ASN A 51 95.051 -34.261 1.018 1.00 0.00 O ATOM 831 ND2 ASN A 51 92.911 -34.482 1.382 1.00 0.00 N ATOM 0 H ASN A 51 92.022 -31.823 1.282 1.00 0.00 H new ATOM 0 HA ASN A 51 92.419 -33.450 3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.273 -31.725 1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 51 94.895 -32.693 3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.874 -35.311 0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.063 -34.142 1.836 1.00 0.00 H new ATOM 838 N GLY A 52 92.730 -30.252 4.159 1.00 0.00 N ATOM 839 CA GLY A 52 92.873 -29.278 5.278 1.00 0.00 C ATOM 840 C GLY A 52 94.261 -28.635 5.232 1.00 0.00 C ATOM 841 O GLY A 52 94.863 -28.369 6.252 1.00 0.00 O ATOM 0 H GLY A 52 92.488 -29.843 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 52 92.104 -28.509 5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 52 92.728 -29.783 6.233 1.00 0.00 H new ATOM 845 N ASN A 53 94.775 -28.380 4.059 1.00 0.00 N ATOM 846 CA ASN A 53 96.122 -27.751 3.966 1.00 0.00 C ATOM 847 C ASN A 53 95.978 -26.240 4.089 1.00 0.00 C ATOM 848 O ASN A 53 96.890 -25.484 3.815 1.00 0.00 O ATOM 849 CB ASN A 53 96.766 -28.104 2.623 1.00 0.00 C ATOM 850 CG ASN A 53 98.288 -28.132 2.777 1.00 0.00 C ATOM 851 OD1 ASN A 53 98.861 -27.275 3.421 1.00 0.00 O ATOM 852 ND2 ASN A 53 98.972 -29.088 2.209 1.00 0.00 N ATOM 0 H ASN A 53 94.323 -28.579 3.167 1.00 0.00 H new ATOM 0 HA ASN A 53 96.756 -28.123 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 53 96.407 -29.074 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 53 96.480 -27.372 1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 53 99.987 -29.116 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 53 98.491 -29.807 1.669 1.00 0.00 H new ATOM 859 N LEU A 54 94.832 -25.804 4.505 1.00 0.00 N ATOM 860 CA LEU A 54 94.582 -24.352 4.666 1.00 0.00 C ATOM 861 C LEU A 54 95.128 -23.605 3.451 1.00 0.00 C ATOM 862 O LEU A 54 96.302 -23.306 3.363 1.00 0.00 O ATOM 863 CB LEU A 54 95.259 -23.848 5.941 1.00 0.00 C ATOM 864 CG LEU A 54 94.292 -23.980 7.124 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.981 -23.502 8.401 1.00 0.00 C ATOM 866 CD2 LEU A 54 93.040 -23.127 6.869 1.00 0.00 C ATOM 0 H LEU A 54 94.042 -26.403 4.745 1.00 0.00 H new ATOM 0 HA LEU A 54 93.509 -24.174 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 54 96.166 -24.421 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.559 -22.807 5.818 1.00 0.00 H new ATOM 0 HG LEU A 54 94.000 -25.024 7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 54 94.294 -23.596 9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.866 -24.110 8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 54 95.275 -22.459 8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.356 -23.224 7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.329 -22.082 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.546 -23.469 5.960 1.00 0.00 H new ATOM 878 N GLN A 55 94.276 -23.299 2.514 1.00 0.00 N ATOM 879 CA GLN A 55 94.735 -22.569 1.297 1.00 0.00 C ATOM 880 C GLN A 55 95.067 -21.124 1.669 1.00 0.00 C ATOM 881 O GLN A 55 94.201 -20.355 2.029 1.00 0.00 O ATOM 882 CB GLN A 55 93.624 -22.580 0.244 1.00 0.00 C ATOM 883 CG GLN A 55 94.174 -22.057 -1.084 1.00 0.00 C ATOM 884 CD GLN A 55 93.012 -21.727 -2.025 1.00 0.00 C ATOM 885 OE1 GLN A 55 93.078 -22.000 -3.207 1.00 0.00 O ATOM 886 NE2 GLN A 55 91.946 -21.148 -1.546 1.00 0.00 N ATOM 0 H GLN A 55 93.281 -23.522 2.537 1.00 0.00 H new ATOM 0 HA GLN A 55 95.622 -23.057 0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.239 -23.592 0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.790 -21.960 0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 55 94.781 -21.168 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.824 -22.804 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 55 91.892 -20.919 -0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 55 91.166 -20.924 -2.164 1.00 0.00 H new ATOM 895 N TYR A 56 96.315 -20.750 1.592 1.00 0.00 N ATOM 896 CA TYR A 56 96.693 -19.355 1.950 1.00 0.00 C ATOM 897 C TYR A 56 96.834 -18.514 0.682 1.00 0.00 C ATOM 898 O TYR A 56 97.713 -18.731 -0.127 1.00 0.00 O ATOM 899 CB TYR A 56 98.025 -19.367 2.701 1.00 0.00 C ATOM 900 CG TYR A 56 97.836 -20.009 4.055 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.409 -19.235 5.142 1.00 0.00 C ATOM 902 CD2 TYR A 56 98.087 -21.375 4.223 1.00 0.00 C ATOM 903 CE1 TYR A 56 97.234 -19.831 6.397 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.913 -21.969 5.478 1.00 0.00 C ATOM 905 CZ TYR A 56 97.485 -21.197 6.565 1.00 0.00 C ATOM 906 OH TYR A 56 97.314 -21.783 7.802 1.00 0.00 O ATOM 0 H TYR A 56 97.087 -21.349 1.298 1.00 0.00 H new ATOM 0 HA TYR A 56 95.917 -18.924 2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.772 -19.916 2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.397 -18.349 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.215 -18.180 5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 56 98.415 -21.971 3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 56 96.905 -19.236 7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 56 98.109 -23.023 5.608 1.00 0.00 H new ATOM 0 HH TYR A 56 97.530 -22.737 7.745 1.00 0.00 H new ATOM 916 N ASP A 57 95.979 -17.542 0.514 1.00 0.00 N ATOM 917 CA ASP A 57 96.062 -16.665 -0.688 1.00 0.00 C ATOM 918 C ASP A 57 96.322 -15.234 -0.215 1.00 0.00 C ATOM 919 O ASP A 57 96.000 -14.879 0.901 1.00 0.00 O ATOM 920 CB ASP A 57 94.741 -16.726 -1.463 1.00 0.00 C ATOM 921 CG ASP A 57 94.854 -17.763 -2.583 1.00 0.00 C ATOM 922 OD1 ASP A 57 95.713 -18.624 -2.483 1.00 0.00 O ATOM 923 OD2 ASP A 57 94.076 -17.681 -3.520 1.00 0.00 O ATOM 0 H ASP A 57 95.223 -17.317 1.161 1.00 0.00 H new ATOM 0 HA ASP A 57 96.867 -16.996 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 57 93.924 -16.989 -0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.507 -15.747 -1.881 1.00 0.00 H new ATOM 928 N LEU A 58 96.909 -14.410 -1.038 1.00 0.00 N ATOM 929 CA LEU A 58 97.187 -13.015 -0.592 1.00 0.00 C ATOM 930 C LEU A 58 96.982 -12.030 -1.742 1.00 0.00 C ATOM 931 O LEU A 58 97.266 -12.320 -2.886 1.00 0.00 O ATOM 932 CB LEU A 58 98.634 -12.918 -0.097 1.00 0.00 C ATOM 933 CG LEU A 58 99.548 -13.739 -1.016 1.00 0.00 C ATOM 934 CD1 LEU A 58 100.914 -13.057 -1.119 1.00 0.00 C ATOM 935 CD2 LEU A 58 99.730 -15.147 -0.439 1.00 0.00 C ATOM 0 H LEU A 58 97.205 -14.637 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 58 96.498 -12.763 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 58 98.955 -11.877 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 58 98.704 -13.287 0.926 1.00 0.00 H new ATOM 0 HG LEU A 58 99.095 -13.807 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 58 101.564 -13.640 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 58 100.790 -12.055 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 58 101.362 -12.989 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.380 -15.727 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 58 100.180 -15.079 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 58 98.760 -15.637 -0.363 1.00 0.00 H new ATOM 947 N HIS A 59 96.493 -10.859 -1.436 1.00 0.00 N ATOM 948 CA HIS A 59 96.274 -9.836 -2.496 1.00 0.00 C ATOM 949 C HIS A 59 96.911 -8.518 -2.055 1.00 0.00 C ATOM 950 O HIS A 59 97.000 -8.226 -0.877 1.00 0.00 O ATOM 951 CB HIS A 59 94.769 -9.633 -2.704 1.00 0.00 C ATOM 952 CG HIS A 59 94.094 -10.971 -2.833 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.332 -11.311 -3.944 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.051 -12.063 -2.002 1.00 0.00 C ATOM 955 CE1 HIS A 59 92.871 -12.560 -3.752 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.280 -13.061 -2.586 1.00 0.00 N ATOM 0 H HIS A 59 96.235 -10.567 -0.493 1.00 0.00 H new ATOM 0 HA HIS A 59 96.726 -10.169 -3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.347 -9.080 -1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.592 -9.037 -3.599 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.541 -12.135 -1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.247 -13.091 -4.455 1.00 0.00 H new ATOM 0 HE2 HIS A 59 93.071 -13.983 -2.203 1.00 0.00 H new ATOM 964 N TYR A 60 97.357 -7.718 -2.986 1.00 0.00 N ATOM 965 CA TYR A 60 97.981 -6.416 -2.606 1.00 0.00 C ATOM 966 C TYR A 60 97.331 -5.288 -3.406 1.00 0.00 C ATOM 967 O TYR A 60 97.275 -5.319 -4.620 1.00 0.00 O ATOM 968 CB TYR A 60 99.491 -6.460 -2.874 1.00 0.00 C ATOM 969 CG TYR A 60 99.764 -6.379 -4.357 1.00 0.00 C ATOM 970 CD1 TYR A 60 99.762 -5.138 -5.005 1.00 0.00 C ATOM 971 CD2 TYR A 60 100.039 -7.546 -5.080 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.032 -5.064 -6.376 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.307 -7.472 -6.453 1.00 0.00 C ATOM 974 CZ TYR A 60 100.304 -6.231 -7.100 1.00 0.00 C ATOM 975 OH TYR A 60 100.572 -6.157 -8.452 1.00 0.00 O ATOM 0 H TYR A 60 97.317 -7.907 -3.988 1.00 0.00 H new ATOM 0 HA TYR A 60 97.824 -6.235 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.982 -5.633 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.912 -7.381 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 60 99.552 -4.238 -4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 60 100.045 -8.503 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 60 100.031 -4.107 -6.876 1.00 0.00 H new ATOM 0 HE2 TYR A 60 100.516 -8.372 -7.012 1.00 0.00 H new ATOM 0 HH TYR A 60 101.176 -6.885 -8.706 1.00 0.00 H new ATOM 985 N TRP A 61 96.822 -4.295 -2.727 1.00 0.00 N ATOM 986 CA TRP A 61 96.156 -3.160 -3.429 1.00 0.00 C ATOM 987 C TRP A 61 97.043 -1.916 -3.352 1.00 0.00 C ATOM 988 O TRP A 61 97.471 -1.513 -2.288 1.00 0.00 O ATOM 989 CB TRP A 61 94.814 -2.875 -2.751 1.00 0.00 C ATOM 990 CG TRP A 61 94.012 -1.934 -3.592 1.00 0.00 C ATOM 991 CD1 TRP A 61 93.050 -2.304 -4.468 1.00 0.00 C ATOM 992 CD2 TRP A 61 94.079 -0.481 -3.647 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.525 -1.170 -5.061 1.00 0.00 N ATOM 994 CE2 TRP A 61 93.126 -0.021 -4.588 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.865 0.475 -2.980 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.960 1.337 -4.857 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.701 1.844 -3.248 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.750 2.273 -4.184 1.00 0.00 C ATOM 0 H TRP A 61 96.839 -4.221 -1.710 1.00 0.00 H new ATOM 0 HA TRP A 61 95.994 -3.419 -4.475 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.265 -3.805 -2.605 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.979 -2.444 -1.763 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.742 -3.319 -4.671 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.784 -1.181 -5.762 1.00 0.00 H new ATOM 0 HE3 TRP A 61 95.600 0.155 -2.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 92.227 1.663 -5.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 95.311 2.570 -2.730 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.628 3.327 -4.385 1.00 0.00 H new ATOM 1009 N LEU A 62 97.319 -1.302 -4.471 1.00 0.00 N ATOM 1010 CA LEU A 62 98.177 -0.081 -4.465 1.00 0.00 C ATOM 1011 C LEU A 62 97.308 1.152 -4.718 1.00 0.00 C ATOM 1012 O LEU A 62 96.197 1.052 -5.201 1.00 0.00 O ATOM 1013 CB LEU A 62 99.235 -0.195 -5.564 1.00 0.00 C ATOM 1014 CG LEU A 62 99.917 -1.561 -5.474 1.00 0.00 C ATOM 1015 CD1 LEU A 62 101.073 -1.622 -6.475 1.00 0.00 C ATOM 1016 CD2 LEU A 62 100.459 -1.766 -4.057 1.00 0.00 C ATOM 0 H LEU A 62 96.987 -1.593 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 62 98.669 0.013 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.773 -0.071 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.973 0.600 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 62 99.195 -2.344 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 62 101.559 -2.596 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 62 100.689 -1.474 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.796 -0.840 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.945 -2.739 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.181 -0.983 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.637 -1.722 -3.343 1.00 0.00 H new ATOM 1028 N GLY A 63 97.805 2.317 -4.396 1.00 0.00 N ATOM 1029 CA GLY A 63 97.008 3.559 -4.617 1.00 0.00 C ATOM 1030 C GLY A 63 97.615 4.366 -5.765 1.00 0.00 C ATOM 1031 O GLY A 63 98.778 4.228 -6.090 1.00 0.00 O ATOM 0 H GLY A 63 98.729 2.462 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.974 3.302 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.992 4.159 -3.707 1.00 0.00 H new ATOM 1035 N ASN A 64 96.835 5.209 -6.383 1.00 0.00 N ATOM 1036 CA ASN A 64 97.361 6.029 -7.510 1.00 0.00 C ATOM 1037 C ASN A 64 98.091 7.250 -6.956 1.00 0.00 C ATOM 1038 O ASN A 64 98.789 7.945 -7.669 1.00 0.00 O ATOM 1039 CB ASN A 64 96.201 6.482 -8.400 1.00 0.00 C ATOM 1040 CG ASN A 64 96.746 7.303 -9.570 1.00 0.00 C ATOM 1041 OD1 ASN A 64 97.085 8.459 -9.411 1.00 0.00 O ATOM 1042 ND2 ASN A 64 96.845 6.750 -10.748 1.00 0.00 N ATOM 0 H ASN A 64 95.853 5.366 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 64 98.055 5.431 -8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.655 5.615 -8.773 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.496 7.078 -7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 64 97.207 7.288 -11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 64 96.560 5.780 -10.881 1.00 0.00 H new ATOM 1049 N GLU A 65 97.944 7.514 -5.687 1.00 0.00 N ATOM 1050 CA GLU A 65 98.635 8.679 -5.080 1.00 0.00 C ATOM 1051 C GLU A 65 99.720 8.146 -4.158 1.00 0.00 C ATOM 1052 O GLU A 65 100.032 8.725 -3.138 1.00 0.00 O ATOM 1053 CB GLU A 65 97.633 9.513 -4.280 1.00 0.00 C ATOM 1054 CG GLU A 65 96.220 9.239 -4.796 1.00 0.00 C ATOM 1055 CD GLU A 65 95.238 10.210 -4.139 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.585 10.770 -3.112 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.154 10.377 -4.673 1.00 0.00 O ATOM 0 H GLU A 65 97.371 6.968 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 65 99.071 9.312 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.700 9.265 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.868 10.573 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.189 9.352 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.934 8.211 -4.575 1.00 0.00 H new ATOM 1064 N CYS A 66 100.292 7.035 -4.522 1.00 0.00 N ATOM 1065 CA CYS A 66 101.351 6.436 -3.692 1.00 0.00 C ATOM 1066 C CYS A 66 102.542 6.104 -4.575 1.00 0.00 C ATOM 1067 O CYS A 66 102.596 5.090 -5.242 1.00 0.00 O ATOM 1068 CB CYS A 66 100.818 5.178 -3.023 1.00 0.00 C ATOM 1069 SG CYS A 66 100.598 3.869 -4.253 1.00 0.00 S ATOM 0 H CYS A 66 100.063 6.516 -5.370 1.00 0.00 H new ATOM 0 HA CYS A 66 101.664 7.137 -2.918 1.00 0.00 H new ATOM 0 HB2 CYS A 66 101.509 4.848 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 66 99.868 5.391 -2.533 1.00 0.00 H new ATOM 0 HG CYS A 66 99.833 4.299 -5.212 1.00 0.00 H new ATOM 1075 N SER A 67 103.486 6.974 -4.575 1.00 0.00 N ATOM 1076 CA SER A 67 104.710 6.773 -5.401 1.00 0.00 C ATOM 1077 C SER A 67 105.190 5.326 -5.271 1.00 0.00 C ATOM 1078 O SER A 67 104.704 4.572 -4.453 1.00 0.00 O ATOM 1079 CB SER A 67 105.808 7.720 -4.920 1.00 0.00 C ATOM 1080 OG SER A 67 105.244 8.998 -4.658 1.00 0.00 O ATOM 0 H SER A 67 103.474 7.837 -4.032 1.00 0.00 H new ATOM 0 HA SER A 67 104.479 6.982 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 67 106.276 7.325 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.590 7.803 -5.675 1.00 0.00 H new ATOM 0 HG SER A 67 105.946 9.608 -4.347 1.00 0.00 H new ATOM 1086 N GLN A 68 106.143 4.937 -6.073 1.00 0.00 N ATOM 1087 CA GLN A 68 106.657 3.541 -5.998 1.00 0.00 C ATOM 1088 C GLN A 68 107.343 3.319 -4.649 1.00 0.00 C ATOM 1089 O GLN A 68 107.554 2.200 -4.226 1.00 0.00 O ATOM 1090 CB GLN A 68 107.665 3.309 -7.126 1.00 0.00 C ATOM 1091 CG GLN A 68 106.936 3.323 -8.472 1.00 0.00 C ATOM 1092 CD GLN A 68 107.957 3.454 -9.605 1.00 0.00 C ATOM 1093 OE1 GLN A 68 107.598 3.448 -10.764 1.00 0.00 O ATOM 1094 NE2 GLN A 68 109.224 3.574 -9.314 1.00 0.00 N ATOM 0 H GLN A 68 106.588 5.526 -6.777 1.00 0.00 H new ATOM 0 HA GLN A 68 105.826 2.843 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 68 108.432 4.083 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.172 2.354 -6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 68 106.358 2.407 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 68 106.230 4.153 -8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 68 109.525 3.579 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 68 109.913 3.663 -10.061 1.00 0.00 H new ATOM 1103 N ASP A 69 107.693 4.377 -3.969 1.00 0.00 N ATOM 1104 CA ASP A 69 108.366 4.222 -2.648 1.00 0.00 C ATOM 1105 C ASP A 69 107.403 3.569 -1.658 1.00 0.00 C ATOM 1106 O ASP A 69 107.676 2.521 -1.109 1.00 0.00 O ATOM 1107 CB ASP A 69 108.786 5.597 -2.123 1.00 0.00 C ATOM 1108 CG ASP A 69 109.857 5.428 -1.045 1.00 0.00 C ATOM 1109 OD1 ASP A 69 109.543 4.860 -0.011 1.00 0.00 O ATOM 1110 OD2 ASP A 69 110.971 5.869 -1.269 1.00 0.00 O ATOM 0 H ASP A 69 107.542 5.340 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 69 109.249 3.593 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 69 109.171 6.208 -2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.922 6.121 -1.713 1.00 0.00 H new ATOM 1115 N GLU A 70 106.277 4.181 -1.429 1.00 0.00 N ATOM 1116 CA GLU A 70 105.293 3.595 -0.477 1.00 0.00 C ATOM 1117 C GLU A 70 104.804 2.254 -1.022 1.00 0.00 C ATOM 1118 O GLU A 70 104.754 1.263 -0.319 1.00 0.00 O ATOM 1119 CB GLU A 70 104.107 4.547 -0.315 1.00 0.00 C ATOM 1120 CG GLU A 70 103.264 4.113 0.885 1.00 0.00 C ATOM 1121 CD GLU A 70 102.057 5.041 1.024 1.00 0.00 C ATOM 1122 OE1 GLU A 70 101.568 5.502 0.006 1.00 0.00 O ATOM 1123 OE2 GLU A 70 101.641 5.274 2.147 1.00 0.00 O ATOM 0 H GLU A 70 105.994 5.062 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 70 105.767 3.444 0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 70 104.463 5.567 -0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 70 103.499 4.545 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 70 102.931 3.083 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 70 103.865 4.142 1.794 1.00 0.00 H new ATOM 1130 N SER A 71 104.448 2.216 -2.274 1.00 0.00 N ATOM 1131 CA SER A 71 103.967 0.941 -2.874 1.00 0.00 C ATOM 1132 C SER A 71 105.136 -0.042 -2.963 1.00 0.00 C ATOM 1133 O SER A 71 104.951 -1.242 -2.993 1.00 0.00 O ATOM 1134 CB SER A 71 103.413 1.213 -4.275 1.00 0.00 C ATOM 1135 OG SER A 71 104.012 2.391 -4.795 1.00 0.00 O ATOM 0 H SER A 71 104.469 3.014 -2.909 1.00 0.00 H new ATOM 0 HA SER A 71 103.178 0.515 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 71 103.618 0.367 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 71 102.330 1.329 -4.234 1.00 0.00 H new ATOM 0 HG SER A 71 103.574 3.178 -4.410 1.00 0.00 H new ATOM 1141 N GLY A 72 106.341 0.459 -3.002 1.00 0.00 N ATOM 1142 CA GLY A 72 107.521 -0.447 -3.083 1.00 0.00 C ATOM 1143 C GLY A 72 107.702 -1.159 -1.743 1.00 0.00 C ATOM 1144 O GLY A 72 108.083 -2.312 -1.686 1.00 0.00 O ATOM 0 H GLY A 72 106.559 1.455 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.380 -1.177 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.416 0.124 -3.329 1.00 0.00 H new ATOM 1148 N ALA A 73 107.429 -0.482 -0.661 1.00 0.00 N ATOM 1149 CA ALA A 73 107.580 -1.121 0.677 1.00 0.00 C ATOM 1150 C ALA A 73 106.448 -2.125 0.889 1.00 0.00 C ATOM 1151 O ALA A 73 106.655 -3.218 1.376 1.00 0.00 O ATOM 1152 CB ALA A 73 107.525 -0.048 1.766 1.00 0.00 C ATOM 0 H ALA A 73 107.108 0.486 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 73 108.539 -1.637 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.635 -0.516 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 73 108.333 0.668 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.567 0.470 1.718 1.00 0.00 H new ATOM 1158 N ALA A 74 105.251 -1.761 0.523 1.00 0.00 N ATOM 1159 CA ALA A 74 104.103 -2.694 0.698 1.00 0.00 C ATOM 1160 C ALA A 74 104.373 -3.979 -0.089 1.00 0.00 C ATOM 1161 O ALA A 74 104.199 -5.073 0.410 1.00 0.00 O ATOM 1162 CB ALA A 74 102.823 -2.036 0.178 1.00 0.00 C ATOM 0 H ALA A 74 105.018 -0.858 0.110 1.00 0.00 H new ATOM 0 HA ALA A 74 103.983 -2.930 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.984 -2.720 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.633 -1.119 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.939 -1.800 -0.880 1.00 0.00 H new ATOM 1168 N ALA A 75 104.803 -3.853 -1.315 1.00 0.00 N ATOM 1169 CA ALA A 75 105.090 -5.066 -2.131 1.00 0.00 C ATOM 1170 C ALA A 75 106.163 -5.902 -1.433 1.00 0.00 C ATOM 1171 O ALA A 75 106.014 -7.094 -1.252 1.00 0.00 O ATOM 1172 CB ALA A 75 105.592 -4.644 -3.513 1.00 0.00 C ATOM 0 H ALA A 75 104.968 -2.963 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 75 104.180 -5.656 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 75 105.802 -5.531 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.829 -4.044 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.503 -4.055 -3.405 1.00 0.00 H new ATOM 1178 N ILE A 76 107.242 -5.286 -1.033 1.00 0.00 N ATOM 1179 CA ILE A 76 108.321 -6.048 -0.345 1.00 0.00 C ATOM 1180 C ILE A 76 107.707 -6.895 0.771 1.00 0.00 C ATOM 1181 O ILE A 76 108.063 -8.041 0.962 1.00 0.00 O ATOM 1182 CB ILE A 76 109.334 -5.070 0.251 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.181 -4.468 -0.872 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.244 -5.811 1.233 1.00 0.00 C ATOM 1185 CD1 ILE A 76 111.039 -3.332 -0.311 1.00 0.00 C ATOM 0 H ILE A 76 107.422 -4.289 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 76 108.825 -6.698 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 76 108.805 -4.275 0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.818 -5.235 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.536 -4.093 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.966 -5.113 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.642 -6.242 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.773 -6.607 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.643 -2.903 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.393 -2.561 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.694 -3.721 0.469 1.00 0.00 H new ATOM 1197 N PHE A 77 106.784 -6.341 1.509 1.00 0.00 N ATOM 1198 CA PHE A 77 106.146 -7.116 2.610 1.00 0.00 C ATOM 1199 C PHE A 77 105.426 -8.331 2.022 1.00 0.00 C ATOM 1200 O PHE A 77 105.543 -9.433 2.519 1.00 0.00 O ATOM 1201 CB PHE A 77 105.137 -6.227 3.343 1.00 0.00 C ATOM 1202 CG PHE A 77 105.830 -5.494 4.468 1.00 0.00 C ATOM 1203 CD1 PHE A 77 106.914 -4.652 4.193 1.00 0.00 C ATOM 1204 CD2 PHE A 77 105.388 -5.659 5.787 1.00 0.00 C ATOM 1205 CE1 PHE A 77 107.556 -3.974 5.235 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.031 -4.979 6.829 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.114 -4.138 6.555 1.00 0.00 C ATOM 0 H PHE A 77 106.445 -5.386 1.397 1.00 0.00 H new ATOM 0 HA PHE A 77 106.910 -7.450 3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.695 -5.513 2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.322 -6.834 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 77 107.255 -4.526 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 77 104.553 -6.310 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 77 108.392 -3.324 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 77 105.690 -5.104 7.846 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.609 -3.615 7.360 1.00 0.00 H new ATOM 1217 N THR A 78 104.684 -8.139 0.965 1.00 0.00 N ATOM 1218 CA THR A 78 103.962 -9.283 0.345 1.00 0.00 C ATOM 1219 C THR A 78 104.976 -10.306 -0.168 1.00 0.00 C ATOM 1220 O THR A 78 104.788 -11.502 -0.049 1.00 0.00 O ATOM 1221 CB THR A 78 103.115 -8.774 -0.823 1.00 0.00 C ATOM 1222 OG1 THR A 78 102.125 -7.879 -0.334 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.438 -9.956 -1.518 1.00 0.00 C ATOM 0 H THR A 78 104.548 -7.239 0.505 1.00 0.00 H new ATOM 0 HA THR A 78 103.316 -9.753 1.086 1.00 0.00 H new ATOM 0 HB THR A 78 103.755 -8.254 -1.536 1.00 0.00 H new ATOM 0 HG1 THR A 78 101.583 -7.551 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.835 -9.592 -2.350 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.198 -10.641 -1.893 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.798 -10.478 -0.807 1.00 0.00 H new ATOM 1231 N VAL A 79 106.051 -9.844 -0.742 1.00 0.00 N ATOM 1232 CA VAL A 79 107.079 -10.783 -1.269 1.00 0.00 C ATOM 1233 C VAL A 79 107.747 -11.520 -0.107 1.00 0.00 C ATOM 1234 O VAL A 79 108.156 -12.658 -0.235 1.00 0.00 O ATOM 1235 CB VAL A 79 108.134 -9.997 -2.048 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.094 -10.971 -2.732 1.00 0.00 C ATOM 1237 CG2 VAL A 79 107.450 -9.127 -3.105 1.00 0.00 C ATOM 0 H VAL A 79 106.262 -8.854 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 79 106.602 -11.508 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 79 108.691 -9.360 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 79 109.846 -10.411 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 79 109.584 -11.588 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 79 108.537 -11.609 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 79 108.204 -8.568 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 79 106.891 -9.762 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 79 106.767 -8.431 -2.617 1.00 0.00 H new ATOM 1247 N GLN A 80 107.866 -10.884 1.023 1.00 0.00 N ATOM 1248 CA GLN A 80 108.512 -11.553 2.187 1.00 0.00 C ATOM 1249 C GLN A 80 107.621 -12.701 2.668 1.00 0.00 C ATOM 1250 O GLN A 80 108.014 -13.853 2.652 1.00 0.00 O ATOM 1251 CB GLN A 80 108.706 -10.537 3.320 1.00 0.00 C ATOM 1252 CG GLN A 80 110.200 -10.339 3.585 1.00 0.00 C ATOM 1253 CD GLN A 80 110.782 -11.610 4.206 1.00 0.00 C ATOM 1254 OE1 GLN A 80 110.782 -11.768 5.411 1.00 0.00 O ATOM 1255 NE2 GLN A 80 111.281 -12.532 3.429 1.00 0.00 N ATOM 0 H GLN A 80 107.545 -9.931 1.192 1.00 0.00 H new ATOM 0 HA GLN A 80 109.484 -11.948 1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 80 108.245 -9.586 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 80 108.210 -10.888 4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 80 110.717 -10.107 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 80 110.352 -9.492 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 80 111.282 -12.401 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 80 111.670 -13.384 3.833 1.00 0.00 H new ATOM 1264 N LEU A 81 106.424 -12.403 3.093 1.00 0.00 N ATOM 1265 CA LEU A 81 105.523 -13.487 3.566 1.00 0.00 C ATOM 1266 C LEU A 81 105.409 -14.546 2.471 1.00 0.00 C ATOM 1267 O LEU A 81 105.191 -15.712 2.739 1.00 0.00 O ATOM 1268 CB LEU A 81 104.138 -12.911 3.890 1.00 0.00 C ATOM 1269 CG LEU A 81 103.318 -12.757 2.603 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.495 -14.027 2.354 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.372 -11.564 2.744 1.00 0.00 C ATOM 0 H LEU A 81 106.034 -11.461 3.133 1.00 0.00 H new ATOM 0 HA LEU A 81 105.931 -13.938 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.616 -13.567 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 81 104.243 -11.944 4.381 1.00 0.00 H new ATOM 0 HG LEU A 81 103.995 -12.595 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 81 101.915 -13.911 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.165 -14.881 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.819 -14.193 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.788 -11.453 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.700 -11.730 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 81 102.953 -10.658 2.916 1.00 0.00 H new ATOM 1283 N ASP A 82 105.563 -14.154 1.233 1.00 0.00 N ATOM 1284 CA ASP A 82 105.470 -15.145 0.127 1.00 0.00 C ATOM 1285 C ASP A 82 106.588 -16.172 0.284 1.00 0.00 C ATOM 1286 O ASP A 82 106.344 -17.360 0.330 1.00 0.00 O ATOM 1287 CB ASP A 82 105.611 -14.429 -1.219 1.00 0.00 C ATOM 1288 CG ASP A 82 105.100 -15.340 -2.336 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.649 -16.417 -2.495 1.00 0.00 O ATOM 1290 OD2 ASP A 82 104.168 -14.942 -3.016 1.00 0.00 O ATOM 0 H ASP A 82 105.748 -13.194 0.943 1.00 0.00 H new ATOM 0 HA ASP A 82 104.503 -15.647 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 82 105.046 -13.497 -1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.654 -14.168 -1.397 1.00 0.00 H new ATOM 1295 N ASP A 83 107.812 -15.732 0.379 1.00 0.00 N ATOM 1296 CA ASP A 83 108.924 -16.705 0.549 1.00 0.00 C ATOM 1297 C ASP A 83 108.613 -17.579 1.759 1.00 0.00 C ATOM 1298 O ASP A 83 108.914 -18.754 1.788 1.00 0.00 O ATOM 1299 CB ASP A 83 110.241 -15.959 0.770 1.00 0.00 C ATOM 1300 CG ASP A 83 110.760 -15.432 -0.569 1.00 0.00 C ATOM 1301 OD1 ASP A 83 111.941 -15.594 -0.828 1.00 0.00 O ATOM 1302 OD2 ASP A 83 109.968 -14.877 -1.312 1.00 0.00 O ATOM 0 H ASP A 83 108.088 -14.750 0.347 1.00 0.00 H new ATOM 0 HA ASP A 83 109.022 -17.322 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.091 -15.133 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 83 110.977 -16.625 1.221 1.00 0.00 H new ATOM 1307 N TYR A 84 107.989 -17.011 2.753 1.00 0.00 N ATOM 1308 CA TYR A 84 107.633 -17.805 3.956 1.00 0.00 C ATOM 1309 C TYR A 84 106.396 -18.646 3.631 1.00 0.00 C ATOM 1310 O TYR A 84 106.173 -19.689 4.213 1.00 0.00 O ATOM 1311 CB TYR A 84 107.327 -16.862 5.123 1.00 0.00 C ATOM 1312 CG TYR A 84 106.555 -17.604 6.187 1.00 0.00 C ATOM 1313 CD1 TYR A 84 107.134 -18.699 6.839 1.00 0.00 C ATOM 1314 CD2 TYR A 84 105.257 -17.197 6.522 1.00 0.00 C ATOM 1315 CE1 TYR A 84 106.416 -19.386 7.826 1.00 0.00 C ATOM 1316 CE2 TYR A 84 104.539 -17.884 7.508 1.00 0.00 C ATOM 1317 CZ TYR A 84 105.120 -18.979 8.159 1.00 0.00 C ATOM 1318 OH TYR A 84 104.412 -19.656 9.132 1.00 0.00 O ATOM 0 H TYR A 84 107.711 -16.030 2.782 1.00 0.00 H new ATOM 0 HA TYR A 84 108.462 -18.454 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 84 108.255 -16.470 5.540 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.750 -16.007 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 84 108.134 -19.014 6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 84 104.810 -16.352 6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 84 106.863 -20.230 8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 84 103.538 -17.570 7.766 1.00 0.00 H new ATOM 0 HH TYR A 84 103.530 -19.244 9.241 1.00 0.00 H new ATOM 1328 N LEU A 85 105.593 -18.196 2.701 1.00 0.00 N ATOM 1329 CA LEU A 85 104.376 -18.965 2.329 1.00 0.00 C ATOM 1330 C LEU A 85 104.427 -19.312 0.840 1.00 0.00 C ATOM 1331 O LEU A 85 103.414 -19.378 0.174 1.00 0.00 O ATOM 1332 CB LEU A 85 103.130 -18.121 2.617 1.00 0.00 C ATOM 1333 CG LEU A 85 102.720 -18.298 4.080 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.966 -17.053 4.554 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.809 -19.522 4.210 1.00 0.00 C ATOM 0 H LEU A 85 105.731 -17.327 2.185 1.00 0.00 H new ATOM 0 HA LEU A 85 104.334 -19.884 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.334 -17.070 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 85 102.314 -18.423 1.961 1.00 0.00 H new ATOM 0 HG LEU A 85 103.611 -18.439 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.674 -17.179 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.611 -16.180 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 85 101.075 -16.912 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.516 -19.649 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 85 100.918 -19.379 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.343 -20.410 3.872 1.00 0.00 H new ATOM 1347 N ASN A 86 105.600 -19.538 0.313 1.00 0.00 N ATOM 1348 CA ASN A 86 105.711 -19.883 -1.131 1.00 0.00 C ATOM 1349 C ASN A 86 105.151 -21.285 -1.350 1.00 0.00 C ATOM 1350 O ASN A 86 105.513 -21.977 -2.281 1.00 0.00 O ATOM 1351 CB ASN A 86 107.180 -19.840 -1.559 1.00 0.00 C ATOM 1352 CG ASN A 86 107.267 -19.545 -3.059 1.00 0.00 C ATOM 1353 OD1 ASN A 86 107.147 -20.438 -3.873 1.00 0.00 O ATOM 1354 ND2 ASN A 86 107.473 -18.320 -3.458 1.00 0.00 N ATOM 0 H ASN A 86 106.484 -19.498 0.820 1.00 0.00 H new ATOM 0 HA ASN A 86 105.147 -19.165 -1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 86 107.712 -19.073 -0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.663 -20.792 -1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 86 107.533 -18.112 -4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 86 107.574 -17.571 -2.773 1.00 0.00 H new ATOM 1361 N GLY A 87 104.268 -21.701 -0.493 1.00 0.00 N ATOM 1362 CA GLY A 87 103.665 -23.057 -0.631 1.00 0.00 C ATOM 1363 C GLY A 87 102.763 -23.094 -1.868 1.00 0.00 C ATOM 1364 O GLY A 87 101.839 -23.878 -1.948 1.00 0.00 O ATOM 0 H GLY A 87 103.933 -21.159 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 87 104.450 -23.808 -0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 87 103.087 -23.302 0.260 1.00 0.00 H new ATOM 1368 N ARG A 88 103.028 -22.254 -2.831 1.00 0.00 N ATOM 1369 CA ARG A 88 102.190 -22.240 -4.066 1.00 0.00 C ATOM 1370 C ARG A 88 100.907 -21.446 -3.810 1.00 0.00 C ATOM 1371 O ARG A 88 99.852 -21.776 -4.316 1.00 0.00 O ATOM 1372 CB ARG A 88 101.837 -23.676 -4.464 1.00 0.00 C ATOM 1373 CG ARG A 88 101.723 -23.775 -5.988 1.00 0.00 C ATOM 1374 CD ARG A 88 101.527 -25.238 -6.400 1.00 0.00 C ATOM 1375 NE ARG A 88 100.251 -25.373 -7.157 1.00 0.00 N ATOM 1376 CZ ARG A 88 100.070 -26.388 -7.956 1.00 0.00 C ATOM 1377 NH1 ARG A 88 98.952 -26.507 -8.618 1.00 0.00 N ATOM 1378 NH2 ARG A 88 101.008 -27.286 -8.093 1.00 0.00 N ATOM 0 H ARG A 88 103.789 -21.575 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 88 102.748 -21.769 -4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 88 102.602 -24.363 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 88 100.897 -23.972 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 88 100.885 -23.173 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 88 102.622 -23.373 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 88 102.364 -25.569 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 88 101.508 -25.876 -5.517 1.00 0.00 H new ATOM 0 HE ARG A 88 99.518 -24.671 -7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 88 98.219 -25.806 -8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 88 98.811 -27.301 -9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 88 101.882 -27.194 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 88 100.867 -28.080 -8.718 1.00 0.00 H new ATOM 1392 N ALA A 89 100.986 -20.399 -3.034 1.00 0.00 N ATOM 1393 CA ALA A 89 99.769 -19.585 -2.756 1.00 0.00 C ATOM 1394 C ALA A 89 99.414 -18.772 -4.003 1.00 0.00 C ATOM 1395 O ALA A 89 100.087 -18.847 -5.011 1.00 0.00 O ATOM 1396 CB ALA A 89 100.039 -18.639 -1.584 1.00 0.00 C ATOM 0 H ALA A 89 101.840 -20.073 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 89 98.939 -20.243 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.147 -18.045 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.295 -19.221 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 89 100.867 -17.976 -1.835 1.00 0.00 H new ATOM 1402 N VAL A 90 98.360 -18.001 -3.948 1.00 0.00 N ATOM 1403 CA VAL A 90 97.965 -17.192 -5.138 1.00 0.00 C ATOM 1404 C VAL A 90 98.068 -15.702 -4.811 1.00 0.00 C ATOM 1405 O VAL A 90 97.433 -15.210 -3.899 1.00 0.00 O ATOM 1406 CB VAL A 90 96.523 -17.529 -5.524 1.00 0.00 C ATOM 1407 CG1 VAL A 90 96.244 -17.029 -6.942 1.00 0.00 C ATOM 1408 CG2 VAL A 90 96.324 -19.045 -5.471 1.00 0.00 C ATOM 0 H VAL A 90 97.757 -17.897 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 90 98.632 -17.424 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 90 95.838 -17.046 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 90 95.217 -17.269 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 90 96.387 -15.949 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 90 96.929 -17.512 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 90 95.297 -19.287 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 90 97.009 -19.527 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 90 96.523 -19.403 -4.461 1.00 0.00 H new ATOM 1418 N GLN A 91 98.859 -14.978 -5.554 1.00 0.00 N ATOM 1419 CA GLN A 91 99.000 -13.517 -5.294 1.00 0.00 C ATOM 1420 C GLN A 91 98.087 -12.748 -6.250 1.00 0.00 C ATOM 1421 O GLN A 91 97.918 -13.124 -7.392 1.00 0.00 O ATOM 1422 CB GLN A 91 100.454 -13.096 -5.526 1.00 0.00 C ATOM 1423 CG GLN A 91 101.390 -14.213 -5.062 1.00 0.00 C ATOM 1424 CD GLN A 91 102.838 -13.723 -5.118 1.00 0.00 C ATOM 1425 OE1 GLN A 91 103.197 -12.776 -4.448 1.00 0.00 O ATOM 1426 NE2 GLN A 91 103.690 -14.332 -5.897 1.00 0.00 N ATOM 0 H GLN A 91 99.415 -15.335 -6.331 1.00 0.00 H new ATOM 0 HA GLN A 91 98.721 -13.298 -4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 91 100.618 -12.885 -6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 91 100.669 -12.177 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 91 101.137 -14.515 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 91 101.267 -15.091 -5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 91 103.388 -15.127 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 91 104.658 -14.012 -5.943 1.00 0.00 H new ATOM 1435 N HIS A 92 97.495 -11.675 -5.796 1.00 0.00 N ATOM 1436 CA HIS A 92 96.592 -10.890 -6.687 1.00 0.00 C ATOM 1437 C HIS A 92 97.118 -9.461 -6.816 1.00 0.00 C ATOM 1438 O HIS A 92 97.686 -8.912 -5.891 1.00 0.00 O ATOM 1439 CB HIS A 92 95.185 -10.862 -6.091 1.00 0.00 C ATOM 1440 CG HIS A 92 94.556 -12.222 -6.213 1.00 0.00 C ATOM 1441 ND1 HIS A 92 93.472 -12.463 -7.049 1.00 0.00 N ATOM 1442 CD2 HIS A 92 94.838 -13.423 -5.609 1.00 0.00 C ATOM 1443 CE1 HIS A 92 93.147 -13.762 -6.926 1.00 0.00 C ATOM 1444 NE2 HIS A 92 93.947 -14.389 -6.062 1.00 0.00 N ATOM 0 H HIS A 92 97.597 -11.309 -4.849 1.00 0.00 H new ATOM 0 HA HIS A 92 96.561 -11.356 -7.672 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.229 -10.564 -5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.575 -10.121 -6.608 1.00 0.00 H new ATOM 0 HD2 HIS A 92 95.629 -13.591 -4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 92 92.339 -14.239 -7.460 1.00 0.00 H new ATOM 0 HE2 HIS A 92 93.912 -15.372 -5.791 1.00 0.00 H new ATOM 1452 N ARG A 93 96.934 -8.852 -7.956 1.00 0.00 N ATOM 1453 CA ARG A 93 97.420 -7.457 -8.150 1.00 0.00 C ATOM 1454 C ARG A 93 96.231 -6.529 -8.396 1.00 0.00 C ATOM 1455 O ARG A 93 95.673 -6.492 -9.475 1.00 0.00 O ATOM 1456 CB ARG A 93 98.366 -7.404 -9.354 1.00 0.00 C ATOM 1457 CG ARG A 93 97.688 -8.036 -10.572 1.00 0.00 C ATOM 1458 CD ARG A 93 98.757 -8.553 -11.539 1.00 0.00 C ATOM 1459 NE ARG A 93 99.904 -7.602 -11.567 1.00 0.00 N ATOM 1460 CZ ARG A 93 101.071 -8.000 -11.994 1.00 0.00 C ATOM 1461 NH1 ARG A 93 102.076 -7.169 -12.017 1.00 0.00 N ATOM 1462 NH2 ARG A 93 101.234 -9.231 -12.396 1.00 0.00 N ATOM 0 H ARG A 93 96.466 -9.263 -8.764 1.00 0.00 H new ATOM 0 HA ARG A 93 97.953 -7.135 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 93 98.636 -6.370 -9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 93 99.291 -7.933 -9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 93 97.040 -8.854 -10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 93 97.055 -7.302 -11.071 1.00 0.00 H new ATOM 0 HD2 ARG A 93 99.097 -9.541 -11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 93 98.336 -8.661 -12.539 1.00 0.00 H new ATOM 0 HE ARG A 93 99.777 -6.640 -11.252 1.00 0.00 H new ATOM 0 HH11 ARG A 93 101.950 -6.207 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 93 102.988 -7.481 -12.351 1.00 0.00 H new ATOM 0 HH21 ARG A 93 100.449 -9.882 -12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 93 102.146 -9.542 -12.730 1.00 0.00 H new ATOM 1476 N GLU A 94 95.839 -5.776 -7.404 1.00 0.00 N ATOM 1477 CA GLU A 94 94.687 -4.847 -7.579 1.00 0.00 C ATOM 1478 C GLU A 94 95.179 -3.401 -7.483 1.00 0.00 C ATOM 1479 O GLU A 94 96.076 -3.090 -6.727 1.00 0.00 O ATOM 1480 CB GLU A 94 93.652 -5.109 -6.484 1.00 0.00 C ATOM 1481 CG GLU A 94 93.180 -6.562 -6.562 1.00 0.00 C ATOM 1482 CD GLU A 94 92.346 -6.896 -5.324 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.712 -7.821 -4.619 1.00 0.00 O ATOM 1484 OE2 GLU A 94 91.355 -6.220 -5.102 1.00 0.00 O ATOM 0 H GLU A 94 96.268 -5.764 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 94 94.232 -5.011 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.086 -4.909 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 94 92.804 -4.434 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 94 92.588 -6.715 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.038 -7.231 -6.627 1.00 0.00 H new ATOM 1491 N VAL A 95 94.597 -2.515 -8.246 1.00 0.00 N ATOM 1492 CA VAL A 95 95.032 -1.091 -8.198 1.00 0.00 C ATOM 1493 C VAL A 95 93.838 -0.185 -8.506 1.00 0.00 C ATOM 1494 O VAL A 95 92.754 -0.647 -8.802 1.00 0.00 O ATOM 1495 CB VAL A 95 96.131 -0.858 -9.236 1.00 0.00 C ATOM 1496 CG1 VAL A 95 96.632 0.583 -9.136 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.292 -1.820 -8.973 1.00 0.00 C ATOM 0 H VAL A 95 93.840 -2.716 -8.899 1.00 0.00 H new ATOM 0 HA VAL A 95 95.417 -0.861 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 95 95.730 -1.034 -10.234 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.415 0.748 -9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 95 95.806 1.269 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.033 0.760 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 95 98.076 -1.655 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.692 -1.643 -7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.936 -2.848 -9.045 1.00 0.00 H new ATOM 1507 N GLN A 96 94.028 1.106 -8.438 1.00 0.00 N ATOM 1508 CA GLN A 96 92.904 2.040 -8.726 1.00 0.00 C ATOM 1509 C GLN A 96 92.538 1.955 -10.210 1.00 0.00 C ATOM 1510 O GLN A 96 93.337 2.252 -11.076 1.00 0.00 O ATOM 1511 CB GLN A 96 93.332 3.471 -8.389 1.00 0.00 C ATOM 1512 CG GLN A 96 92.149 4.420 -8.592 1.00 0.00 C ATOM 1513 CD GLN A 96 91.061 4.107 -7.564 1.00 0.00 C ATOM 1514 OE1 GLN A 96 89.986 3.662 -7.917 1.00 0.00 O ATOM 1515 NE2 GLN A 96 91.292 4.324 -6.297 1.00 0.00 N ATOM 0 H GLN A 96 94.913 1.552 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 96 92.039 1.766 -8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.681 3.524 -7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 96 94.166 3.771 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.477 5.454 -8.487 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.752 4.312 -9.601 1.00 0.00 H new ATOM 0 HE21 GLN A 96 92.193 4.697 -6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 96 90.571 4.120 -5.605 1.00 0.00 H new ATOM 1524 N GLY A 97 91.333 1.552 -10.510 1.00 0.00 N ATOM 1525 CA GLY A 97 90.916 1.450 -11.938 1.00 0.00 C ATOM 1526 C GLY A 97 91.476 0.162 -12.544 1.00 0.00 C ATOM 1527 O GLY A 97 91.446 -0.036 -13.742 1.00 0.00 O ATOM 0 H GLY A 97 90.620 1.289 -9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 97 89.828 1.456 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 97 91.278 2.314 -12.496 1.00 0.00 H new ATOM 1531 N PHE A 98 91.989 -0.718 -11.726 1.00 0.00 N ATOM 1532 CA PHE A 98 92.549 -1.992 -12.258 1.00 0.00 C ATOM 1533 C PHE A 98 92.192 -3.141 -11.312 1.00 0.00 C ATOM 1534 O PHE A 98 92.806 -4.190 -11.332 1.00 0.00 O ATOM 1535 CB PHE A 98 94.075 -1.870 -12.369 1.00 0.00 C ATOM 1536 CG PHE A 98 94.533 -2.403 -13.706 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.441 -3.773 -13.983 1.00 0.00 C ATOM 1538 CD2 PHE A 98 95.052 -1.528 -14.669 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.865 -4.266 -15.222 1.00 0.00 C ATOM 1540 CE2 PHE A 98 95.475 -2.022 -15.908 1.00 0.00 C ATOM 1541 CZ PHE A 98 95.382 -3.391 -16.185 1.00 0.00 C ATOM 0 H PHE A 98 92.044 -0.609 -10.713 1.00 0.00 H new ATOM 0 HA PHE A 98 92.129 -2.193 -13.243 1.00 0.00 H new ATOM 0 HB2 PHE A 98 94.375 -0.828 -12.260 1.00 0.00 H new ATOM 0 HB3 PHE A 98 94.553 -2.425 -11.562 1.00 0.00 H new ATOM 0 HD1 PHE A 98 94.043 -4.449 -13.240 1.00 0.00 H new ATOM 0 HD2 PHE A 98 95.126 -0.472 -14.455 1.00 0.00 H new ATOM 0 HE1 PHE A 98 94.793 -5.322 -15.436 1.00 0.00 H new ATOM 0 HE2 PHE A 98 95.873 -1.347 -16.651 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.709 -3.772 -17.141 1.00 0.00 H new ATOM 1551 N GLU A 99 91.202 -2.954 -10.482 1.00 0.00 N ATOM 1552 CA GLU A 99 90.808 -4.036 -9.537 1.00 0.00 C ATOM 1553 C GLU A 99 90.801 -5.379 -10.271 1.00 0.00 C ATOM 1554 O GLU A 99 90.788 -5.433 -11.484 1.00 0.00 O ATOM 1555 CB GLU A 99 89.408 -3.748 -8.988 1.00 0.00 C ATOM 1556 CG GLU A 99 89.482 -2.611 -7.969 1.00 0.00 C ATOM 1557 CD GLU A 99 88.104 -1.963 -7.822 1.00 0.00 C ATOM 1558 OE1 GLU A 99 87.641 -1.847 -6.700 1.00 0.00 O ATOM 1559 OE2 GLU A 99 87.535 -1.595 -8.837 1.00 0.00 O ATOM 0 H GLU A 99 90.650 -2.099 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 99 91.521 -4.076 -8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.736 -3.477 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 99 88.998 -4.643 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 99 89.820 -2.994 -7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 99 90.212 -1.868 -8.290 1.00 0.00 H new ATOM 1566 N SER A 100 90.813 -6.463 -9.544 1.00 0.00 N ATOM 1567 CA SER A 100 90.811 -7.801 -10.200 1.00 0.00 C ATOM 1568 C SER A 100 89.392 -8.375 -10.181 1.00 0.00 C ATOM 1569 O SER A 100 88.519 -7.875 -9.500 1.00 0.00 O ATOM 1570 CB SER A 100 91.750 -8.742 -9.447 1.00 0.00 C ATOM 1571 OG SER A 100 93.097 -8.375 -9.718 1.00 0.00 O ATOM 0 H SER A 100 90.824 -6.480 -8.524 1.00 0.00 H new ATOM 0 HA SER A 100 91.150 -7.700 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 100 91.555 -8.689 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 100 91.573 -9.773 -9.753 1.00 0.00 H new ATOM 0 HG SER A 100 93.703 -8.975 -9.235 1.00 0.00 H new ATOM 1577 N ALA A 101 89.156 -9.422 -10.922 1.00 0.00 N ATOM 1578 CA ALA A 101 87.794 -10.027 -10.946 1.00 0.00 C ATOM 1579 C ALA A 101 87.519 -10.716 -9.608 1.00 0.00 C ATOM 1580 O ALA A 101 86.502 -10.492 -8.981 1.00 0.00 O ATOM 1581 CB ALA A 101 87.713 -11.056 -12.076 1.00 0.00 C ATOM 0 H ALA A 101 89.847 -9.885 -11.512 1.00 0.00 H new ATOM 0 HA ALA A 101 87.052 -9.246 -11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 101 86.717 -11.499 -12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 101 87.909 -10.566 -13.029 1.00 0.00 H new ATOM 0 HB3 ALA A 101 88.455 -11.837 -11.910 1.00 0.00 H new ATOM 1587 N THR A 102 88.416 -11.554 -9.163 1.00 0.00 N ATOM 1588 CA THR A 102 88.201 -12.253 -7.866 1.00 0.00 C ATOM 1589 C THR A 102 87.752 -11.242 -6.814 1.00 0.00 C ATOM 1590 O THR A 102 86.683 -11.355 -6.244 1.00 0.00 O ATOM 1591 CB THR A 102 89.509 -12.911 -7.417 1.00 0.00 C ATOM 1592 OG1 THR A 102 90.121 -13.550 -8.528 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.216 -13.944 -6.328 1.00 0.00 C ATOM 0 H THR A 102 89.287 -11.784 -9.642 1.00 0.00 H new ATOM 0 HA THR A 102 87.434 -13.018 -7.987 1.00 0.00 H new ATOM 0 HB THR A 102 90.181 -12.150 -7.020 1.00 0.00 H new ATOM 0 HG1 THR A 102 90.502 -14.407 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 102 90.148 -14.411 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.747 -13.452 -5.476 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.544 -14.706 -6.721 1.00 0.00 H new ATOM 1601 N PHE A 103 88.558 -10.255 -6.553 1.00 0.00 N ATOM 1602 CA PHE A 103 88.182 -9.231 -5.538 1.00 0.00 C ATOM 1603 C PHE A 103 86.806 -8.656 -5.884 1.00 0.00 C ATOM 1604 O PHE A 103 85.916 -8.607 -5.055 1.00 0.00 O ATOM 1605 CB PHE A 103 89.222 -8.107 -5.539 1.00 0.00 C ATOM 1606 CG PHE A 103 89.289 -7.480 -4.167 1.00 0.00 C ATOM 1607 CD1 PHE A 103 88.702 -6.231 -3.939 1.00 0.00 C ATOM 1608 CD2 PHE A 103 89.938 -8.151 -3.122 1.00 0.00 C ATOM 1609 CE1 PHE A 103 88.762 -5.651 -2.666 1.00 0.00 C ATOM 1610 CE2 PHE A 103 89.999 -7.570 -1.850 1.00 0.00 C ATOM 1611 CZ PHE A 103 89.412 -6.320 -1.621 1.00 0.00 C ATOM 0 H PHE A 103 89.464 -10.111 -6.999 1.00 0.00 H new ATOM 0 HA PHE A 103 88.146 -9.691 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 103 90.199 -8.502 -5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 103 88.958 -7.354 -6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 103 88.202 -5.714 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 103 90.391 -9.116 -3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 103 88.307 -4.688 -2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 103 90.499 -8.087 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 103 89.460 -5.872 -0.640 1.00 0.00 H new ATOM 1621 N LEU A 104 86.623 -8.223 -7.101 1.00 0.00 N ATOM 1622 CA LEU A 104 85.304 -7.656 -7.498 1.00 0.00 C ATOM 1623 C LEU A 104 84.204 -8.662 -7.157 1.00 0.00 C ATOM 1624 O LEU A 104 83.042 -8.320 -7.066 1.00 0.00 O ATOM 1625 CB LEU A 104 85.298 -7.377 -9.004 1.00 0.00 C ATOM 1626 CG LEU A 104 85.828 -5.966 -9.265 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.393 -5.886 -10.684 1.00 0.00 C ATOM 1628 CD2 LEU A 104 84.687 -4.957 -9.114 1.00 0.00 C ATOM 0 H LEU A 104 87.329 -8.237 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 104 85.127 -6.724 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.915 -8.110 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.287 -7.476 -9.399 1.00 0.00 H new ATOM 0 HG LEU A 104 86.615 -5.736 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.770 -4.880 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.206 -6.604 -10.793 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.606 -6.116 -11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.064 -3.951 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 104 83.900 -5.188 -9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 104 84.284 -5.012 -8.103 1.00 0.00 H new ATOM 1640 N GLY A 105 84.564 -9.901 -6.966 1.00 0.00 N ATOM 1641 CA GLY A 105 83.542 -10.931 -6.625 1.00 0.00 C ATOM 1642 C GLY A 105 83.477 -11.091 -5.107 1.00 0.00 C ATOM 1643 O GLY A 105 82.492 -11.548 -4.562 1.00 0.00 O ATOM 0 H GLY A 105 85.522 -10.245 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.567 -10.636 -7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.797 -11.882 -7.092 1.00 0.00 H new ATOM 1647 N TYR A 106 84.521 -10.715 -4.417 1.00 0.00 N ATOM 1648 CA TYR A 106 84.521 -10.841 -2.933 1.00 0.00 C ATOM 1649 C TYR A 106 83.616 -9.764 -2.336 1.00 0.00 C ATOM 1650 O TYR A 106 82.973 -9.969 -1.325 1.00 0.00 O ATOM 1651 CB TYR A 106 85.946 -10.656 -2.404 1.00 0.00 C ATOM 1652 CG TYR A 106 86.661 -11.985 -2.386 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.421 -12.926 -3.396 1.00 0.00 C ATOM 1654 CD2 TYR A 106 87.567 -12.278 -1.359 1.00 0.00 C ATOM 1655 CE1 TYR A 106 87.086 -14.157 -3.377 1.00 0.00 C ATOM 1656 CE2 TYR A 106 88.232 -13.509 -1.341 1.00 0.00 C ATOM 1657 CZ TYR A 106 87.991 -14.448 -2.351 1.00 0.00 C ATOM 1658 OH TYR A 106 88.646 -15.663 -2.334 1.00 0.00 O ATOM 0 H TYR A 106 85.374 -10.326 -4.819 1.00 0.00 H new ATOM 0 HA TYR A 106 84.154 -11.828 -2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.488 -9.949 -3.032 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.919 -10.234 -1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 106 85.723 -12.701 -4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 106 87.753 -11.553 -0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.900 -14.883 -4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 106 88.930 -13.735 -0.549 1.00 0.00 H new ATOM 0 HH TYR A 106 89.486 -15.589 -2.833 1.00 0.00 H new ATOM 1668 N PHE A 107 83.563 -8.616 -2.953 1.00 0.00 N ATOM 1669 CA PHE A 107 82.703 -7.521 -2.421 1.00 0.00 C ATOM 1670 C PHE A 107 81.369 -8.102 -1.942 1.00 0.00 C ATOM 1671 O PHE A 107 80.532 -8.502 -2.728 1.00 0.00 O ATOM 1672 CB PHE A 107 82.458 -6.481 -3.522 1.00 0.00 C ATOM 1673 CG PHE A 107 81.364 -6.958 -4.450 1.00 0.00 C ATOM 1674 CD1 PHE A 107 80.239 -6.154 -4.676 1.00 0.00 C ATOM 1675 CD2 PHE A 107 81.472 -8.202 -5.084 1.00 0.00 C ATOM 1676 CE1 PHE A 107 79.225 -6.594 -5.534 1.00 0.00 C ATOM 1677 CE2 PHE A 107 80.459 -8.641 -5.942 1.00 0.00 C ATOM 1678 CZ PHE A 107 79.334 -7.838 -6.167 1.00 0.00 C ATOM 0 H PHE A 107 84.078 -8.388 -3.803 1.00 0.00 H new ATOM 0 HA PHE A 107 83.203 -7.040 -1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 107 82.178 -5.527 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 107 83.376 -6.312 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 107 80.154 -5.194 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 107 82.338 -8.823 -4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 107 78.358 -5.974 -5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 107 80.544 -9.600 -6.431 1.00 0.00 H new ATOM 0 HZ PHE A 107 78.551 -8.178 -6.828 1.00 0.00 H new ATOM 1688 N LYS A 108 81.164 -8.152 -0.654 1.00 0.00 N ATOM 1689 CA LYS A 108 79.887 -8.707 -0.119 1.00 0.00 C ATOM 1690 C LYS A 108 79.114 -7.599 0.602 1.00 0.00 C ATOM 1691 O LYS A 108 77.929 -7.420 0.397 1.00 0.00 O ATOM 1692 CB LYS A 108 80.194 -9.842 0.863 1.00 0.00 C ATOM 1693 CG LYS A 108 80.206 -11.177 0.116 1.00 0.00 C ATOM 1694 CD LYS A 108 80.415 -12.323 1.110 1.00 0.00 C ATOM 1695 CE LYS A 108 79.654 -13.561 0.634 1.00 0.00 C ATOM 1696 NZ LYS A 108 78.188 -13.306 0.720 1.00 0.00 N ATOM 0 H LYS A 108 81.827 -7.832 0.052 1.00 0.00 H new ATOM 0 HA LYS A 108 79.285 -9.094 -0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 108 81.159 -9.672 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 108 79.446 -9.864 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 108 79.266 -11.314 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 108 81.001 -11.180 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 108 81.477 -12.550 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 108 80.066 -12.028 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 108 79.933 -13.800 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 108 79.921 -14.423 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 77.693 -14.195 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 78.000 -12.614 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 77.847 -12.930 -0.188 1.00 0.00 H new ATOM 1710 N SER A 109 79.775 -6.856 1.447 1.00 0.00 N ATOM 1711 CA SER A 109 79.077 -5.761 2.180 1.00 0.00 C ATOM 1712 C SER A 109 79.079 -4.492 1.326 1.00 0.00 C ATOM 1713 O SER A 109 78.191 -3.669 1.418 1.00 0.00 O ATOM 1714 CB SER A 109 79.802 -5.489 3.498 1.00 0.00 C ATOM 1715 OG SER A 109 79.613 -6.592 4.375 1.00 0.00 O ATOM 0 H SER A 109 80.767 -6.959 1.662 1.00 0.00 H new ATOM 0 HA SER A 109 78.049 -6.059 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 109 80.865 -5.333 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 109 79.419 -4.576 3.955 1.00 0.00 H new ATOM 0 HG SER A 109 80.482 -6.897 4.709 1.00 0.00 H new ATOM 1721 N GLY A 110 80.074 -4.328 0.494 1.00 0.00 N ATOM 1722 CA GLY A 110 80.137 -3.114 -0.369 1.00 0.00 C ATOM 1723 C GLY A 110 81.425 -2.343 -0.074 1.00 0.00 C ATOM 1724 O GLY A 110 81.592 -1.779 0.989 1.00 0.00 O ATOM 0 H GLY A 110 80.846 -4.984 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.105 -3.400 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.270 -2.479 -0.185 1.00 0.00 H new ATOM 1728 N LEU A 111 82.338 -2.316 -1.008 1.00 0.00 N ATOM 1729 CA LEU A 111 83.615 -1.584 -0.790 1.00 0.00 C ATOM 1730 C LEU A 111 83.774 -0.503 -1.861 1.00 0.00 C ATOM 1731 O LEU A 111 83.068 -0.487 -2.850 1.00 0.00 O ATOM 1732 CB LEU A 111 84.788 -2.565 -0.875 1.00 0.00 C ATOM 1733 CG LEU A 111 84.740 -3.315 -2.213 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.702 -2.658 -3.208 1.00 0.00 C ATOM 1735 CD2 LEU A 111 85.157 -4.771 -1.997 1.00 0.00 C ATOM 0 H LEU A 111 82.252 -2.772 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 111 83.602 -1.119 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 111 85.732 -2.027 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 111 84.742 -3.274 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 111 83.725 -3.278 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.665 -3.193 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 111 85.410 -1.620 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 111 86.716 -2.693 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 111 85.123 -5.304 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 111 86.171 -4.804 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 111 84.474 -5.244 -1.291 1.00 0.00 H new ATOM 1747 N LYS A 112 84.696 0.401 -1.674 1.00 0.00 N ATOM 1748 CA LYS A 112 84.898 1.478 -2.683 1.00 0.00 C ATOM 1749 C LYS A 112 86.141 2.293 -2.323 1.00 0.00 C ATOM 1750 O LYS A 112 86.824 2.009 -1.359 1.00 0.00 O ATOM 1751 CB LYS A 112 83.674 2.398 -2.699 1.00 0.00 C ATOM 1752 CG LYS A 112 83.557 3.115 -1.352 1.00 0.00 C ATOM 1753 CD LYS A 112 82.167 3.740 -1.224 1.00 0.00 C ATOM 1754 CE LYS A 112 82.028 4.404 0.148 1.00 0.00 C ATOM 1755 NZ LYS A 112 80.586 4.582 0.471 1.00 0.00 N ATOM 0 H LYS A 112 85.318 0.440 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 112 85.031 1.030 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.764 3.127 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 112 82.772 1.818 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 112 83.727 2.411 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 112 84.323 3.886 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 112 82.014 4.476 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 112 81.400 2.975 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 112 82.509 3.791 0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 112 82.534 5.370 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 80.492 5.033 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 80.140 5.183 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 80.117 3.654 0.487 1.00 0.00 H new ATOM 1769 N TYR A 113 86.440 3.305 -3.091 1.00 0.00 N ATOM 1770 CA TYR A 113 87.640 4.139 -2.793 1.00 0.00 C ATOM 1771 C TYR A 113 87.227 5.338 -1.937 1.00 0.00 C ATOM 1772 O TYR A 113 86.194 5.940 -2.153 1.00 0.00 O ATOM 1773 CB TYR A 113 88.255 4.634 -4.104 1.00 0.00 C ATOM 1774 CG TYR A 113 87.997 3.624 -5.196 1.00 0.00 C ATOM 1775 CD1 TYR A 113 88.872 2.544 -5.374 1.00 0.00 C ATOM 1776 CD2 TYR A 113 86.882 3.766 -6.031 1.00 0.00 C ATOM 1777 CE1 TYR A 113 88.632 1.609 -6.386 1.00 0.00 C ATOM 1778 CE2 TYR A 113 86.643 2.830 -7.044 1.00 0.00 C ATOM 1779 CZ TYR A 113 87.517 1.751 -7.222 1.00 0.00 C ATOM 1780 OH TYR A 113 87.282 0.828 -8.220 1.00 0.00 O ATOM 0 H TYR A 113 85.906 3.591 -3.912 1.00 0.00 H new ATOM 0 HA TYR A 113 88.373 3.542 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 113 87.826 5.598 -4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.327 4.785 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 113 89.732 2.434 -4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 113 86.207 4.597 -5.894 1.00 0.00 H new ATOM 0 HE1 TYR A 113 89.307 0.777 -6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 113 85.784 2.940 -7.689 1.00 0.00 H new ATOM 0 HH TYR A 113 88.136 0.531 -8.599 1.00 0.00 H new ATOM 1790 N LYS A 114 88.026 5.689 -0.967 1.00 0.00 N ATOM 1791 CA LYS A 114 87.679 6.850 -0.100 1.00 0.00 C ATOM 1792 C LYS A 114 88.959 7.567 0.328 1.00 0.00 C ATOM 1793 O LYS A 114 89.690 7.100 1.178 1.00 0.00 O ATOM 1794 CB LYS A 114 86.931 6.354 1.140 1.00 0.00 C ATOM 1795 CG LYS A 114 86.104 7.499 1.728 1.00 0.00 C ATOM 1796 CD LYS A 114 85.459 7.042 3.039 1.00 0.00 C ATOM 1797 CE LYS A 114 84.738 8.221 3.692 1.00 0.00 C ATOM 1798 NZ LYS A 114 84.328 7.848 5.075 1.00 0.00 N ATOM 0 H LYS A 114 88.903 5.222 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 114 87.044 7.542 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 114 86.281 5.520 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 114 87.639 5.984 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 114 86.739 8.367 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 114 85.335 7.807 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 114 84.755 6.233 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 114 86.220 6.649 3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 114 85.392 9.092 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 114 83.863 8.497 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 83.837 8.650 5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 83.689 7.028 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 85.171 7.605 5.633 1.00 0.00 H new ATOM 1812 N LYS A 115 89.235 8.703 -0.251 1.00 0.00 N ATOM 1813 CA LYS A 115 90.468 9.451 0.123 1.00 0.00 C ATOM 1814 C LYS A 115 90.159 10.388 1.292 1.00 0.00 C ATOM 1815 O LYS A 115 89.048 10.851 1.452 1.00 0.00 O ATOM 1816 CB LYS A 115 90.951 10.272 -1.074 1.00 0.00 C ATOM 1817 CG LYS A 115 89.747 10.905 -1.776 1.00 0.00 C ATOM 1818 CD LYS A 115 90.236 11.890 -2.841 1.00 0.00 C ATOM 1819 CE LYS A 115 89.035 12.596 -3.473 1.00 0.00 C ATOM 1820 NZ LYS A 115 89.515 13.628 -4.435 1.00 0.00 N ATOM 0 H LYS A 115 88.660 9.146 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 115 91.246 8.746 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 115 91.641 11.047 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 115 91.498 9.635 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 115 89.133 10.131 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 115 89.119 11.421 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 115 90.908 12.622 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 115 90.805 11.362 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 115 88.402 11.872 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 115 88.424 13.061 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 88.699 14.108 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 90.102 14.325 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 90.080 13.172 -5.180 1.00 0.00 H new